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Sample records for single lamella structure

  1. Lithographically-generated 3D lamella layers and their structural color

    Science.gov (United States)

    Zhang, Sichao; Chen, Yifang; Lu, Bingrui; Liu, Jianpeng; Shao, Jinhai; Xu, Chen

    2016-04-01

    Inspired by the structural color from the multilayer nanophotonic structures in Morpho butterfly wing scales, 3D lamellae layers in dielectric polymers (polymethyl methacrylate, PMMA) with n ~ 1.5 were designed and fabricated by standard top-down electron beam lithography with one-step exposure followed by an alternating development/dissolution process of PMMA/LOR (lift-off resist) multilayers. This work offers direct proof of the structural blue/green color via lithographically-replicated PMMA/air multilayers, analogous to those in real Morpho butterfly wings. The success of nanolithography in this work for the 3D lamellae structures in dielectric polymers not only enables us to gain deeper insight into the mysterious blue color of the Morpho butterfly wings, but also breaks through the bottleneck in technical development toward broad applications in gas/liquid sensors, 3D meta-materials, coloring media, and infrared imaging devices, etc.

  2. Fabricating interstitial-free steel with simultaneous high strength and good ductility with homogeneous layer and lamella structure

    DEFF Research Database (Denmark)

    Zhang, Ling; Chen, Zhen-Zhe; Wang, Yuhui

    2017-01-01

    to cold rolled one) and a uniform elongation around 17% can be realized. Microstructural observation by electron back-scatter diffraction revealed a characteristic hierarchical layer + heterogeneous lamella structure, namely L2 structure. The reasons for the good mechanical properties were discussed....

  3. Hornet cuticle - a composite structure comprised of a series of duplex lamellae attenuating toward the interior of the body

    NARCIS (Netherlands)

    Ishay, JS; Kirshboim, S; Steinberg, D; Kalicharan, D; Jongebloed, WL

    Our study deals with the ultramicroscopic structure of the yellow pigmented cuticular stripes on the abdomen of the oriental hornet Vespa orientalis (Hymenoptera, Vespinae). The abdominal cuticle is composed of numerous (more than 25) lamellae which progressively attenuate as one proceeds from the

  4. Exsolution lamellae in volcanic pyroxene; Single phenocryst thermometry for long-lived magmatic reservoir

    Science.gov (United States)

    I Made, R.; Herrin, J. S.; Tay, Y. Y.; Costa Rodriguez, F.

    2017-12-01

    Comprehensive understanding of the relevant timescales of thermal and chemical evolution of magma below the active volcanoes can help us to better anticipate volcanic eruptions and their likely precursor signals. In recent years, several lines of thermochronological inquiry have converged on a realization that, within many volcanic systems, magmas experience prolonged periods of relatively low-temperature storage prior to eruption during short duration transient events. This prolonged storage at low magmatic temperatures can result in series of solid state phase transformations within minerals, producing a petrologic record of their thermal history. In this example, we observed pigeonite exsolution lamellae in augite phenocrysts from the 2011 eruption of Cordon Caulle volcano, Chile. The small size of these features ( 70nm width and bear exsolution textures and apply this knowledge to understanding the thermal conditions of magma storage in long-lived volcanic reservoirs.

  5. Formation process of lamella structures by deformation in an Fe-Mn-Si-Cr-Ni shape memory alloy

    International Nuclear Information System (INIS)

    Kikuchi, T.; Kajiwara, S.; Tomota, Y.

    1995-01-01

    For Fe-Mn-Si-Cr-Ni shape memory alloys, it was previously found by HREM study that the formation of the nanometric lamella structures consisting of f.c.c. and h.c.p. phase is very important to exhibit good shape memory effect. In the present work, the formation process of such lamella structures has been studied in detail. The results are as follows. The transformation is initiated by random formation of extremely thin martensite plates with 1-2 nm width and then these plates are clustered and some of them coalesce to form thicker martensite plates with increasing deformation. The clustered regions are 400-600 nm wide and will correspond to the above mentioned lamella structures. These clustered regions are considered also to correspond to the thinnest martensite plate observable with optical microscope. In the optical microscopic scale, the thin martenite plates with the smallest width are formed rather uniformly in an austenite grain, and with further increasing deformation, they are clustered and coalesce into thicker plates with 3-8 μm width. (orig.)

  6. Direct assembly of in situ templated CdSe quantum dots via crystalline lamellae structure of polyamide 66

    Energy Technology Data Exchange (ETDEWEB)

    Cheval, Nicolas; Brooks, Richard [University of Nottingham, Division of Materials, Mechanics and Structures, Faculty of Engineering (United Kingdom); Fahmi, Amir, E-mail: Amir.Fahmi@hochschule-Rhein-waal.de [Rhein-Waal University of Applied Sciences, Faculty of Technology and Bionics (Germany)

    2012-03-15

    A simple concept is proposed for templating in situ synthesised CdSe quantum dots (QDs) into an organised nano-pattern using the crystalline lamellae structure of polyamide 66 (PA66). The morphology obtained for PA66 and the hybrid material on Si/SiO{sub x} solid substrate was characterised by means of atomic force microscope. Controlling the PA66 concentration in solution and the organic-inorganic interactions are found to be the keys factors to direct the assembly of CdSe QDs along the PA66 linear crystalline structure. This simple approach could be opened a new avenue for a large spectrum of innovative high-tech applications.

  7. Organization of the rabbit vitreous body : Lamellae, Cloquet's channel and a novel structure, the 'alae canalis Cloqueti'

    NARCIS (Netherlands)

    Los, LI; van Luyn, MJA; Nieuwenhuis, P

    Even though the rabbit is a frequently used animal model for studies on Vitreous function and pathobiology, data on the structural organization of the rabbit Vitreous are scarce. The aim of the present study is to give a detailed description of rabbit vitreous structure in order to provide a basis

  8. Hierarchical micro-lamella-structured 3D porous copper current collector coated with tin for advanced lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hyeji [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Um, Ji Hyun [School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 151-742 (Korea, Republic of); Choi, Hyelim [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Yoon, Won-Sub [Department of Energy Science, Sungkyunkwan University, Suwon, 440-746 (Korea, Republic of); Sung, Yung-Eun [School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 151-742 (Korea, Republic of); Choe, Heeman, E-mail: heeman@kookmin.ac.kr [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Cellmotive Co. Ltd., #518, Engineering Building, Kookmin University, Seoul 136-702 (Korea, Republic of)

    2017-03-31

    Highlights: • Sn-Cu scaffold anode fabricated by freeze-casting and electroless plating. • Sn-Cu scaffold architecture shows superior capacity and cyclic stability at high current density. • Sn-Cu scaffold electrode is commercially promising. - Abstract: A Novel 3D porous Sn-Cu architecture is prepared as an anode material for use in an advanced lithium-ion battery. Micro-lamellar-structured 3D porous Cu foam, which is electroless-plated with Sn as an active material, is used as anode current collector. Compared to Sn-coated Cu foil, the 3D Sn-Cu foam exhibits superior Li-ion capacity and stable capacity retention, demonstrating the advantage of 3D porous architecture by preserving its structural integrity. In addition, the effect of heat-treatment after Sn plating is investigated. Sn/Sn{sub 6}Cu{sub 5} and SnO{sub 2}/Cu{sub 10}Sn{sub 3} were formed on and in the 3D Sn-Cu foam under the heat-treatment at 150 °C and 500 °C, respectively. The development of Cu{sub 10}Sn{sub 3} in the 3D Sn-Cu foam heat-treated at 500 °C can be a key factor for the enhanced cyclic stability because the Cu{sub 10}Sn{sub 3} inactively reacts with Li-ion and alleviates the volume expansion of SnO{sub 2} as an inactive matrix.

  9. Small-angle neutron scattering study of the ultrastructure of chloroplast thylakoid membranes - Periodicity and structural flexibility of the stroma lamellae

    DEFF Research Database (Denmark)

    Posselt, Dorthe; Nagy, Gergely; Kirkensgaard, Jacob J. K.

    2012-01-01

    The multilamellar organization of freshly isolated spinach and pea chloroplast thylakoid membranes was studied using small-angle neutron scattering. A broad peak at similar to 0.02 angstrom(-1) is ascribed to diffraction from domains of ordered, unappressed stroma lamellae, revealing a repeat dis...

  10. Modelling the acoustical response of lossy lamella-crystals

    DEFF Research Database (Denmark)

    Christensen, Johan; Mortensen, N. Asger; Willatzen, Morten

    2014-01-01

    The sound propagation properties of lossy lamella-crystals are analysed theoretically utilizing a rig- orous wave expansion formalism and an effective medium approach. We investigate both sup- ported and free-standing crystal slab structures and predict high absorption for a broad range...... of frequencies. A detailed derivation of the formalism is presented, and we show how the results obtained in the subwavelength and superwavelength regimes qualitatively can be reproduced by homogenizing the lamella-crystals. We come to the conclusion that treating this structure within the metamaterial limit...... only makes sense if the crystal filling fraction is sufficiently large to satisfy an effective medium approach....

  11. Spherical LDH-Ag°-montmorillonite heterocoagulated system with a pH-dependent sol-gel structure for controlled accessibility of AgNPs immobilized on the clay lamellae.

    Science.gov (United States)

    Deák, Ágota; Janovák, László; Tallósy, Szabolcs Péter; Bitó, Tamás; Sebők, Dániel; Buzás, Norbert; Pálinkó, István; Dékány, Imre

    2015-02-17

    Aqueous suspensions of spherical ZnMgAl-layered double hydroxides [LDH(sph)] and antibacterial silver nanoparticles (AgNPs) deposited on the lamellae of montmorillonite were used for the synthesis of composites, which behave like coherent gels at low pH (≲4.5) and incoherent sols at higher pH (≳4.5). The composition of the composite was chosen as LDH(sph)/Ag°-montm. = 25:75 wt % in order to ensure a sol-gel transition that can also be characterized by viscometry. This pH-sensitive heterocoagulated system consisting of oppositely charged colloid particles was suitable for the release of antimicrobial AgNPs immobilized on the clay lamellae via a pH-controlled gel-sol transition. The heterocoagulation process was also characterized by surface charge titration measurements. Spherical LDH/Ag°-montmorillonite composite samples were identified by X-ray diffraction (XRD) measurements. The morphological properties of the composites were studied, and the presence of the heterocoagulated structure was confirmed by scanning electron microscopy (SEM). The nanoscale structure of the LDH(sph)-Ag°-montmorillonite composite obtained was also verified by small-angle X-ray scattering (SAXS), and the rheological characteristics were studied at various pH values. The viscosity and yield value of the composite decreased by an order of magnitude upon increasing the pH from 3.0 to 5.5. The sol-gel transition of the composite suspension was reversible in the previously mentioned pH range.

  12. Ultrastructural relationships between the receptor nerve fiber and surrounding lamellae in Krause end-bulbs.

    Science.gov (United States)

    Spassova, I

    1981-01-01

    The ultrastructural relationship between the receptor nerve fiber and the surrounding lamellae in Krause end-bulbs was discussed. Many sites of specialized junctions of symmetrical or asymmetrical type along the receptor nerve fiber and the surrounding lamellae were found. In addition, in close vicinity to them, spine-like digitations of the receptor nerve fiber, filled mainly with small clear vesicles, were observed. Mitochondrion-like cholinesterase-positive structures bulging in some cytoplasmic lamellae were also found. It is suggested that a functional link might exist between the specialized junctions, digitations and mitochrondrion-like structures in the transformation of external mechanical stimuli into nerve impulses.

  13. Extraordinary absorption of sound in porous lamella-crystals

    DEFF Research Database (Denmark)

    Christensen, Johan; Romero-García, V.; Picó, R.

    2014-01-01

    . Experimental measurements show that strong all-angle sound absorption with almost zero reflectance takes place for a frequency range exceeding two octaves. We demonstrate that lowering the crystal filling fraction increases the wave interaction time and is responsible for the enhancement of intrinsic material......We present the design of a structured material supporting complete absorption of sound with a broadband response and functional for any direction of incident radiation. The structure which is fabricated out of porous lamellas is arranged into a low-density crystal and backed by a reflecting support...

  14. Analysis of low-energy and high-frequency femtosecond laser for the construction of deep anterior donor corneal lamellae

    Directory of Open Access Journals (Sweden)

    Gustavo Victor

    2014-04-01

    Full Text Available Purpose: To evaluate the efficacy and reliability of a low-energy femtosecond laser with a high repetition rate for construction of deep anterior donor corneal lamellae. Methods: This was a prospective laboratory investigation. Twenty-five human corneal buttons were femtosecond laser cut to create thick anterior lamellae (diameter, 10mm; thickness, 500µm. The laser cuts were made using an LDV® femtosecond laser in a Ziemer® anterior chamber. To obtain a better edge, the lamellae were trephined with an 8mm trephine (Katena®. The central corneal thickness and the anterior lamellae were measured using a Mitutoyo® thickness gauge with an accuracy of 0.001mm. Results: The central thickness of the 25 corneas ranged from 500 to 705µm (mean, 584 ± 51µm. The thickness of the anterior lamellae ranged from 420 to 480µm (mean, 455 ± 12.7µm. The anterior lamellae diameters were 7.90 ± 0.1mm, and all laser cuts were round. The lamellar interfaces appeared regular by surgical microscopy. There were no cases of inter-lamellar adhesion. Conclusion: The LDV® femtosecond laser appears to be a safe and reliable instrument for cutting deep anterior lamellae from donor corneoscleral buttons. Minimal variation in donor lamellar depth with the laser will be useful for creating donor corneal tissue for deeper anterior lamellar keratoplasty or endothelial keratoplasty surgery or both from a single donor cornea.

  15. Magnetic domain structures and stray fields of individual elongated magnetite grains revealed by magnetic force microscopy (MFM)

    DEFF Research Database (Denmark)

    Frandsen, Cathrine; Stipp, S. L. S.; McEnroe, S. A.

    2004-01-01

    ), the internal domain structure was determined for individual grains. In general, the lamellae were pseudo-single-domain grains with open-flux domain magnetisations parallel to their long axes. The domain sizes were, in cross-section, on the order of a micrometer for the longer lamellae and about 300 nm...

  16. Innovative use of lamella clarifiers for central stormwater treatment in separate sewer systems.

    Science.gov (United States)

    Weiss, Gebhard

    2014-01-01

    Lamella settlers have been used in the past few years for the sedimentation of particles in wastewater and stormwater applications. A new and very innovative approach for the treatment of stormwater flows is proposed which extends the portfolio of solutions beyond traditional settling tanks. Surface runoff is stored in a sewer or a basin and finally treated in a small but continuously operated lamella clarifier. The low throughput flow will yield good treatment efficiency at a small footprint. The possibilities of using existing storage volume in a storm sewer, as well as the structural flexibility of the arrangement are decisive benefits. As a large operational advantage, the lamellae may be cleaned mechanically, e.g. by pivoting under water. Finally, the flow and the sludge which will be sent to the downstream treatment plant will be minimized. A new comparative simulation method is proposed in order to assess an equivalent degree of stormwater treatment, either by achieving an equal annual volume of treated stormwater or, more directly, an equal amount of spilled pollutant load. The new solution is compared with a traditional settling tank according to current German design rules. Additionally, a case study from a real installation will be presented.

  17. Problems of lamella flanges in steel bridge construction

    Czech Academy of Sciences Publication Activity Database

    Křístek, V.; Škaloud, Miroslav; Urushadze, Shota; Kunrt, J.

    2016-01-01

    Roč. 59, č. 1 (2016), s. 11-15 ISSN 2217-8139 R&D Projects: GA ČR(CZ) GA15-01035S Institutional support: RVO:68378297 Keywords : bridges * lamella flanges * repeated loading * breathing * limit states Subject RIV: JM - Building Engineering http://scindeks-clanci.ceon.rs/data/pdf/0543-0798/2016/0543-07981601011K.pdf

  18. Effects of drying methods of lamellas used in multilayer parquet ...

    African Journals Online (AJOL)

    Flat sawn green lamellas with 5 and 2 mm thicknesses, which were cut away from Iroko lumber by means of thin cutting frame saw, were dried with 3 different drying methods such as drying in lumber drying kiln, jet ventilated automatic veneer roller dryer and veneer press dryer. Effect of drying temperature on surface ...

  19. Stepwise Swelling of a Thin Film of Lamellae-Forming Poly(styrene-b-butadiene) in Cyclohexane Vapor

    DEFF Research Database (Denmark)

    Di, Zhenyu; Posselt, Dorthe; Smilgies, Detlef-M.

    2012-01-01

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each...

  20. Cohesion between two clay lamellae: From Primitive Model to Full Molecular Simulation

    International Nuclear Information System (INIS)

    Carrier, Benoit; Vandamme, Matthieu; Pellenq, Roland; Van Damme, Henri

    2012-01-01

    Document available in extended abstract form only. The objective of this work is to investigate the range of validity of various models to describe accurately the cohesion between two charged clay lamellae. These models, in order of increasing complexity, are the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, the primitive model, the explicit solvent primitive model and the full molecular model. We aim at providing a clear picture of which physical mechanisms play a significant role for various interlayer spacings, surface charges and cationic charges. The up-scaling of the mechanical properties starting from the lamellar microstructure of a smectite is usually performed within the framework of the DLVO theory. In this case, the interaction between two charged lamellae with cations between them is the sum of the repulsive double layer electrostatic interaction and of the attractive Van der Waals interaction. However, the Primitive Model shows that concentration fluctuations of counter-ions can generate a strongly attractive ionic correlation force. The Primitive Model is a Monte-Carlo simulation of hydrated counter-ions between two infinite charges surfaces and the water is implicitly modeled by scaling all electrostatic interactions by the dielectric permittivity of bulk water. Nevertheless, for very small inter-layer spacings (1 nm), molecular simulations and experiments show that water is organized in a layered structure and does not behave like bulk water. Therefore, we investigate the role of the solvent in the cohesion of clay lamellae. For this purpose, we use a modified version of the original Primitive Model in which the solvent is modeled by point-dipoles: This model is called the Explicit Solvent Primitive Model. We consider four different systems: A Na + -montmorillonite, a Ca 2+ -montmorillonite, a Na + -vermiculite, a Ca 2+ -vermiculite. The vermiculite layers are twice as charged as the montmorillonite layers. We use a full molecular model as a

  1. Nuclear structure and the single charge exchange

    International Nuclear Information System (INIS)

    Oset, E.; Strottman, D.

    1979-01-01

    The influence of nuclear structure on meson-induced single-charge-exchange reactions on light nuclei is discussed within the context of the Glauber approximation. Selection rules which are expected to be approximately obeyed in elastic and inelastic pion and kaon scattering are proposed. Theoretical predictions are presented for (π + ,π 0 ) and (K + ,K 0 ) reactions on 13 C. 14 figures

  2. Breakdown of middle lamella pectin by (●) OH during rapid abscission in Azolla.

    Science.gov (United States)

    Yamada, Yoshiya; Koibuchi, Mizuki; Miyamoto, Kensuke; Ueda, Junichi; Uheda, Eiji

    2015-08-01

    Azolla, a small water fern, abscises its roots and branches within 30 min upon treatment with various stresses. This study was conducted to test whether, in the rapid abscission that occurs in Azolla, breakdown of wall components of abscission zone cells by (●) OH is involved. Experimentally generated (●) OH caused the rapid separation of abscission zone cells from detached roots and the rapid shedding of roots from whole plants. Electron microscopic observations revealed that (●) OH rapidly and selectively dissolved a well-developed middle lamella between abscission zone cells and resultantly caused rapid cell separation and shedding. Treatment of abscission zones of Impatiens leaf petiole with (●) OH also accelerated the separation of abscission zone cells. However, compared with that of Azolla roots, accelerative effects in Impatiens were weak. A large amount of (●) OH was cytochemically detected in abscission zone cells both of Azolla roots and of Impatiens leaf petioles. These results suggest that (●) OH is involved in the cell separation process not only in the rapid abscission in Azolla but also in the abscission of Impatiens. However, for rapid abscission to occur, a well-developed middle lamella, a unique structure, which is sensitive to the attack of (●) OH, might be needed. © 2015 John Wiley & Sons Ltd.

  3. Nucleation and thickening of shear bands in nano-scale twin/matrix lamellae of a Cu-Al alloy processed by dynamic plastic deformation

    DEFF Research Database (Denmark)

    Hong, C.S.; Tao, N.R.; Huang, Xiaoxu

    2010-01-01

    dislocation structure (DDS) into a nano-sized (sub)grain structure (NGS). On the two sides of a core region, two transition layers (TRLs) exist where the T/M lamellae experienced much less shear strain. The interface boundaries separating the core region and the TRLs are characterized by very large shear...

  4. Annulate lamellae in phloem cells of virus-infected Sonchus plants.

    Science.gov (United States)

    Steinkamp, M P; Hoefert, L L

    1977-07-01

    The occurrence of annulate lamellae (AL) in differentiating phloem of Sonchus oleraceus (Compositae) singly infected with sowthistle yellow vein virus (SYVV) and doubly infected with a combination of SYVV and beet yellow stunt virus is documented by electron microscopy. Cell types in which AL were found were immature sieve elements and phloem parenchyma cells. AL were found only in cells that also contained SYVV particles although a direct association between the virus and AL was not apparent. The substructure of the AL and the relationships between the AL and the nuclear envelope and endoplasmic reticulum are similar to those reported in other descriptions of this organelle in the literature. This report appears to be the first one concerning the association of AL with a plant virus disease.

  5. In situ X-ray polymerization: from swollen lamellae to polymer-surfactant complexes.

    Science.gov (United States)

    Agzenai, Yahya; Lindman, Björn; Alfredsson, Viveka; Topgaard, Daniel; Renamayor, Carmen S; Pacios, Isabel E

    2014-01-30

    The influence of the monomer diallyldimethylammonium chloride (D) on the lamellar liquid crystal formed by the anionic surfactant aerosol OT (AOT) and water is investigated, determining the lamellar spacings by SAXS and the quadrupolar splittings by deuterium NMR, as a function of the D or AOT concentrations. The cationic monomer D induces a destabilization of the AOT lamellar structure such that, at a critical concentration higher than 5 wt %, macroscopic phase separation takes place. When the monomer, which is dissolved in the AOT lamellae, is polymerized in situ by X-ray initiation, a new collapsed lamellar phase appears, corresponding to the complexation of the surfactant with the resulting polymer. A theoretical model is employed to analyze the variation of the interactions between the AOT bilayers and the stability of the lamellar structure.

  6. Dynamics of interacting edge defects in copolymer lamellae

    Science.gov (United States)

    Dalnoki-Veress, Kari; McGraw, Joshua D.; Rowe, Ian D. W.

    2011-03-01

    It is known that terraces at the interface of lamella forming diblock copolymers do not make discontinuous jumps in height. Rather, their profiles are smoothly varying. The width of the transition region between two lamellar heights is typically several hundreds of nanometres, resulting from a balance between surface tension, chain stretching penalties, and the enthalpy of mixing. What is less well known in these systems is what happens when two transition regions approach one another. In this study, we show that time dependent experimental data of interacting copolymer lamellar edges is consistent with a model that assumes a repulsion between adjacent edges. The range of the interaction between edge defects is consistent with the profile width of noninteracting diblock terraces. Financial support from NSERC of Canada is gratefully acknowledged.

  7. Evaporation-driven clustering of microscale pillars and lamellae

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae-Hong; Kim, Jungchul; Kim, Ho-Young, E-mail: hyk@snu.ac.kr [Department of Mechanical and Aerospace Engineering, Seoul National University, Seoul 08826 (Korea, Republic of)

    2016-02-15

    As a liquid film covering an array of micro- or nanoscale pillars or lamellae evaporates, its meniscus pulls the elastic patterns together because of capillary effects, leading to clustering of the slender microstructures. While this elastocapillary coalescence may imply various useful applications, it is detrimental to a semiconductor manufacturing process called the spin drying, where a liquid film rinses patterned wafers until drying. To understand the transient mechanism underlying such self-organization during and after liquid evaporation, we visualize the clustering dynamics of polymer micropatterns. Our visualization experiments reveal that the patterns clumped during liquid evaporation can be re-separated when completely dried in some cases. This restoration behavior is explained by considering adhesion energy of the patterns as well as capillary forces, which leads to a regime map to predict whether permanent stiction would occur. This work does not only extend our understanding of micropattern stiction, but also suggests a novel path to control and prevent pattern clustering.

  8. Changing optical band structure with single photons

    Science.gov (United States)

    Albrecht, Andreas; Caneva, Tommaso; Chang, Darrick E.

    2017-11-01

    Achieving strong interactions between individual photons enables a wide variety of exciting possibilities in quantum information science and many-body physics. Cold atoms interfaced with nanophotonic structures have emerged as a platform to realize novel forms of nonlinear interactions. In particular, when atoms are coupled to a photonic crystal waveguide, long-range atomic interactions can arise that are mediated by localized atom-photon bound states. We theoretically show that in such a system, the absorption of a single photon can change the band structure for a subsequent photon. This occurs because the first photon affects the atoms in the chain in an alternating fashion, thus leading to an effective period doubling of the system and a new optical band structure for the composite atom-nanophotonic system. We demonstrate how this mechanism can be engineered to realize a single-photon switch, where the first incoming photon switches the system from being highly transmissive to highly reflective, and analyze how signatures can be observed via non-classical correlations of the outgoing photon field.

  9. Femtosecond laser cutting of multiple thin corneal stromal lamellae for endothelial bioengineering.

    Science.gov (United States)

    Bernard, Aurélien; He, Zhiguo; Forest, Fabien; Gauthier, Anne-Sophie; Peocʼh, Michel; Dumollard, Jean-Marc; Acquart, Sophie; Montard, Romain; Delbosc, Bernard; Gain, Philippe; Thuret, Gilles

    2015-02-01

    To assess the feasibility of cutting multiple thin stromal lamellae in human donor corneas using a commercial femtosecond laser (FSL) to provide cell carriers for future endothelial graft bioengineering. Eight edematous organ-cultured corneas not suitable for grafting for endothelial reasons were mounted on a Ziemer anterior chamber and cut with a Z6 FSL with 6 successive parallel cuts, from depth to surface. Target thickness of each lamella ranged from 100 to 150 μm depending on initial corneal thickness. Thickness was measured using anterior segment optical coherence tomography before and after cutting on mounted corneas, and on each stromal lamella after detachment. Scanning electron microscopy observation was performed on 4 lamellae and histological cross sections on 1 cornea before detachment. A median of 5 (minimum 3, maximum 7) lamellae was obtained per cornea. All lamellae still attached were the most posterior ones, suggesting that FSL was less efficient because of light scattering by edematous stroma. Cut precision and postdetachment swelling were correlated with anterior-posterior position within the cornea. Median lamella thickness was 127 μm (56-222 μm) before detachment and 196 μm (80-304 μm) after detachment. Surface state was consistent with previously reported FSL lamellar cuts during Descemet stripping automated endothelial keratoplasty. Up to 7 thin lamellae can be cut in stored corneas with an FSL. This method, once optimized primarily by using deswelled, more transparent corneas, could prove effective for recycling unsuitable donor corneas in corneal bioengineering processes.

  10. Structural Encoding of Static Single Assignment Form

    DEFF Research Database (Denmark)

    Gal, Andreas; Probst, Christian; Franz, Michael

    2005-01-01

    Static Single Assignment (SSA) form is often used as an intermediate representation during code optimization in Java Virtual Machines. Recently, SSA has successfully been used for bytecode verification. However, constructing SSA at the code consumer is costly. SSAbased mobile code transport formats...... Java bytecode. While the resulting bytecode sequence can still be directly executed by traditional Virtual Machines, our novel VM can infer SSA form and confirm its safety with virtually no overhead....... have been shown to eliminate this cost by shifting SSA creation to the code producer. These new formats, however, are not backward compatible with the established Java class-file format. We propose a novel approach to transport SSA information implicitly through structural code properties of standard...

  11. Electronic structure of single crystal C60

    International Nuclear Information System (INIS)

    Wu, J.; Shen, Z.X.; Dessau, D.S.; Cao, R.; Marshall, D.S.; Pianetta, P.; Lindau, I.; Yang, X.; Terry, J.; King, D.M.; Wells, B.O.; Elloway, D.; Wendt, H.R.; Brown, C.A.; Hunziker, H.; Vries, M.S. de

    1992-01-01

    We report angle-resolved photoemission data from single crystals of C 60 cleaved in UHV. Unlike the other forms of pure carbon, the valence band spectrum of C 60 consists of many sharp features that can be essentially accounted for by the quantum chemical calculations describing individual molecules. This suggests that the electronic structure of solid C 60 is mainly determined by the bonding interactions within the individual molecules. We also observe remarkable intensity modulations of the photoemission features as a function of photon energy, suggesting strong final state effects. Finally, we address the issue of the band width of the HOMO state of C 60 . We assert that the width of the photoemission peak of C 60 does not reflect the intrinsic band width because it is broadened by the non 0-0 transitions via the Franck-Condon principle. Our view point provides a possible reconciliation between these photoemission data and those measured by other techniques. (orig.)

  12. Nanofabrication and coloration study of artificial Morpho butterfly wings with aligned lamellae layers.

    Science.gov (United States)

    Zhang, Sichao; Chen, Yifang

    2015-11-18

    The bright and iridescent blue color from Morpho butterfly wings has attracted worldwide attentions to explore its mysterious nature for long time. Although the physics of structural color by the nanophotonic structures built on the wing scales has been well established, replications of the wing structure by standard top-down lithography still remains a challenge. This paper reports a technical breakthrough to mimic the blue color of Morpho butterfly wings, by developing a novel nanofabrication process, based on electron beam lithography combined with alternate PMMA/LOR development/dissolution, for photonic structures with aligned lamellae multilayers in colorless polymers. The relationship between the coloration and geometric dimensions as well as shapes is systematically analyzed by solving Maxwell's Equations with a finite domain time difference simulator. Careful characterization of the mimicked blue by spectral measurements under both normal and oblique angles are carried out. Structural color in blue reflected by the fabricated wing scales, is demonstrated and further extended to green as an application exercise of the new technique. The effects of the regularity in the replicas on coloration are analyzed. In principle, this approach establishes a starting point for mimicking structural colors beyond the blue in Morpho butterfly wings.

  13. Nanofabrication and coloration study of artificial Morpho butterfly wings with aligned lamellae layers

    Science.gov (United States)

    Zhang, Sichao; Chen, Yifang

    2015-11-01

    The bright and iridescent blue color from Morpho butterfly wings has attracted worldwide attentions to explore its mysterious nature for long time. Although the physics of structural color by the nanophotonic structures built on the wing scales has been well established, replications of the wing structure by standard top-down lithography still remains a challenge. This paper reports a technical breakthrough to mimic the blue color of Morpho butterfly wings, by developing a novel nanofabrication process, based on electron beam lithography combined with alternate PMMA/LOR development/dissolution, for photonic structures with aligned lamellae multilayers in colorless polymers. The relationship between the coloration and geometric dimensions as well as shapes is systematically analyzed by solving Maxwell’s Equations with a finite domain time difference simulator. Careful characterization of the mimicked blue by spectral measurements under both normal and oblique angles are carried out. Structural color in blue reflected by the fabricated wing scales, is demonstrated and further extended to green as an application exercise of the new technique. The effects of the regularity in the replicas on coloration are analyzed. In principle, this approach establishes a starting point for mimicking structural colors beyond the blue in Morpho butterfly wings.

  14. Patent portfolio structure for single technology companies

    OpenAIRE

    Hartwell, Ian P.

    2004-01-01

    Single technology companies (STCs) are defined in this thesis as companies that (a) have the fundamental rights to a new technology, (b) have development of that technology as their core competence, (c) seek to exploit that technology primarily by licensing the patent rights, and (d) are driven primarily by 'technology push'. These factors often result in much of the value of the STC residing in its patent portfolio. This in turn may place significant - and often conflicting - ...

  15. A nano lamella NbTi–NiTi composite with high strength

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Jiang [Jiangxi Key Laboratory of Advanced Copper and Tungsten Materials, Jiangxi Academy of Sciences, Nanchang 330029 (China); Institute of Applied Physics of Jiangxi Academy of Sciences, Nanchang 330029 (China); State Key Laboratory of Heavy Oil Processing and Department of Materials Science and engineering, China University of Petroleum, Beijing 102249 (China); Jiang, Daqiang [State Key Laboratory of Heavy Oil Processing and Department of Materials Science and engineering, China University of Petroleum, Beijing 102249 (China); School of Mechanical and Chemical Engineering, The University of Western Australia, WA 6009 (Australia); Hao, Shijie; Yu, Cun; Zhang, Junsong [State Key Laboratory of Heavy Oil Processing and Department of Materials Science and engineering, China University of Petroleum, Beijing 102249 (China); Ren, Yang [X-ray Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Lu, Deping; Xie, Shifang [Jiangxi Key Laboratory of Advanced Copper and Tungsten Materials, Jiangxi Academy of Sciences, Nanchang 330029 (China); Institute of Applied Physics of Jiangxi Academy of Sciences, Nanchang 330029 (China); Cui, Lishan, E-mail: lishancui63@126.com [State Key Laboratory of Heavy Oil Processing and Department of Materials Science and engineering, China University of Petroleum, Beijing 102249 (China)

    2015-05-01

    A hypereutectic Nb{sub 60}Ti{sub 24}Ni{sub 16} (at%) alloy was prepared by vacuum induction melting, and a nano lamellae NbTi–NiTi composite was obtained by hot-forging and wire-drawing of the ingot. Microscopic analysis showed that NbTi and NiTi nano lamellae distributed alternatively in the composite, and aligned along the wire axial direction, with a high volume fraction (~70%) of NbTi nano lamellae. In situ synchrotron X-ray diffraction analysis revealed that stress induced martensitic transformation occurred upon loading, which would effectively weaken the stress concentration at the interface and avoid the introduction of defects into the nano reinforced phase. Then the embedded NbTi nano lamellae exhibited a high elastic strain up to 2.72%, 1.5 times as high as that of the Nb nanowires embedded in a conventional plastic matrix, and the corresponding stress carried by NbTi was evaluated as 2.53 GPa. The high volume fraction of NbTi nano lamellae improved the translation of high strength from the nano reinforced phase into bulk properties of the composite, with a platform stress of ~1.7 GPa and a fracture strength of ~1.9 GPa.

  16. Stepwise swelling of a thin film of lamellae-forming poly(styrene-b- butadiene) in cyclohexane vapor

    KAUST Repository

    Di, Zhenyu; Posselt, Dorthe; Smilgies, Detlef Matthias; Li, Ruipeng; Rauscher, Markus; Potemkin, Igor I.; Papadakis, Christine M.

    2012-01-01

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each step were followed in situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). During the first step, the lamellar thickness increases strongly, before it decreases again. At the same time, the full width at half-maximum (FWHM) of the diffuse Bragg reflection along the film normal has a sharp maximum. These observations point to the formation of new lamellae. During the subsequent swelling steps, the lamellar thickness overshoots only weakly. The behavior thus resembles qualitatively our previous results on a similar thin film during swelling in saturated vapor of cyclohexane; however, it deviates from earlier theoretical predictions. We propose a theory that is quantitatively correct for the description of the dependence of the lamellar thickness on the polymer volume fraction in the late stage of the swelling steps. © 2012 American Chemical Society.

  17. Stepwise swelling of a thin film of lamellae-forming poly(styrene-b- butadiene) in cyclohexane vapor

    KAUST Repository

    Di, Zhenyu

    2012-06-26

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each step were followed in situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). During the first step, the lamellar thickness increases strongly, before it decreases again. At the same time, the full width at half-maximum (FWHM) of the diffuse Bragg reflection along the film normal has a sharp maximum. These observations point to the formation of new lamellae. During the subsequent swelling steps, the lamellar thickness overshoots only weakly. The behavior thus resembles qualitatively our previous results on a similar thin film during swelling in saturated vapor of cyclohexane; however, it deviates from earlier theoretical predictions. We propose a theory that is quantitatively correct for the description of the dependence of the lamellar thickness on the polymer volume fraction in the late stage of the swelling steps. © 2012 American Chemical Society.

  18. Large-visual-angle microstructure inspired from quantitative design of Morpho butterflies' lamellae deviation using the FDTD/PSO method.

    Science.gov (United States)

    Wang, Wanlin; Zhang, Wang; Chen, Weixin; Gu, Jiajun; Liu, Qinglei; Deng, Tao; Zhang, Di

    2013-01-15

    The wide angular range of the treelike structure in Morpho butterfly scales was investigated by finite-difference time-domain (FDTD)/particle-swarm-optimization (PSO) analysis. Using the FDTD method, different parameters in the Morpho butterflies' treelike structure were studied and their contributions to the angular dependence were analyzed. Then a wide angular range was realized by the PSO method from quantitatively designing the lamellae deviation (Δy), which was a crucial parameter with angular range. The field map of the wide-range reflection in a large area was given to confirm the wide angular range. The tristimulus values and corresponding color coordinates for various viewing directions were calculated to confirm the blue color in different observation angles. The wide angular range realized by the FDTD/PSO method will assist us in understanding the scientific principles involved and also in designing artificial optical materials.

  19. RF Breakdown in Normal Conducting Single-cell Structures

    CERN Document Server

    Dolgashev, Valery A; Higo, Toshiyasu; Nantista, Christopher D; Tantawi, Sami G

    2005-01-01

    Operating accelerating gradient in normal conducting accelerating structures is often limited by rf breakdown. The limit depends on multiple parameters, including input rf power, rf circuit, cavity shape and material. Experimental and theoretical study of the effects of these parameters on the breakdown limit in full scale structures is difficult and costly. We use 11.4 GHz single-cell traveling wave and standing wave accelerating structures for experiments and modeling of rf breakdown behavior. These test structures are designed so that the electromagnetic fields in one cell mimic the fields in prototype multicell structures for the X-band linear collider. Fields elsewhere in the test structures are significantly lower than that of the single cell. The setup uses matched mode converters that launch the circular TM01 mode into short test structures. The test structures are connected to the mode launchers with vacuum rf flanges. This setup allows economic testing of different cell geometries, cell materials an...

  20. Hierarchical structure of correlation functions for single jets

    International Nuclear Information System (INIS)

    Lupia, S.; Giovannini, A.; Ugoccioni, R.

    1993-01-01

    Theoretical basis of void scaling function properties of hierarchical structure in rapidity and p T intervals are explored. Their phenomenological consequences are analyzed at single jet level by using Monte Carlo methods in e + e - annihilation. It is found that void scaling function study provides an interesting alternative approach for characterizing single jets of different origin. (orig.)

  1. Hierarchical structure of correlation functions for single jets

    Energy Technology Data Exchange (ETDEWEB)

    Lupia, S. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy)); Giovannini, A. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy)); Ugoccioni, R. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy))

    1993-08-01

    Theoretical basis of void scaling function properties of hierarchical structure in rapidity and p[sub T] intervals are explored. Their phenomenological consequences are analyzed at single jet level by using Monte Carlo methods in e[sup +]e[sup -] annihilation. It is found that void scaling function study provides an interesting alternative approach for characterizing single jets of different origin. (orig.)

  2. First detection of lamella-gyroid-cylinder phase transition of neat polyethylene-poly(ethylene oxide) diblock copolymers on the basis of synchrotron WAXD/SAXS and infrared/Raman spectral measurements

    International Nuclear Information System (INIS)

    Weiyu, Cao; Tashiro, Kohji; Hanesaka, Makoto; Takeda, Shinichi; Masunaga, Hiroyasu; Sasaki, Sono; Takata, Masaki

    2009-01-01

    The phase transition behaviour of polyethylene-b-poly(ethylene oxide) (PE-b-PEO) diblock copolymer with relatively short chain lengths has been studied on the basis of temperature dependent infrared and Raman spectral measurements and synchrotron WAXD/SAXS simultaneous measurements, from which the concrete structural changes were deduced successfully from the various levels of molecular chain conformation, chain packing mode and higher-order structure. The higher-order structure has been found to transform between lamella, perforated lamella, gyroid, cylinder and sphere structures. The inner structural changes occurring in the polyethylene and poly(ethylene oxide) parts have been related with these morphological changes. The morphological transition from lamella to gyroid occurs with keeping the crystalline state of polyethylene parts. This apparently curious transition can be interpreted reasonably by assuming the thermally-activated chain motion in the crystal lattice, which may play an important role as a trigger to induce the morphological change from lamella to gyroid. This idea was supported by the measurement of half-width of Raman anti-symmetric CH 2 stretching band sensitive to the thermal mobility of alkyl chains.

  3. Structure of single-chain single crystals of isotactic polystyrene and their radiation resistance

    International Nuclear Information System (INIS)

    Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze

    1997-01-01

    The structure of the single-chain single crystals of isotactic polystyrene (i-PS) was investigated by electron diffraction (ED) and high resolution electron microscopy (HREM). The nano-scale single-chain single crystals were found to be very stable to electron irradiation. According to the unit cell of i-PS crystals, the reflection rings in ED pattern and the lattice fringes in HREM images could be indexed, but the lower-index diffractions were not found. It is proposed that the single-chain single crystals are very small, thus secondary electrons may be allowed to escape and radiation damage is highly reduced, and that there are less lower-index lattice planes in the single-chain single crystals to provide sufficient diffraction intensity for recording. HREM images can be achieved at room temperature in the case of single-chain single crystals because of its stability to electron irradiation, therefore, this might be a novel experimental approach to the study of crystal structure of macromolecules

  4. Higher acid-chlorite reactivity of cell corner middle lamella lignin in black spruce

    Science.gov (United States)

    Umesh P. Agarwal

    2007-01-01

    To determine if there was a delignification behavior difference between secondary wall (S2) and middle lamella (cell corner or CC) lignin, black spruce cross-sections were acid-chlorite delignified and the tissue was evaluated in-situ by Raman imaging. Lignin concentration in S2 and CC was determined in numerous latewood cell areas in the two hour delignified cross...

  5. Effect of surface roughness on drying speed of drying lamellas in ...

    African Journals Online (AJOL)

    Lamellas, which are defined as top layers of multilayer parquet and favourable to wood veneer can be dried in jet ventilated automatic veneer roller dryer due to short drying period. The objective of this study is to determine the effect of surface roughness on the drying speed of the veneer roller dryer. Quercus spp.

  6. David Lynchi lamella / Slavoj Žižek ; tõlkinud Hasso Krull

    Index Scriptorium Estoniae

    Žižek, Slavoj, 1949-

    1996-01-01

    Režissöör ja tema filmide psühhoanalüütiline analüüs, tõlge kogumikust "Reading Seminar XI. Lacan's Four Fundamental Concepts of Psychoanalysis", 1995. Lisad : tõlkija seletab sõna "lamella" tähenduse, Aare Ermeli koostatud režissööri filmograafia (mittetäielik)

  7. Overview of Hanford Single Shell Tank (SST) Structural Integrity

    Energy Technology Data Exchange (ETDEWEB)

    Rast, Richard S.; Washenfelder, Dennis J.; Johnson, Jeremy M.

    2013-11-14

    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration, Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford Single-Shell Tanks. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS. The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford Single-Shell Tanks has concluded that the tanks are structurally sound and meet current industry standards. Analysis of the remaining Hanford Single-Shell Tanks is scheduled for FY2014. Hanford Single-Shell Tanks are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of

  8. Overview of Hanford Single Shell Tank (SST) Structural Integrity

    International Nuclear Information System (INIS)

    Rast, Richard S.; Washenfelder, Dennis J.; Johnson, Jeremy M.

    2013-01-01

    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration, Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford Single-Shell Tanks. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS. The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford Single-Shell Tanks has concluded that the tanks are structurally sound and meet current industry standards. Analysis of the remaining Hanford Single-Shell Tanks is scheduled for FY2014. Hanford Single-Shell Tanks are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of

  9. Alcohol sensor based on single-mode-multimode-single-mode fiber structure

    Science.gov (United States)

    Mefina Yulias, R.; Hatta, A. M.; Sekartedjo, Sekartedjo

    2016-11-01

    Alcohol sensor based on Single-mode -Multimode-Single-mode (SMS) fiber structure is being proposed to sense alcohol concentration in alcohol-water mixtures. This proposed sensor uses refractive index sensing as its sensing principle. Fabricated SMS fiber structure had 40 m of multimode length. With power input -6 dBm and wavelength 1550 nm, the proposed sensor showed good response with sensitivity 1,983 dB per % v/v with measurement range 05 % v/v and measurement span 0,5% v/v.

  10. RF Breakdown in Normal Conducting Single-Cell Structures

    International Nuclear Information System (INIS)

    Dolgashev, V.A.; Nantista, C.D.; Tantawi, S.G.; Higashi, Y.; Higo, T.

    2006-01-01

    Operating accelerating gradient in normal conducting accelerating structures is often limited by rf breakdown. The limit depends on multiple parameters, including input rf power, rf circuit, cavity shape and material. Experimental and theoretical study of the effects of these parameters on the breakdown limit in full scale structures is difficult and costly. We use 11.4 GHz single-cell traveling wave and standing wave accelerating structures for experiments and modeling of rf breakdown behavior. These test structures are designed so that the electromagnetic fields in one cell mimic the fields in prototype multicell structures for the X-band linear collider. Fields elsewhere in the test structures are significantly lower than that of the single cell. The setup uses matched mode converters that launch the circular TM 01 mode into short test structures. The test structures are connected to the mode launchers with vacuum rf flanges. This setup allows economic testing of different cell geometries, cell materials and preparation techniques with short turn-around time. Simple 2D geometry of the test structures simplifies modeling of the breakdown currents and their thermal effects

  11. Design of a lamella settler for biomass recycling in continuous ethanol fermentation process.

    Science.gov (United States)

    Tabera, J; Iznaola, M A

    1989-04-20

    The design and application of a settler to a continuous fermentation process with yeast recycle were studied. The compact lamella-type settler was chosen to avoid large volumes associated with conventional settling tanks. A rationale of the design method is covered. The sedimentation area was determined by classical batch settling rate tests and sedimentation capacity calculation. Limitations on the residence time of the microorganisms in the settler, rather than sludge thickening considerations, was the approach employed for volume calculation. Fermentation rate tests with yeast after different sedimentation periods were carried out to define a suitable residence time. Continuous cell recycle fermentation runs, performed with the old and new sedimentation devices, show that lamella settler improves biomass recycling efficiency, being the process able to operate at higher sugar concentrations and faster dilution rates.

  12. Evolution of single-particle structure of silicon isotopes

    Science.gov (United States)

    Bespalova, O. V.; Fedorov, N. A.; Klimochkina, A. A.; Markova, M. L.; Spasskaya, T. I.; Tretyakova, T. Yu.

    2018-01-01

    New data on proton and neutron single-particle energies E_{nlj} of Si isotopes with neutron number N from 12 to 28 as well as occupation probabilities N_{nlj} of single-particle states of stable isotopes 28, 30Si near the Fermi energy were obtained by the joint evaluation of the stripping and pick-up reaction data and excited state decay schemes of neighboring nuclei. The evaluated data indicate the following features of single-particle structure evolution: persistence of Z = 14 subshell closure with N increase, the new magicity of the number N = 16, and the conservation of the magic properties of the number N = 20 in Si isotopic chain. The features were described by the dispersive optical model. The calculation also predicts the weakening of N = 28 shell closure and demonstrates evolution of a bubble-like structure of the proton density distributions in neutron-rich Si isotopes.

  13. Evolution of single-particle structure of silicon isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Bespalova, O.V.; Klimochkina, A.A.; Spasskaya, T.I.; Tretyakova, T.Yu. [Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow (Russian Federation); Fedorov, N.A.; Markova, M.L. [Lomonosov Moscow State University, Faculty of Physics, Moscow (Russian Federation)

    2018-01-15

    New data on proton and neutron single-particle energies E{sub nlj} of Si isotopes with neutron number N from 12 to 28 as well as occupation probabilities N{sub nlj} of single-particle states of stable isotopes {sup 28,30}Si near the Fermi energy were obtained by the joint evaluation of the stripping and pick-up reaction data and excited state decay schemes of neighboring nuclei. The evaluated data indicate the following features of single-particle structure evolution: persistence of Z = 14 subshell closure with N increase, the new magicity of the number N = 16, and the conservation of the magic properties of the number N = 20 in Si isotopic chain. The features were described by the dispersive optical model. The calculation also predicts the weakening of N = 28 shell closure and demonstrates evolution of a bubble-like structure of the proton density distributions in neutron-rich Si isotopes. (orig.)

  14. Structural science using single crystal and pulse neutron scattering

    International Nuclear Information System (INIS)

    Noda, Yukio; Kimura, Hiroyuki; Watanabe, Masashi; Ishikawa, Yoshihisa; Tamura, Itaru; Arai, Masatoshi; Takahashi, Miwako; Ohshima, Ken-ichi; Abe, Hiroshi; Kamiyama, Takashi

    2008-01-01

    The application to single crystal neutron structural analysis is overviewed. Special attention is paid to the pulse neutron method, which will be available soon under J-PARC project in Japan. New proposal and preliminary experiment using Sirius at KENS are described. (author)

  15. Divorce, Single Parenthood and Stepfamilies: Structural Implications of These Transactions.

    Science.gov (United States)

    Schulman, Gerda L.

    1981-01-01

    Focuses on change in the family structure during divorce as well as stages of single parenthood and the reconstituted family. Special characteristics of these families and tasks to be undertaken to enable the new unit to function are discussed. Suggests family therapy is helpful during the crisis stage. (Author)

  16. Magnetic structure of URhSi single crystal

    Czech Academy of Sciences Publication Activity Database

    Prokeš, K.; Andreev, Alexander V.; Honda, F.; Sechovský, V.

    2003-01-01

    Roč. 261, - (2003), s. 131-138 ISSN 0304-8853 R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914 Keywords : URhSi single crystal * magnetization * neutron diffraction * magnetic structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  17. A task for laser cutting of lamellae with TruLaser 1030

    OpenAIRE

    Lazov, Lyubomir; Deneva, Hristina; Narica, Pavels

    2015-01-01

    The growing development of manufacturing, automotive, aerospace and other sectors in the industry generates the necessity to continuously expanding on modifications of electrical machinery and equipments which are used in them, as well as to improve their performance and reliability. The report presents some results from a study to the process of laser cutting through melting on lamellae for rotor and stator packages by using the laser system TruLaser 1030. Some functional dependencies are of...

  18. Non-cooperative immobilization of residual water bound in lyophilized photosynthetic lamellae.

    Science.gov (United States)

    Harańczyk, Hubert; Baran, Ewelina; Nowak, Piotr; Florek-Wojciechowska, Małgorzata; Leja, Anna; Zalitacz, Dorota; Strzałka, Kazimierz

    2015-12-01

    This study applied 1H-NMR in time and in frequency domain measurements to monitor the changes that occur in bound water dynamics at decreased temperature and with increased hydration level in lyophilizates of native wheat photosynthetic lamellae and in photosynthetic lamellae reconstituted from lyophilizate. Proton relaxometry (measured as free induction decay = FID) distinguishes a Gaussian component S within the NMR signal (o). This comes from protons of the solid matrix of the lamellae and consists of (i) an exponentially decaying contribution L1 from mobile membrane protons, presumably from lipids, and from water that is tightly bound to the membrane surface and thus restricted in mobility; and (ii) an exponentially decaying component L2 from more mobile, loosely bound water pool. Both proton relaxometry data and proton spectroscopy show that dry lyophilizate incubated in dry air, i.e., at a relative humidity (p/p0) of 0% reveals a relatively high hydration level. The observed liquid signal most likely originates from mobile membrane protons and a tightly bound water fraction that is sealed in pores of dry lyophilizate and thus restricted in mobility. The estimations suggest that the amount of sealed water does not exceed the value characteristic for the main hydration shell of a phospholipid. Proton spectra collected for dry lyophilizate of photosynthetic lamellae show a continuous decrease in the liquid signal component without a distinct freezing transition when it is cooled down to -60ºC, which is significantly lower than the homogeneous ice nucleation temperature [Bronshteyn, V.L. et al. Biophys. J. 65 (1993) 1853].

  19. A Simple Thermoplastic Substrate Containing Hierarchical Silica Lamellae for High-Molecular-Weight DNA Extraction.

    Science.gov (United States)

    Zhang, Ye; Zhang, Yi; Burke, Jeffrey M; Gleitsman, Kristin; Friedrich, Sarah M; Liu, Kelvin J; Wang, Tza-Huei

    2016-12-01

    An inexpensive, magnetic thermoplastic nanomaterial is developed utilizing a hierarchical layering of micro- and nanoscale silica lamellae to create a high-surface-area and low-shear substrate capable of capturing vast amounts of ultrahigh-molecular-weight DNA. Extraction is performed via a simple 45 min process and is capable of achieving binding capacities up to 1 000 000 times greater than silica microparticles. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Novel in-situ lamella fabrication technique for in-situ TEM.

    Science.gov (United States)

    Canavan, Megan; Daly, Dermot; Rummel, Andreas; McCarthy, Eoin K; McAuley, Cathal; Nicolosi, Valeria

    2018-03-29

    In-situ transmission electron microscopy is rapidly emerging as the premier technique for characterising materials in a dynamic state on the atomic scale. The most important aspect of in-situ studies is specimen preparation. Specimens must be electron transparent and representative of the material in its operational state, amongst others. Here, a novel fabrication technique for the facile preparation of lamellae for in-situ transmission electron microscopy experimentation using focused ion beam milling is developed. This method involves the use of rotating microgrippers during the lift-out procedure, as opposed to the traditional micromanipulator needle and platinum weld. Using rotating grippers, and a unique adhesive substance, lamellae are mounted onto a MEMS device for in-situ TEM annealing experiments. We demonstrate how this technique can be used to avoid platinum deposition as well as minimising damage to the MEMS device during the thinning process. Our technique is both a cost effective and readily implementable alternative to the current generation of preparation methods for in-situ liquid, electrical, mechanical and thermal experimentation within the TEM as well as traditional cross-sectional lamella preparation. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. Single jet structure in e+e- annihilation

    International Nuclear Information System (INIS)

    Bianchi, F.; Giovannini, A.; Lupia, S.; Ugoccioni, R.

    1993-01-01

    By using JETSET 7.2 as e + e - event generator at different c.m. energies, we studied single jet multiplicity distributions in different rapidity and p T intervals. Good NB behavior is found and related clan structure analysis is performed. Observed differences in the behavior of the 2- and 3-jet samples can be understood in terms of the relative contribution of single quark and gluon jet to the 3-jet sample, which are obtained by selecting event by event in this sample the highest and the lowest energy jet respectively. (orig.)

  2. Hybrid Testing of Composite Structures with Single-Axis Control

    DEFF Research Database (Denmark)

    Waldbjørn, Jacob Paamand; Høgh, Jacob Herold; Stang, Henrik

    2013-01-01

    Correlation (DIC) is therefore implemented for displacement control of the experimental setup. The hybrid testing setup was verified on a multicomponent structure consisting of a beam loaded in three point bending and a numerical structure of a frame. Furthermore, the stability of the hybrid testing loop......Hybrid testing is a substructuring technique where a structure is emulated by modelling a part of it in a numerical model while testing the remainder experimentally. Previous research in hybrid testing has been performed on multi-component structures e.g. damping fixtures, however in this paper...... a hybrid testing platform is introduced for single-component hybrid testing. In this case, the boundary between the numerical model and experimental setup is defined by multiple Degrees-Of-Freedoms (DOFs) which highly complicate the transferring of response between the two substructures. Digital Image...

  3. Crystal structure and magnetic susceptibility of UOSe single crystals

    International Nuclear Information System (INIS)

    Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)

  4. Crystal structure and magnetic susceptibility of UOSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).

  5. Mathematical model of human osteon and its validation by nanomechanical testing of bone lamella

    Czech Academy of Sciences Publication Activity Database

    Korsa, R.; Lukeš, J.; Šepitka, J.; Kytýř, Daniel; Mareš, T.

    2014-01-01

    Roč. 17, SUPP. 1 (2014), s. 24-25 ISSN 1025-5842. [Congress of the Societe-de-Biomecanique /39./. Valenciennes, 27.08.2014-29.08.2014] R&D Projects: GA ČR(CZ) GAP105/10/2305 Institutional support: RVO:68378297 Keywords : osteon * lamella * micromechanics * elastic constants * nanoindentation Subject RIV: JJ - Other Materials Impact factor: 1.770, year: 2014 http://www.tandfonline.com/doi/abs/10.1080/10255842.2014.931078#.VBq66E0cRaQ

  6. Applicability of LET to single events in microelectronic structures

    Science.gov (United States)

    Xapsos, Michael A.

    1992-12-01

    LET is often used as a single parameter to determine the energy deposited in a microelectronic structure by a single event. The accuracy of this assumption is examined for ranges of ion energies and volumes of silicon appropriate for modern microelectronics. It is shown to be accurate only under very restricted conditions. Significant differences arise because (1) LET is related to energy lost by the ion, not energy deposited in the volume; and (2) LET is an average value and does not account for statistical variations in energy deposition. Criteria are suggested for determining when factors other than LET should be considered, and new analytical approaches are presented to account for them. One implication of these results is that improvements can be made in space upset rate predictions by incorporating the new methods into currently used codes such as CREME and CRUP.

  7. Overview Of Hanford Single Shell Tank (SST) Structural Integrity - 12123

    International Nuclear Information System (INIS)

    Rast, R.S.; Rinker, M.W.; Washenfelder, D.J.; Johnson, J.B.

    2012-01-01

    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration. Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford SSTs. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford SSTs is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS(reg s ign) The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford SSTs has concluded that the tanks are structurally sound and meet current industry standards. Analyses of the remaining Hanford SSTs are scheduled for FY2013. Hanford SSTs are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of the concrete tank domes, looking for cracks and

  8. OVERVIEW OF HANFORD SINGLE SHELL TANK (SST) STRUCTURAL INTEGRITY - 12123

    Energy Technology Data Exchange (ETDEWEB)

    RAST RS; RINKER MW; WASHENFELDER DJ; JOHNSON JB

    2012-01-25

    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration. Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford SSTs. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford SSTs is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS{reg_sign} The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford SSTs has concluded that the tanks are structurally sound and meet current industry standards. Analyses of the remaining Hanford SSTs are scheduled for FY2013. Hanford SSTs are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of the concrete tank domes, looking for cracks and

  9. Single-Walled Carbon-Nanotubes-Based Organic Memory Structures

    Directory of Open Access Journals (Sweden)

    Sundes Fakher

    2016-09-01

    Full Text Available The electrical behaviour of organic memory structures, based on single-walled carbon-nanotubes (SWCNTs, metal–insulator–semiconductor (MIS and thin film transistor (TFT structures, using poly(methyl methacrylate (PMMA as the gate dielectric, are reported. The drain and source electrodes were fabricated by evaporating 50 nm gold, and the gate electrode was made from 50 nm-evaporated aluminium on a clean glass substrate. Thin films of SWCNTs, embedded within the insulating layer, were used as the floating gate. SWCNTs-based memory devices exhibited clear hysteresis in their electrical characteristics (capacitance–voltage (C–V for MIS structures, as well as output and transfer characteristics for transistors. Both structures were shown to produce reliable and large memory windows by virtue of high capacity and reduced charge leakage. The hysteresis in the output and transfer characteristics, the shifts in the threshold voltage of the transfer characteristics, and the flat-band voltage shift in the MIS structures were attributed to the charging and discharging of the SWCNTs floating gate. Under an appropriate gate bias (1 s pulses, the floating gate is charged and discharged, resulting in significant threshold voltage shifts. Pulses as low as 1 V resulted in clear write and erase states.

  10. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.

    2017-03-02

    The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

  11. A Review of Structure Construction of Silk Fibroin Biomaterials from Single Structures to Multi-Level Structures

    Directory of Open Access Journals (Sweden)

    Yu Qi

    2017-03-01

    Full Text Available The biological performance of artificial biomaterials is closely related to their structure characteristics. Cell adhesion, migration, proliferation, and differentiation are all strongly affected by the different scale structures of biomaterials. Silk fibroin (SF, extracted mainly from silkworms, has become a popular biomaterial due to its excellent biocompatibility, exceptional mechanical properties, tunable degradation, ease of processing, and sufficient supply. As a material with excellent processability, SF can be processed into various forms with different structures, including particulate, fiber, film, and three-dimensional (3D porous scaffolds. This review discusses and summarizes the various constructions of SF-based materials, from single structures to multi-level structures, and their applications. In combination with single structures, new techniques for creating special multi-level structures of SF-based materials, such as micropatterning and 3D-printing, are also briefly addressed.

  12. Structure of cleaved (001) USb2 single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shao-ping [Los Alamos National Laboratory; Hawley, Marilyn [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Stockum, Phil B [STANFORD UNIV.; Manoharan, Hari C [STANFORD UNIV

    2009-01-01

    We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb{sub 2} crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. The purpose of this work is to demonstrate the power of scanning tunneling microscopy (STM) techniques combined with a theoretical underpinning to determine the surface atomic structure and properties of actinide materials, such as the quasi 2-dimensional uranium dipnictide USb{sub 2} single crystal, thereby contributing to the understanding of their surface structural and electronic properties. The members of this interesting UX{sub 2} (X=P, As, Sb, Bi) series of compounds display dual localized and itinerant 5f electron behavior within the same compound due to the hybridization of the 5f orbitals with the conduction band. With the exception of UO{sub 2}, which has to be studied at elevated temperature to generate enough carriers for STM imaging, STM techniques have not been applied successfully to the characterization of the surface atomic structure of any other single crystal actinide compound, to the best of our knowledge. However, STM has been used to a limited extent for the study of some cerium compounds. STM probes electronic properties at the atomic level and can directly provide information about the local density of filled and empty states (LDOS) states simultaneously. A STM topograph provides the local atomic arrangement and spacing of the atoms on the surface, local defect structures (e.g. steps, vacancies, and kink sites) and the presence of contaminants

  13. Neutron production in the interaction of electrons with a dispersing lamella

    International Nuclear Information System (INIS)

    Soto B, T. G.; Baltazar R, A.; Medina C, D.; Vega C, H. R.

    2017-10-01

    When a Linac for radiotherapy operates with acceleration voltages greater than 8 MV, neutrons are produced as secondary radiation. They deposit an undesirable and not negligible dose in the patient. Depending on the type of tumor, its location in the body and the characteristics of the patient, cancer treatment with a Linac is done with photon or electron beams, which produce neutrons through reactions (γ, n) and e, e n) respectively. Because the effective section of the reaction (n, γ) is 137 times greater than the reaction (e, e n), most studies have focused on photo neutrons. When a Linac operates with electron beams, the beam that leaves the magnetic baffle is incised in the dispersion foil in order to cause quasi-elastic interactions and expand the spatial distribution of the electrons; in their interaction with the lamella the electrons produce photons and these in turn produce neutrons. Due to the radiobiological efficiency of neutrons and the ways in which they interact with matter, is important to determine the neutrons production in Linacs operating in electron mode. The objective of this work is to determine the characteristics of photons and neutrons that occur when a beam of mono-energetic electrons of 2 mm in diameter (pencil beam) is made to impinge on a tungsten lamella of 1 cm in diameter and 0.5 mm thick located in the center of a 10 cm thick tungsten shell, used to represent the accelerator head. The study was carried out using the Monte Carlo method with the MCNP6 code for electron beams of 12 and 18 MeV. The spectra of photons and neutrons were estimated in 6 point detectors, four were placed in different points equidistant from the center of the lamella and the other two were located at 50 cm and 1 m from the electron beam, simulating the totally closed head. In this work it was found that when a Linac operates with an electron beam of 12 or 18 MeV there is neutron production mainly in the head and in the direction of the beam. (Author)

  14. Twinning structures in near-stoichiometric lithium niobate single crystals

    International Nuclear Information System (INIS)

    Yao, Shuhua; Chen, Yanfeng

    2010-01-01

    A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts ΔX and ΔY in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  15. Structure and single-phase regime of boron carbides

    International Nuclear Information System (INIS)

    Emin, D.

    1988-01-01

    The boron carbides are composed of twelve-atom icosahedral clusters which are linked by direct covalent bonds and through three-atom intericosahedral chains. The boron carbides are known to exist as a single phase with carbon concentrations from about 8 to about 20 at. %. This range of carbon concentrations is made possible by the substitution of boron and carbon atoms for one another within both the icosahedra and intericosahedral chains. The most widely accepted structural model for B 4 C (the boron carbide with nominally 20% carbon) has B/sub 11/C icosahedra with C-B-C intericosahedral chains. Here, the free energy of the boron carbides is studied as a function of carbon concentration by considering the effects of replacing carbon atoms within B 4 C with boron atoms. It is concluded that entropic and energetic considerations both favor the replacement of carbon atoms with boron atoms within the intericosahedral chains, C-B-C→C-B-B. Once the carbon concentration is so low that the vast majority of the chains are C-B-B chains, near B/sub 13/C 2 , subsequent substitutions of carbon atoms with boron atoms occur within the icosahedra, B/sub 11/C→B/sub 12/. Maxima of the free energy occur at the most ordered compositions: B 4 C,B/sub 13/C 2 ,B/sub 14/C. This structural model, determined by studying the free energy, agrees with that previously suggested by analysis of electronic and thermal transport data. These considerations also provide an explanation for the wide single-phase regime found for boron carbides

  16. Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive.

    Science.gov (United States)

    Burley, Stephen K; Berman, Helen M; Kleywegt, Gerard J; Markley, John L; Nakamura, Haruki; Velankar, Sameer

    2017-01-01

    The Protein Data Bank (PDB)--the single global repository of experimentally determined 3D structures of biological macromolecules and their complexes--was established in 1971, becoming the first open-access digital resource in the biological sciences. The PDB archive currently houses ~130,000 entries (May 2017). It is managed by the Worldwide Protein Data Bank organization (wwPDB; wwpdb.org), which includes the RCSB Protein Data Bank (RCSB PDB; rcsb.org), the Protein Data Bank Japan (PDBj; pdbj.org), the Protein Data Bank in Europe (PDBe; pdbe.org), and BioMagResBank (BMRB; www.bmrb.wisc.edu). The four wwPDB partners operate a unified global software system that enforces community-agreed data standards and supports data Deposition, Biocuration, and Validation of ~11,000 new PDB entries annually (deposit.wwpdb.org). The RCSB PDB currently acts as the archive keeper, ensuring disaster recovery of PDB data and coordinating weekly updates. wwPDB partners disseminate the same archival data from multiple FTP sites, while operating complementary websites that provide their own views of PDB data with selected value-added information and links to related data resources. At present, the PDB archives experimental data, associated metadata, and 3D-atomic level structural models derived from three well-established methods: crystallography, nuclear magnetic resonance spectroscopy (NMR), and electron microscopy (3DEM). wwPDB partners are working closely with experts in related experimental areas (small-angle scattering, chemical cross-linking/mass spectrometry, Forster energy resonance transfer or FRET, etc.) to establish a federation of data resources that will support sustainable archiving and validation of 3D structural models and experimental data derived from integrative or hybrid methods.

  17. Two dynamic morphotypes of sarcoma cells, asymmetric stellate and triangle with leading lamella, are related to malignancy

    Czech Academy of Sciences Publication Activity Database

    Pokorná, Eva; Zicha, D.; Chaloupková, Alena; Matoušková, Eva; Veselý, Pavel

    2003-01-01

    Roč. 49, č. 1 (2003), s. 33-49 ISSN 0015-5500 R&D Projects: GA ČR GA304/99/0368 Institutional research plan: CEZ:AV0Z5052915 Keywords : morphotypes * stellate * lamella Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 0.527, year: 2003

  18. Surface ultrastructure of the gill filaments and the secondary lamellae of the catfish, Rita rita, and the carp, Cirrhinus mrigala.

    Science.gov (United States)

    Kumari, Usha; Mittal, Swati; Mittal, Ajay Kumar

    2012-04-01

    Surface ultrastructures of gill filaments and secondary lamellae of Rita rita and Cirrhinus mrigala, inhabiting different ecological habitat, were investigated to unravel adaptive modifications. R. rita is a sluggish, bottom dwelling carnivorous catfish, which inhabits regions of river with accumulations of dirty water. It retains its viability for long time if taken out of water. C. mrigala is an active bottom dwelling Indian major carp, which lives in relatively clean water and dies shortly after taken out of water. In R. rita, gill septa between gill filaments are reduced. Microridges on epithelial cells covering gill filaments are often continuous and arranged concentrically. Secondary lamellae are extensive. The epithelium appears corrugated, show irregular elevations and shallow depressions, and microridges on epithelial cells appear fragmented. In C. mrigala, in contrast, the gill septa are extensive. Microridges on epithelial cells covering gill filaments are fragmented. Secondary lamellae are less extensive. The epithelium appears smooth and microridges on epithelial cells are relatively inconspicuous. These differences have been considered adaptive modification in relation to habit and ecological niches inhabited by two fish species. Presence of mucous goblet cells on gill filaments is discussed in relation to their functions including precipitation of the sediments and preventing clogging of gill filaments. Infrequent mucous goblet cells in the epithelium of secondary lamellae in two fish species are considered an adaptation, minimizing thickness of the epithelium to reduce barrier between blood and water for favoring gasses exchange with increased efficiency. Copyright © 2011 Wiley-Liss, Inc.

  19. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  20. Origin of spinel lamella and/or inclusions in olivine of harzburgite form the Pauza ultramafic rocks from the Kurdistan region, northeastern Iraq

    Science.gov (United States)

    Mohammad, Y.; Maekawa, H.; Karim, K.

    2009-04-01

    Exsolution lamellae and octahedral inclusions of chromian spinel occur in olivine of harzburgite of the Pauza ultramafic rocks, Kurdistan region, northeastern Iraq. The lamella is up to 80μm long and up to 50 μm wide. The lamellae and octahedral inclusions of chromian spinel are distributed heterogeneously in the host olivine crystal. They are depleted in Al2O3 relative to the subhedral spinel grains in the matrix and spinel lamella in orthopyroxene. Olivine (Fo92 - 93) with spinel lamellae occurs as fine-grained crystals around orthopyroxene, whereas olivine (Fo90-91) free from spinel is found in matrix. Based on back-scattered images analyses, enrichments of both Cr # and Fe+3 in the chromian spinel lamella in olivine (replacive olivine) relative to that in adjacent orthopyroxene. As well as the compositions of chromian spinel lamellae host olivine are more Mg-rich than the matrix olivine. Furthermore the restriction of olivine with spinel lamellae and octahedral inclusions on around orthopyroxene, and the similarity of spinel lamella orientations in both olivine and adjacent orthopyroxene. This study concludes that the spinel inclusions in olivine are remnant (inherited from former orthopyroxene) spinel exsolution lamella in orthopyroxene, that has been formed in upper mantle conditions ( T = 1200 °C, P = 2.5 GPa ). Replacive olivine are formed by reaction of ascending silica poor melt and orthopyroxene in harzburgite as pressure decrease the solubility of silica-rich phase (orthopyroxene) in the system increase, therefore ascending melt dissolve pyroxene with spinel exsolution lamella and precipitate replacive olivine with spinel inclusions. We can conclude that the olivines with spinel lamella are not necessary to be original and presenting ultrahigh-pressure and/or ultra deep-mantle conditions as previously concluded. It has been formed by melting of orthopyroxene (orthopyroxene with spinel exsolution lamella = olivine with spinel lamellae and octahedral

  1. Super-Robust Polylactide Barrier Films by Building Densely Oriented Lamellae Incorporated with Ductile in Situ Nanofibrils of Poly(butylene adipate-co-terephthalate).

    Science.gov (United States)

    Zhou, Sheng-Yang; Huang, Hua-Dong; Ji, Xu; Yan, Ding-Xiang; Zhong, Gan-Ji; Hsiao, Benjamin S; Li, Zhong-Ming

    2016-03-01

    Remarkable combination of excellent gas barrier performance, high strength, and toughness was realized in polylactide (PLA) composite films by constructing the supernetworks of oriented and pyknotic crystals with the assistance of ductile in situ nanofibrils of poly(butylene adipate-co-terephthalate) (PBAT). On the basis that the permeation of gas molecules through polymer materials with anisotropic structure would be more frustrated, we believe that oriented crystalline textures cooperating with inerratic amorphism can be favorable for the enhancement of gas barrier property. By taking full advantage of intensively elongational flow field, the dispersed phase of PBAT in situ forms into nanofibrils, and simultaneously sufficient row-nuclei for PLA are induced. After appropriate thermal treatment with the acceleration effect of PBAT on PLA crystallization, oriented lamellae of PLA tend to be more perfect in a preferential direction and constitute into a kind of network interconnecting with each other. At the same time, the molecular chains between lamellae tend to be more extended. This unique structure manifests superior ability in ameliorating the performance of PLA film. The oxygen permeability coefficient can be achieved as low as 2 × 10(-15) cm(3) cm cm(-2) s(-1) Pa(-1), combining with the high strength, modulus, and ductility (104.5 MPa, 3484 MPa, and 110.6%, respectively). The methodology proposed in this work presents an industrially scalable processing method to fabricate super-robust PLA barrier films. It would indeed push the usability of biopolymers forward, and certainly prompt wider application of biodegradable polymers in the fields of environmental protection such as food packaging, medical packaging, and biodegradable mulch.

  2. Single Molecules as Optical Probes for Structure and Dynamics

    Science.gov (United States)

    Orrit, Michel

    Single molecules and single nanoparticles are convenient links between the nanoscale world and the laboratory. We discuss the limits for their optical detection by three different methods: fluorescence, direct absorption, and photothermal detection. We briefly review some recent illustrations of qualitatively new information gathered from single-molecule signals: intermittency of the fluorescence intensity, acoustic vibrations of nanoparticles (1-100 GHz) or of extended defects in molecular crystals (0.1-1 MHz), and dynamical heterogeneity in glass-forming molecular liquids. We conclude with an outlook of future uses of single-molecule methods in physical chemistry, soft matter, and material science.

  3. Improved ductility of a transformation-induced-plasticity steel by nanoscale austenite lamellae

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Y.F., E-mail: shenyf@smm.neu.edu.cn [Key Laboratory for Anisotropy and Texture of Materials (MOE), School of Materials and Metallurgy, Northeastern University, Shenyang 110004 (China); Liu, Y.D. [Key Laboratory for Anisotropy and Texture of Materials (MOE), School of Materials and Metallurgy, Northeastern University, Shenyang 110004 (China); Sun, X. [Pacific Northwest National Laboratory, PO Box 999, Richland, WA 99352 (United States); Wang, Y.D.; Zuo, L. [Key Laboratory for Anisotropy and Texture of Materials (MOE), School of Materials and Metallurgy, Northeastern University, Shenyang 110004 (China); Misra, R.D.K. [Laboratory for Excellence in Advanced Steel Research, Center for Structural and Functional Materials, Institute for Materials Research and Innovation, University of Louisiana at Lafayette, P.O. Box 44130, Lafayette, LA 70504 (United States)

    2013-10-20

    TRIP (transformation-induced-plasticity) steel with a chemical composition of 0.19C–0.30Si–1.76Mn–1.52Al (weight percentage, wt%) have been treated by intercritical annealing and austempering process. The microstructures of the obtained samples consist of the ferrite, the bainite and the retained austenite phase. The volume fractions of the bainite and the retained austenite gradually increase with increasing the temperature of the intercritical annealing. Consequently, significantly different mechanical properties have been observed. The sample annealed at 820 °C (for 120 s) and partitioned at 400 °C (for 300 s) has the best combination of ultimate tensile strength (UTS, ∼682 MPa) and elongation to failure (∼70%) with about 26% of bainitic ferrite plates and 17% retained austenite in its microstructure. The retained austenite has a lamella morphology with 100‒300 nm in thickness and 2‒5 µm in length. On the contrary, the sample annealed at the same temperature without the partitioning process yields much lower UTS and elongation to failure.

  4. Crack detection in oak flooring lamellae using ultrasound-excited thermography

    Science.gov (United States)

    Pahlberg, Tobias; Thurley, Matthew; Popovic, Djordje; Hagman, Olle

    2018-01-01

    Today, a large number of people are manually grading and detecting defects in wooden lamellae in the parquet flooring industry. This paper investigates the possibility of using the ensemble methods random forests and boosting to automatically detect cracks using ultrasound-excited thermography and a variety of predictor variables. When friction occurs in thin cracks, they become warm and thus visible to a thermographic camera. Several image processing techniques have been used to suppress the noise and enhance probable cracks in the images. The most successful predictor variables captured the upper part of the heat distribution, such as the maximum temperature, kurtosis and percentile values 92-100 of the edge pixels. The texture in the images was captured by Completed Local Binary Pattern histograms and cracks were also segmented by background suppression and thresholding. The classification accuracy was significantly improved from previous research through added image processing, introduction of more predictors, and by using automated machine learning. The best ensemble methods reach an average classification accuracy of 0.8, which is very close to the authors' own manual attempt at separating the images (0.83).

  5. Relation Between the Molopo Farms and Bushveld Complexes: An Analysis of Pyroxene Exsolution Lamellae

    Science.gov (United States)

    Moore, I.; Feineman, M. D.; Nyblade, A.

    2017-12-01

    The Molopo Farms Complex (MFC) is a layered igneous intrusion in Botswana, considered to be related to the nearby South African Bushveld Complex (BC) due to their similarities. The BC has been researched in depth for its economic deposits of platinum group elements (PGEs), while the under-researched MFC has no PGEs and is under 200 m of sediment. This study aims to increase knowledge about the MFC regarding the theory that the BC and MFC come from the same parental magma body by showing similar cooling history in the exsolution of pyroxenes. Using optical microscopy and scanning electron microscopy (SEM) paired with an energy-dispersive detector (EDS), thin sections of pyroxenes with exsolution lamellae from both complexes were observed in terms of chemical composition and microtextures. MFC pyroxenes were then compared to literature data of BC pyroxenes. The pyroxenes are closely related, indicating that the MFC and the BC cooled at a similar rate and come from the same parental magma body. Further research can expand on these findings to prove that the MFC and BC are from the same magma.

  6. Theory and applications of structured light single pixel imaging

    Science.gov (United States)

    Stokoe, Robert J.; Stockton, Patrick A.; Pezeshki, Ali; Bartels, Randy A.

    2018-02-01

    Many single-pixel imaging techniques have been developed in recent years. Though the methods of image acquisition vary considerably, the methods share unifying features that make general analysis possible. Furthermore, the methods developed thus far are based on intuitive processes that enable simple and physically-motivated reconstruction algorithms, however, this approach may not leverage the full potential of single-pixel imaging. We present a general theoretical framework of single-pixel imaging based on frame theory, which enables general, mathematically rigorous analysis. We apply our theoretical framework to existing single-pixel imaging techniques, as well as provide a foundation for developing more-advanced methods of image acquisition and reconstruction. The proposed frame theoretic framework for single-pixel imaging results in improved noise robustness, decrease in acquisition time, and can take advantage of special properties of the specimen under study. By building on this framework, new methods of imaging with a single element detector can be developed to realize the full potential associated with single-pixel imaging.

  7. Zero-mode waveguide nanophotonic structures for single molecule characterization

    Science.gov (United States)

    Crouch, Garrison M.; Han, Donghoon; Bohn, Paul W.

    2018-05-01

    Single-molecule characterization has become a crucial research tool in the chemical and life sciences, but limitations, such as limited concentration range, inability to control molecular distributions in space, and intrinsic phenomena, such as photobleaching, present significant challenges. Recent developments in non-classical optics and nanophotonics offer promising routes to mitigating these restrictions, such that even low affinity (K D ~ mM) biomolecular interactions can be studied. Here we introduce and review specific nanophotonic devices used to support single molecule studies. Optical nanostructures, such as zero-mode waveguides (ZMWs), are usually fabricated in thin gold or aluminum films and serve to confine the observation volume of optical microspectroscopy to attoliter to zeptoliter volumes. These simple nanostructures allow individual molecules to be isolated for optical and electrochemical analysis, even when the molecules of interest are present at high concentration (µM–mM) in bulk solution. Arrays of ZMWs may be combined with optical probes such as single molecule fluorescence, single molecule fluorescence resonance energy transfer, and fluorescence correlation spectroscopy for distributed analysis of large numbers of single-molecule reactions or binding events in parallel. Furthermore, ZMWs may be used as multifunctional devices, for example by combining optical and electrochemical functions in a single discrete architecture to achieve electrochemical ZMWs. In this review, we will describe the optical properties, fabrication, and applications of ZMWs for single-molecule studies, as well as the integration of ZMWs into systems for chemical and biochemical analysis.

  8. Electroerosion impulse effect on W single crystal structure

    International Nuclear Information System (INIS)

    Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

    1977-01-01

    The mechanism has been studied of brittle failure of single crystal tungsten on planes of crystallographic orientations [100], [110]; [111] in the process of electro-erosion machining by pulses of energies ranging from 1200 to 5000 μJ and of duration of 1 μs. It is shown that the electro-erosion machining of single crystal tungsten is characterized by the formation of a defect layer with a grid of microcracks which lie at a depth of approximately 80 μm. The appearance and the distribution of cracks on the surface of single crystals depends on the crystallogrpahic orientation

  9. Nanomechanical resonant structures in single-crystal diamond

    OpenAIRE

    Burek, Michael J.; Ramos, Daniel; Patel, Parth; Frank, Ian W.; Lončar, Marko

    2013-01-01

    With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an angled-etching methodology are reported. Resonance frequencies displayed evidence of significant compressive stress in doubly clamped diamond nanobeams, while cantilever resonance modes followed the expected inverse-length-squared trend. Q-factors on the o...

  10. High frequency single mode traveling wave structure for particle acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Ivanyan, M.I.; Danielyan, V.A.; Grigoryan, B.A.; Grigoryan, A.H. [CANDLE Synchrotron Research Institute, 0040 Yerevan (Armenia); Tsakanian, A.V. [CANDLE Synchrotron Research Institute, 0040 Yerevan (Armenia); Technische Universität Darmstadt, Institut TEMF, 64289 Darmstadt (Germany); Tsakanov, V.M., E-mail: tsakanov@asls.candle.am [CANDLE Synchrotron Research Institute, 0040 Yerevan (Armenia); Vardanyan, A.S.; Zakaryan, S.V. [CANDLE Synchrotron Research Institute, 0040 Yerevan (Armenia)

    2016-09-01

    The development of the new high frequency slow traveling wave structures is one of the promising directions in accomplishment of charged particles high acceleration gradient. The disc and dielectric loaded structures are the most known structures with slowly propagating modes. In this paper a large aperture high frequency metallic two-layer accelerating structure is studied. The electrodynamical properties of the slowly propagating TM{sub 01} mode in a metallic tube with internally coated low conductive thin layer are examined.

  11. Nano-indentation creep properties of the S2 cell wall lamina and compound corner middle lamella [abstract

    Science.gov (United States)

    Joseph E. Jakes; Charles R. Frihart; James F. Beecher; Donald S. Stone

    2010-01-01

    Bulk wood properties are derived from an ensemble of processes taking place at the micron-scale, and at this level the properties differ dramatically in going from cell wall layers to the middle lamella. To better understand the properties of these micron-scaled regions of wood, we have developed a unique set of nano-indentation tools that allow us to measure local...

  12. Quality of structural steel melted by single-slag process

    International Nuclear Information System (INIS)

    Levin, A.M.; Andreev, V.I.; Monastyrskij, A.V.; Drozdova, M.F.; Pashchenko, V.E.; Orzhekh, M.B.

    1982-01-01

    The 40Kh and 12KhN3A steels were used to compare the quality of the metal manufactured according to several variants of a single-slag process with the metal of a conventional melting technology. Investigation results show, that a single-slag process metal has higher sulfides and oxides contents as well as an increased anisotropy of mechanical properties while its tendency to flake formation is weaker due to a less degree of gas saturation. It is marked that anisotropy in the properties and a sulfide content may be decreased by out-of-furnace treatment of steels

  13. Effect of amorphous lamella on the crack propagation behavior of crystalline Mg/amorphous Mg-Al nanocomposites

    Science.gov (United States)

    Hai-Yang, Song; Yu-Long, Li

    2016-02-01

    The effects of amorphous lamella on the crack propagation behavior in crystalline/amorphous (C/A) Mg/Mg-Al nanocomposites under tensile loading are investigated using the molecular dynamics simulation method. The sample with an initial crack of orientation [0001] is considered here. For the nano-monocrystal Mg, the crack growth exhibits brittle cleavage. However, for the C/A Mg/Mg-Al nanocomposites, the ‘double hump’ behavior can be observed in all the stress-strain curves regardless of the amorphous lamella thickness. The results indicate that the amorphous lamella plays a critical role in the crack deformation, and it can effectively resist the crack propagation. The above mentioned crack deformation behaviors are also disclosed and analyzed in the present work. The results here provide a strategy for designing the high-performance hexagonal-close-packed metal and alloy materials. Project supported by the National Natural Science Foundation of China (Grant Nos. 11372256 and 11572259), the 111 Project (Grant No. B07050), the Program for New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-12-1046), and the Program for New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39).

  14. Dynamics Assessment of Advanced Single-Phase PLL Structures

    DEFF Research Database (Denmark)

    Golestan, Saeed; Monfarad, Mohammad; Freijedo, Francisco D.

    2013-01-01

    Recently, several advanced phase locked loop (PLL) techniques have been proposed for single-phase applications. Among these, the Park-PLL, and the second order generalized integrator (SOGI) based PLL are very attractive, owing to their simple digital implementation, low computational burden...

  15. Electronic Structure of Single- and Multiple-shell Carbon Fullerenes

    OpenAIRE

    Lin, Yeong-Lieh; Nori, Franco

    1993-01-01

    We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the $\\pi$-state energy spectra of large fullerene cages: $C_{240}$, $C_{540}$, $C_{960}$, $C_{1500}$, $C_{2160}$ and $C_{2940}$. Our iteration technique reduces the dimensionality of the problem by more than one order of magnitude (factors of $\\...

  16. Structural Design of Two-Cylinder Single Overhead Camshaft

    Science.gov (United States)

    Zhao, Yuxia; Zhang, Kangsheng; Di, Jiejian

    2018-01-01

    Due to the higher performance demand, the camshaft is the key driving part in the engine. Because it is eccentric circular section part, it is very difficult to design and manufacture this kind of axial parts. Take two-cylinder single overhead camshaft for an example, the entire process of camshaft design is analyzed. The practice has proved that the method has simple, flexible and efficient advantages, and it can greatly shorten the design of artificial computing time.

  17. A Structural Approach to Unresolved Mourning in Single Parent Family Systems.

    Science.gov (United States)

    Fulmer, Richard H.

    1983-01-01

    Considers the mother's depression as a special problem in therapy of single-parent families, resulting from unresolved mourning maintained by the family system. Offers reasons why the single-parent family's structure seems inherently vulnerable to unresolved mourning. Suggests techniques of Structural Family Therapy to facilitate mourning in such…

  18. Nectary structure in Symphyglossum sanguineum (Rchb.f. Schltr. (Orchidaceae

    Directory of Open Access Journals (Sweden)

    Małgorzata Stpiczyńska

    2012-12-01

    Full Text Available Ornithophily occurs in a great number of orchid species but despite this, researchers have largely neglected to investigate their nectaries. The aim of this study is to describe the nectary structure of Symphyglossum sanguineum, a species presumed to be pollinated by hummingbirds. The nectary is located at the free margins of auricles, which form a channel for the passage of nectar. The nectary, which consists of a single-layered epidermis and 2-3 layers of subepidermal cells, is supplied by collateral, vascular bundles. The nectary cells of S. sanguineum, like those of other ornithophilous orchids, have thick cellulose cell walls. A remarkable feature of these nectary cells is the dissolution of the middle lamella and the subsequent separation of epidermal cells. It is possible that this latter process facilitates the flow of the nectar to the nectary surface. The cuticle covering the nectary epidermis has micro-channels, but unlike the other species of ornithophilous orchids studied to date, it neither becomes disrupted nor detached from the epidermal cells. Abundant mitochondria, lipid droplets and smooth endoplasmic reticulum (SER with an osmiophilic material are present in the cytoplasm of nectary cells. Some plastids with few lamellae contain numerous vesicles and osmiophillic globules whereas others accumulate starch. SER lamellae are often closely associated with plastids and the contents of the former organelles closely resemble osmiophillic globules. Secretory vesicles are common, especially near the outer, tangential wall indicating that granulocrine secretion possibly occurs in S. sanguineum.

  19. Wake structure of a single vertical axis wind turbine

    International Nuclear Information System (INIS)

    Posa, Antonio; Parker, Colin M.; Leftwich, Megan C.; Balaras, Elias

    2016-01-01

    Highlights: • The wake structure of an isolated Vertical Axis Wind Turbine is studied by both Particle Imaging Velocimetry and Large Eddy Simulation. • The wake structure is investigated for two values of tip speed ratio, TSR_1=1.35 and TSR_2=2.21. • A displacement of the momentum deficit towards the windward side is verified in the wake. • Higher turbulence and coherence is observed on the leeward side of the wake, due to the upwind stall of the blades. • Coherence in the wake core, associated to the downwind stall, decays quickly downstream. - Abstract: The wake structure behind a vertical axis wind turbine (VAWT) is both measured in a wind tunnel using particle imaging velocimetry (PIV) and computed with large-eddy simulation (LES). Geometric and dynamic conditions are closely matched to typical applications of VAWTs (Re_D ∼ 1.8 × 10"5). The experiments and computations were highly coordinated with continuous two-way feedback to produce the most insightful results. Good qualitative agreement is seen between the computational and experimental results. The dependence of the wake structure on the tip speed ratio, TSR, is investigated, showing higher asymmetry and larger vortices at the lower rotational speed, due to stronger dynamic stall phenomena. Instantaneous, ensemble-averaged and phase-averaged fields are discussed, as well as the dynamics of coherent structures in the rotor region and downstream wake.

  20. Ultrafast photoinduced structure phase transition in antimony single crystals

    NARCIS (Netherlands)

    Fausti, Daniele; Misochko, Oleg V.; van Loosdrecht, Paul H. M.

    2009-01-01

    Picosecond Raman scattering is used to study the photoinduced ultrafast dynamics in Peierls distorted antimony. We find evidence for an ultrafast nonthermal reversible structural phase transition. Most surprisingly, we find evidence that this transition evolves toward a lower symmetry in contrast to

  1. Single crystalline silicon solar cells with rib structure

    Directory of Open Access Journals (Sweden)

    Shuhei Yoshiba

    2017-02-01

    Full Text Available To improve the conversion efficiency of Si solar cells, we have developed a thin Si wafer-based solar cell that uses a rib structure. The open-circuit voltage of a solar cell is known to increase with deceasing wafer thickness if the cell is adequately passivated. However, it is not easy to handle very thin wafers because they are brittle and are subject to warpage. We fabricated a lattice-shaped rib structure on the rear side of a thin Si wafer to improve the wafer’s strength. A silicon nitride film was deposited on the Si wafer surface and patterned to form a mask to fabricate the lattice-shaped rib, and the wafer was then etched using KOH to reduce the thickness of the active area, except for the rib region. Using this structure in a Si heterojunction cell, we demonstrated that a high open-circuit voltage (VOC could be obtained by thinning the wafer without sacrificing its strength. A wafer with thickness of 30 μm was prepared easily using this structure. We then fabricated Si heterojunction solar cells using these rib wafers, and measured their implied VOC as a function of wafer thickness. The measured values were compared with device simulation results, and we found that the measured VOC agrees well with the simulated results. To optimize the rib and cell design, we also performed device simulations using various wafer thicknesses and rib dimensions.

  2. Electronic structure of single- and multiple-shell carbon fullerenes

    International Nuclear Information System (INIS)

    Lin, Y.; Nori, F.

    1994-01-01

    We study the electronic states of giant single-shell and the recently discovered nested multiple-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the π-state energy spectra of large fullerene cages: C 240 , C 540 , C 960 , C 1500 , C 2160 , and C 2940 . Our iteration technique reduces the size of the problem by more than one order of magnitude (factors of ∼12 and 20), while the symmetry-based approach reduces it by a factor of 10. We also find formulas for the highest occupied and lowest unoccupied molecular orbital energies of C 60n 2 fullerenes as a function of n, demonstrating a tendency towards a metallic regime for increasing n. For multiple-shell fullerenes, we analytically obtain the eigenvalues of the intershell interaction

  3. Structural anisotropy of magnetically aligned single wall carbon nanotube films

    International Nuclear Information System (INIS)

    Smith, B. W.; Benes, Z.; Luzzi, D. E.; Fischer, J. E.; Walters, D. A.; Casavant, M. J.; Schmidt, J.; Smalley, R. E.

    2000-01-01

    Thick films of aligned single wall carbon nanotubes and ropes have been produced by filtration/deposition from suspension in strong magnetic fields. We measured mosaic distributions of rope orientations in the film plane, for samples of different thicknesses. For an ∼1 μm film the full width at half maximum (FWHM) derived from electron diffraction is 25 degree sign -28 degree sign . The FWHM of a thicker film (∼7 μm) measured by x-ray diffraction is slightly broader, 35±3 degree sign . Aligned films are denser than ordinary filter-deposited ones, and much denser than as-grown material. Optimization of the process is expected to yield smaller FWHMs and higher densities. (c) 2000 American Institute of Physics

  4. Conduction Mechanisms and Structure of Ionomeric Single-Ion Conductors

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Ralph H. [Pennsylvania State Univ., University Park, PA (United States); Maranas, Janna K. [Pennsylvania State Univ., University Park, PA (United States); Mueller, Karl T. [Pennsylvania State Univ., University Park, PA (United States); Runt, James [Pennsylvania State Univ., University Park, PA (United States); Winey, Karen I. [Univ. of Pennsylvania, Philadelphia, PA (United States)

    2015-03-01

    Our team has designed using DFT (Gaussian) and synthesized low glass transition temperature single-ion conductors that are either polyanions that conduct small cations Li+, Na+, Cs+ or polycations that conduct small anions F-, OH-, Br-. We utilize a wide range of complimentary experimental materials characterization tools to understand ion transport; differential scanning calorimetry, dielectric relaxation spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, linear viscoelasticity, X-ray scattering and molecular dynamics simulations. The glass transition temperature Tg needs to be as low as possible to facilitate ion transport, so the nonionic parts of the polymer need to be polar, flexible and have strong solvation interactions with the ions. The lowest Tg we have managed for polyanions conducting Li+ is -60 °C. In contrast, polysiloxanes with PEO side chains and tetrabutylphosphonium cationic side groups have Tg ≈ -75 °C that barely increases with ion content, as anticipated by DFT. A survey of all polyanions in the literature suggests that Tg < -80 °C is needed to achieve the 10-4 S/cm conductivity needed for battery separators.

  5. Single-field consistency relations of large scale structure

    International Nuclear Information System (INIS)

    Creminelli, Paolo; Noreña, Jorge; Simonović, Marko; Vernizzi, Filippo

    2013-01-01

    We derive consistency relations for the late universe (CDM and ΛCDM): relations between an n-point function of the density contrast δ and an (n+1)-point function in the limit in which one of the (n+1) momenta becomes much smaller than the others. These are based on the observation that a long mode, in single-field models of inflation, reduces to a diffeomorphism since its freezing during inflation all the way until the late universe, even when the long mode is inside the horizon (but out of the sound horizon). These results are derived in Newtonian gauge, at first and second order in the small momentum q of the long mode and they are valid non-perturbatively in the short-scale δ. In the non-relativistic limit our results match with [1]. These relations are a consequence of diffeomorphism invariance; they are not satisfied in the presence of extra degrees of freedom during inflation or violation of the Equivalence Principle (extra forces) in the late universe

  6. Hyperfine structure and isotope shift analysis of singly ionized titanium

    Science.gov (United States)

    Bouazza, Safa

    2013-04-01

    The even-parity low configuration system of Ti II has been considered on the basis of the experimental data found in the literature, and its fine structure has been reanalyzed by simultaneous parameterization of one- and two-body interactions for the model space (3d + 4s)3. Furthermore, the main one-electron hyperfine structure parameters for these configurations have been evaluated. For instance, for 3d24s1, a_{3{\\rm{d}}}^{01} = - {\\rm{63}}.{\\rm{2}}\\left( {{\\rm{3}}.{\\rm{1}}} \\right)\\,{\\rm{MHz}} and a_{4{\\rm{s}}}^{10} = - {\\rm{984}}.{\\rm{1}}\\left( {{\\rm{7}}.{\\rm{1}}} \\right)\\,{\\rm{MHz}} . Field shifts (FS) and specific mass shifts (SMS) of the main Ti II configurations are deduced by means of ab initio estimates combined with a small quantity of experimental isotope shift data available in the literature: FS(3d3) = -63.3 MHz, FS(3d24p1) = -49.7 MHz, FS(3d14s2) = 98.2 MHz, FS(4s24P1) = 163.4 MHz and SMS(3d3) = 1453.3 MHz, SMS(3d14s2) = -2179.7 MHz, …, referred to 3d24s1 for the pair Ti46-Ti48.

  7. Experimental demonstration of a simple displacement sensor based on a bent single-mode–multimode–single-mode fiber structure

    International Nuclear Information System (INIS)

    Wu, Qiang; Semenova, Yuliya; Wang, Pengfei; Hatta, Agus Muhamad; Farrell, Gerald

    2011-01-01

    A simple displacement sensor based on a bent single-mode–multimode–single-mode (SMS) fiber structure is proposed and experimentally investigated. The sensor offers a wider displacement range, not limited by the risk of fiber breakage, as well as a three-fold increase in displacement sensitivity by comparison with a straight SMS structure sensor. This sensor can be interrogated by either an optical spectral analyzer (OSA) or a ratiometric interrogation system: (1) if interrogated by an OSA assuming a resolution of 1 pm, it has a sensitivity of 28.2 nm for a displacement measurement range from 0 to 280 µm; (2) if interrogated by a ratiometric interrogation system, it has worst and best case resolutions of 556 and 38 nm, respectively, for a displacement measurement range from 0 to 520 µm

  8. Stability, occurence and step morphology of polymorphs and polytypes of stearic acid. II. Mono-lamella step morphology and composite polymorphic/polytypic transformation

    Science.gov (United States)

    Inaoka, Kimio; Kobayashi, Masamichi; Okada, Masakazu; Sato, Kiyotaka

    1988-02-01

    Surface step morphology of three structural modifications of stearic acid, B(mon), B(orth II) and C(mon), was observed by replica method (TEM). The characteristic simple and interlaced patterns were observed for monoclinic and pseudo-orthorhombic polytypes, respectively. The observation on the C crystals which were transformed from B(orth II) or B(mon) enabled to detect two different modes of lattice displacement involved in composite polymorphic-polytypic transformations from B to C. B(mon) → C(mon) was found to be caused by a collective inclination of the molecules within the lamellar plane followed by the deformation of the subcell of the aliphatic chain, keeping the symmetry-axis unchanged. In contrast, B(orth II) → C(mon) occurs via an alternate rotation of the long-chain molecules in the adjacent lamellae around the c-axis of B(orth II) prototype, keeping the subcell arrangements unchanged. This means that the polytypic structure of a double-layer type was not preserved during the composite B(orth II) → C(mon) transformation. This peculiarity was discussed in terms of the interlamellar instability of a postulated double-layered polytype of the C polymorph.

  9. FIB preparation of a NiO Wedge-Lamella and STEM X-ray microanalysis for the determination of the experimental k(O-Ni) Cliff-Lorimer coefficient.

    Science.gov (United States)

    Armigliato, Aldo; Frabboni, Stefano; Gazzadi, Gian Carlo; Rosa, Rodolfo

    2013-02-01

    A method for the fabrication of a wedge-shaped thin NiO lamella by focused ion beam is reported. The starting sample is an oxidized bulk single crystalline, oriented, Ni commercial standard. The lamella is employed for the determination, by analytical electron microscopy at 200 kV of the experimental k(O-Ni) Cliff-Lorimer (G. Cliff & G.W. Lorimer, J Microsc 103, 203-207, 1975) coefficient, according to the extrapolation method by Van Cappellen (E. Van Cappellen, Microsc Microstruct Microanal 1, 1-22, 1990). The result thus obtained is compared to the theoretical k(O-Ni) values either implemented into the commercial software for X-ray microanalysis quantification of the scanning transmission electron microscopy/energy dispersive spectrometry equipment or calculated by the Monte Carlo method. Significant differences among the three values are found. This confirms that for a reliable quantification of binary alloys containing light elements, the choice of the Cliff-Lorimer coefficients is crucial and experimental values are recommended.

  10. Single cell Hi-C reveals cell-to-cell variability in chromosome structure

    Science.gov (United States)

    Schoenfelder, Stefan; Yaffe, Eitan; Dean, Wendy; Laue, Ernest D.; Tanay, Amos; Fraser, Peter

    2013-01-01

    Large-scale chromosome structure and spatial nuclear arrangement have been linked to control of gene expression and DNA replication and repair. Genomic techniques based on chromosome conformation capture assess contacts for millions of loci simultaneously, but do so by averaging chromosome conformations from millions of nuclei. Here we introduce single cell Hi-C, combined with genome-wide statistical analysis and structural modeling of single copy X chromosomes, to show that individual chromosomes maintain domain organisation at the megabase scale, but show variable cell-to-cell chromosome territory structures at larger scales. Despite this structural stochasticity, localisation of active gene domains to boundaries of territories is a hallmark of chromosomal conformation. Single cell Hi-C data bridge current gaps between genomics and microscopy studies of chromosomes, demonstrating how modular organisation underlies dynamic chromosome structure, and how this structure is probabilistically linked with genome activity patterns. PMID:24067610

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

    KAUST Repository

    Chen, Chen; Joshi, Trinity; Li, Huifang; Chavez, Anton D.; Pedramrazi, Zahra; Liu, Pei-Nian; Li, Hong; Dichtel, William R.; Bredas, Jean-Luc; Crommie, Michael F.

    2017-01-01

    We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde

  12. Tuneable complementary metamaterial structures based on graphene for single and multiple transparency windows.

    Science.gov (United States)

    Ding, Jun; Arigong, Bayaner; Ren, Han; Zhou, Mi; Shao, Jin; Lu, Meng; Chai, Yang; Lin, Yuankun; Zhang, Hualiang

    2014-08-22

    Novel graphene-based tunable plasmonic metamaterials featuring single and multiple transparency windows are numerically studied in this paper. The designed structures consist of a graphene layer perforated with quadrupole slot structures and dolmen-like slot structures printed on a substrate. Specifically, the graphene-based quadrupole slot structure can realize a single transparency window, which is achieved without breaking the structure symmetry. Further investigations have shown that the single transparency window in the proposed quadrupole slot structure is more likely originated from the quantum effect of Autler-Townes splitting. Then, by introducing a dipole slot to the quadrupole slot structure to form the dolmen-like slot structure, an additional transmission dip could occur in the transmission spectrum, thus, a multiple-transparency-window system can be achieved (for the first time for graphene-based devices). More importantly, the transparency windows for both the quadrupole slot and the dolmen-like slot structures can be dynamically controlled over a broad frequency range by varying the Fermi energy levels of the graphene layer (through electrostatic gating). The proposed slot metamaterial structures with tunable single and multiple transparency windows could find potential applications in many areas such as multiple-wavelength slow-light devices, active plasmonic switching, and optical sensing.

  13. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-12-01

    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

  14. The Effects of Cation Ratios on Root Lamella Suberization in Rice (Oryza sativa L. with Contrasting Salt Tolerance

    Directory of Open Access Journals (Sweden)

    M. R. Momayezi

    2012-01-01

    Full Text Available Rice is an important produced cereal in the world. We evaluated the effect of salt compositions including NaCl and Na2SO4 on suberin lamellae as a major barrier to radial ion and water movements in two rice genotypes representing contrasting salt tolerance levels under salinity stress. Two rice genotypes, Fajr as salt tolerant and Khazar as salt sensitive, were transplanted in sand culture under glasshouse condition. Rice seedlings were treated with five salt compositions including NaCl, Na2SO4, 1 : 1, 1 : 2, and 2 : 1 molar ratios for 40 days. It was proven that suberin lamellae in endodermis of root cell wall were thickened with Na2SO4 treatment. The results demonstrated that the number of passage cells was higher in Fajr genotype than that in Khazar genotype under saline condition. Calcium concentration in root tissue decreased as the SO42- concentration in root media increased. It can be concluded that Fajr genotype is able to keep some passage cells open to maintain Ca2+ uptake. The Ca2+/Na+ ratio in shoot tissue can be also a reliable index for the early recognition of salt stress in these rice genotypes.

  15. Authoritative knowledge and single women's unintentional pregnancies, abortions, adoption, and single motherhood: social stigma and structural violence.

    Science.gov (United States)

    Ellison, Marcia A

    2003-09-01

    This article explores the sources of authoritative knowledge that shaped single, white, middle-class women's unintentional pregnancies and child-bearing decisions throughout five reproductive eras. Women who terminated a pregnancy were most influenced by their own personal needs and circumstances. birth mothers' decisions were based on external sources of knowledge, such as their mothers, social workers, and social pressures. In contrast, single mothers based their decision on instincts and their religious or moral beliefs. Reproductive policies further constrained and significantly shaped women's experiences. The social stigma associated with these forms of stratified maternity suggests that categorizing pregnant women by their marital status, or births as out-of-wedlock, reproduces the structural violence implicit to normative models of female sexuality and maternity. This mixed-method study included focus groups to determine the kinds of knowledge women considered authoritative, a mailed survey to quantify these identified sources, and one-on-one interviews to explore outcomes in depth.

  16. Effect of single vacancy on the structural, electronic structure and magnetic properties of monolayer graphyne by first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Jiangni, E-mail: niniyun@nwu.edu.cn; Zhang, Yanni; Xu, Manzhang; Wang, Keyun; Zhang, Zhiyong

    2016-10-01

    The effect of single vacancy on the structural, electronic and magnetic properties of monolayer graphyne is investigated by the first-principles calculations. The calculated results reveal that single vacancy can result in the spin polarization in monolayer graphyne and the spin polarization is sensitive to local geometric structure of the vacancy. In the case of monolayer graphyne with one single vacancy at the sp{sup 2} hybridized C site, the vacancy introduces rather weakly spin-polarized, flat bands in the band gap. Due to the localization nature of the defect-induced bands, the magnetic moment is mainly localized at the vacancy site. As for the monolayer graphyne with one single vacancy at the sp hybridized C site, one defect-induced state which is highly split appears in the band gap. The spin-up band of the defect-induced state is highly dispersive and shows considerable delocalization, suggesting that the magnetic moment is dispersed around the vacancy site. The above magnetization in monolayer graphyne with one single vacancy is possibly explained in terms of the valence-bond theory. - Graphical abstract: Calculated band structure of the monolayer graphyne without (a) and with one single vacancy at Vb site (b) and at Vr site(c), respectively. Blue and red lines represent the spin-up and spin-down bands, respectively. For the sake of clarity, the band structure near the Fermi energy is also presented on the right panel. The Fermi level is set to zero on the energy scale. - Highlights: • A Jahn-Teller distortion occurs in monolayer graphyne with single vacancy. • The spin polarization is sensitive to local geometric structure of the vacancy. • Vacancy lying at sp{sup 2} hybridized C site introduces weakly spin-polarized defect bands. • A strong spin splitting occurs when the vacancy lies at sp hybridized C site. • The magnetization is explained in terms of the valence-bond theory.

  17. Studies of G-quadruplex DNA structures at the single molecule level

    DEFF Research Database (Denmark)

    Kragh, Sofie Louise

    2015-01-01

    Folding of G-quaduplex structures adopted by the human telomeric repeat is here studied by single molecule FRET microscopy. This method allows for the investigation of G-quadruplex structures and their conformational dynamic. Telomeres are located at the ends of our chromosomes and end in a single...... with human telomeric repeat adopt several different G-quadruplex conformations in the presence of K+ ions. G-quadruplexes inhibit telomerase activity and are therefore potential targets for anti-cancer drugs, which can be small molecule ligands capable of stabilizing G-quadruplex structures. Understanding...... range. FRET spectroscopy can be performed on an ensemble of molecules, or on the single molecule level. In single molecule FRET experiments it is possible to follow the behaviour in time for each molecule independently, allowing insight into both dynamically and statistically heterogeneous molecular...

  18. Structural templating in a nonplanar phthalocyanine using single crystal copper iodide

    OpenAIRE

    Rochford, L. A. (Luke A.); Ramadan, Alexandra J.; Keeble, Dean S.; Ryan, Mary P.; Heutz, Sandrine; Jones, T. S. (Tim S.)

    2015-01-01

    Solution-grown copper iodide crystals are used as substrates for the templated growth of the nonplanar vanadyl phthalocyanine using organic molecular beam deposition. Structural characterization reveals a single molecular orientation produced by the (111) Miller plane of the copper iodide crystals. These fundamental measurements show the importance of morphology and structure in templating interactions for organic electronics applications.

  19. Understanding nanocellulose chirality and structure-properties relationship at the single fibril level

    Science.gov (United States)

    Usov, Ivan; Nyström, Gustav; Adamcik, Jozef; Handschin, Stephan; Schütz, Christina; Fall, Andreas; Bergström, Lennart; Mezzenga, Raffaele

    2015-06-01

    Nanocellulose fibrils are ubiquitous in nature and nanotechnologies but their mesoscopic structural assembly is not yet fully understood. Here we study the structural features of rod-like cellulose nanoparticles on a single particle level, by applying statistical polymer physics concepts on electron and atomic force microscopy images, and we assess their physical properties via quantitative nanomechanical mapping. We show evidence of right-handed chirality, observed on both bundles and on single fibrils. Statistical analysis of contours from microscopy images shows a non-Gaussian kink angle distribution. This is inconsistent with a structure consisting of alternating amorphous and crystalline domains along the contour and supports process-induced kink formation. The intrinsic mechanical properties of nanocellulose are extracted from nanoindentation and persistence length method for transversal and longitudinal directions, respectively. The structural analysis is pushed to the level of single cellulose polymer chains, and their smallest associated unit with a proposed 2 × 2 chain-packing arrangement.

  20. The Globular State of the Single-Stranded RNA: Effect of the Secondary Structure Rearrangements

    Science.gov (United States)

    Grigoryan, Zareh A.; Karapetian, Armen T.

    2015-01-01

    The mutual influence of the slow rearrangements of secondary structure and fast collapse of the long single-stranded RNA (ssRNA) in approximation of coarse-grained model is studied with analytic calculations. It is assumed that the characteristic time of the secondary structure rearrangement is much longer than that for the formation of the tertiary structure. A nonequilibrium phase transition of the 2nd order has been observed. PMID:26345143

  1. The Globular State of the Single-Stranded RNA: Effect of the Secondary Structure Rearrangements

    Directory of Open Access Journals (Sweden)

    Zareh A. Grigoryan

    2015-01-01

    Full Text Available The mutual influence of the slow rearrangements of secondary structure and fast collapse of the long single-stranded RNA (ssRNA in approximation of coarse-grained model is studied with analytic calculations. It is assumed that the characteristic time of the secondary structure rearrangement is much longer than that for the formation of the tertiary structure. A nonequilibrium phase transition of the 2nd order has been observed.

  2. Structures of single vortex and vortex lattice in a d-wave superconductor

    International Nuclear Information System (INIS)

    Xu, J.; Ren, Y.; Ting, C.

    1996-01-01

    The structures of a single vortex and vortex lattice in a superconductor with d x 2 -y 2 symmetry are studied self-consistently employing a recently developed Ginzburg-Landau theory. Near a single vortex, we found that an s-wave component of the order parameter is always induced, and it causes the local magnetic-field distribution and the d-wave order parameter to have a fourfold anisotropy. It is shown that there is a strong correlation between the structure of a single vortex and the shape of the vortex lattice. Our numerical calculation indicates that the structure of the vortex lattice is always oblique except for temperatures very close to T c where it becomes triangular. The possible connection of the result with experiment is also discussed. copyright 1996 The American Physical Society

  3. Influence of submelting on formation of single crystals of nickel alloy with cellular-dendritic structure

    International Nuclear Information System (INIS)

    Pankin, G.N.; Esin, V.O.; Ponomarev, V.V.

    1996-01-01

    A study was made into specific features of cellular - dendritic structure formation in single crystals of nickel base alloy ZhS26 which had been crystallized following the pattern of solid solution. The single crystals in growing were subjected to periodic partial remelting to suppress the transition of cellular structure into a cellular - dendritic one during directional solidification. The results obtained showed the possibility to stabilize cellular growth of solid solution by way of inversion of interphase surface motion in the process of directional crystallization. 4 refs.; 5 figs

  4. Synthesis and Single Crystal Structures of Substituted-1,3-Selenazol-2-amines

    Directory of Open Access Journals (Sweden)

    Guoxiong Hua

    2016-12-01

    Full Text Available The synthesis and X-ray single crystal structures of a series of new 4-substituted-1,3-selenazol-2-amines is reported. The efficient preparation of these compounds was carried out by two-component cyclization of the selenoureas with equimolar amounts of α-haloketones. The selenoureas were obtained from the reaction of Woollins’ reagent with cyanamides, followed by hydrolysis with water. All new compounds have been characterized by IR spectroscopy, multi-NMR (1H, 13C, 77Se spectroscopy, accurate mass measurement and single crystal X-ray structure analysis.

  5. The electronic fine structure of 4-nitrophenyl functionalized single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Chakraborty, Amit K; Coleman, Karl S; Dhanak, Vinod R

    2009-01-01

    Controlling the electronic structure of carbon nanotubes (CNTs) is of great importance to various CNT based applications. Herein the electronic fine structure of single-walled carbon nanotube films modified with 4-nitrophenyl groups, produced following reaction with 4-nitrobenzenediazonium tetrafluoroborate, was investigated for the first time. Various techniques such as x-ray and ultra-violet photoelectron spectroscopy, and near edge x-ray absorption fine structure studies were used to explore the electronic structure, and the results were compared with the measured electrical resistances. A reduction in number of the π electronic states in the valence band consistent with the increased resistance of the functionalized nanotube films was observed.

  6. Single-particle electron microscopy in the study of membrane protein structure.

    Science.gov (United States)

    De Zorzi, Rita; Mi, Wei; Liao, Maofu; Walz, Thomas

    2016-02-01

    Single-particle electron microscopy (EM) provides the great advantage that protein structure can be studied without the need to grow crystals. However, due to technical limitations, this approach played only a minor role in the study of membrane protein structure. This situation has recently changed dramatically with the introduction of direct electron detection device cameras, which allow images of unprecedented quality to be recorded, also making software algorithms, such as three-dimensional classification and structure refinement, much more powerful. The enhanced potential of single-particle EM was impressively demonstrated by delivering the first long-sought atomic model of a member of the biomedically important transient receptor potential channel family. Structures of several more membrane proteins followed in short order. This review recounts the history of single-particle EM in the study of membrane proteins, describes the technical advances that now allow this approach to generate atomic models of membrane proteins and provides a brief overview of some of the membrane protein structures that have been studied by single-particle EM to date. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  7. Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape

    OpenAIRE

    Ferreon, Allan Chris M.; Moosa, Mahdi Muhammad; Gambin, Yann; Deniz, Ashok A.

    2012-01-01

    Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster reson...

  8. The acute spectral structure of single-domain YBa2Cu3O6.9

    International Nuclear Information System (INIS)

    Tobin, J.G.; Solal, F.R.; Fluss, J.M.; Olson, C.G.; Gu, C.; Liu, J.Z.

    1991-01-01

    Extraordinarily sharp spectral features at binding energies near 1eV have been observed in the photoemission spectra of untwinned, single crystal YBa 2 Cu 3 O 6.9 . This is the first observation of such distinctive electronic structure away from the near-Fermi Energy regime, It suggests that the entire valence band electronic structure, not merely the Fermiology, may provide insight into the nature of high temperature superconducting cuprates. 10 refs., 5 figs

  9. Protein secondary structure prediction for a single-sequence using hidden semi-Markov models

    Directory of Open Access Journals (Sweden)

    Borodovsky Mark

    2006-03-01

    Full Text Available Abstract Background The accuracy of protein secondary structure prediction has been improving steadily towards the 88% estimated theoretical limit. There are two types of prediction algorithms: Single-sequence prediction algorithms imply that information about other (homologous proteins is not available, while algorithms of the second type imply that information about homologous proteins is available, and use it intensively. The single-sequence algorithms could make an important contribution to studies of proteins with no detected homologs, however the accuracy of protein secondary structure prediction from a single-sequence is not as high as when the additional evolutionary information is present. Results In this paper, we further refine and extend the hidden semi-Markov model (HSMM initially considered in the BSPSS algorithm. We introduce an improved residue dependency model by considering the patterns of statistically significant amino acid correlation at structural segment borders. We also derive models that specialize on different sections of the dependency structure and incorporate them into HSMM. In addition, we implement an iterative training method to refine estimates of HSMM parameters. The three-state-per-residue accuracy and other accuracy measures of the new method, IPSSP, are shown to be comparable or better than ones for BSPSS as well as for PSIPRED, tested under the single-sequence condition. Conclusions We have shown that new dependency models and training methods bring further improvements to single-sequence protein secondary structure prediction. The results are obtained under cross-validation conditions using a dataset with no pair of sequences having significant sequence similarity. As new sequences are added to the database it is possible to augment the dependency structure and obtain even higher accuracy. Current and future advances should contribute to the improvement of function prediction for orphan proteins inscrutable

  10. Protein structural model selection by combining consensus and single scoring methods.

    Directory of Open Access Journals (Sweden)

    Zhiquan He

    Full Text Available Quality assessment (QA for predicted protein structural models is an important and challenging research problem in protein structure prediction. Consensus Global Distance Test (CGDT methods assess each decoy (predicted structural model based on its structural similarity to all others in a decoy set and has been proved to work well when good decoys are in a majority cluster. Scoring functions evaluate each single decoy based on its structural properties. Both methods have their merits and limitations. In this paper, we present a novel method called PWCom, which consists of two neural networks sequentially to combine CGDT and single model scoring methods such as RW, DDFire and OPUS-Ca. Specifically, for every pair of decoys, the difference of the corresponding feature vectors is input to the first neural network which enables one to predict whether the decoy-pair are significantly different in terms of their GDT scores to the native. If yes, the second neural network is used to decide which one of the two is closer to the native structure. The quality score for each decoy in the pool is based on the number of winning times during the pairwise comparisons. Test results on three benchmark datasets from different model generation methods showed that PWCom significantly improves over consensus GDT and single scoring methods. The QA server (MUFOLD-Server applying this method in CASP 10 QA category was ranked the second place in terms of Pearson and Spearman correlation performance.

  11. Clustered atom-replaced structure in single-crystal-like metal oxide

    Science.gov (United States)

    Araki, Takeshi; Hayashi, Mariko; Ishii, Hirotaka; Yokoe, Daisaku; Yoshida, Ryuji; Kato, Takeharu; Nishijima, Gen; Matsumoto, Akiyoshi

    2018-06-01

    By means of metal organic deposition using trifluoroacetates (TFA-MOD), we replaced and localized two or more atoms in a single-crystalline structure having almost perfect orientation. Thus, we created a new functional structure, namely, clustered atom-replaced structure (CARS), having single-crystal-like metal oxide. We replaced metals in the oxide with Sm and Lu and localized them. Energy dispersive x-ray spectroscopy results, where the Sm signal increases with the Lu signal in the single-crystalline structure, confirm evidence of CARS. We also form other CARS with three additional metals, including Pr. The valence number of Pr might change from 3+ to approximately 4+, thereby reducing the Pr–Ba distance. We directly observed the structure by a high-angle annular dark-field image, which provided further evidence of CARS. The key to establishing CARS is an equilibrium chemical reaction and a combination of additional larger and smaller unit cells to matrix cells. We made a new functional metal oxide with CARS and expect to realize CARS in other metal oxide structures in the future by using the above-mentioned process.

  12. Gallium arsenide single crystal solar cell structure and method of making

    Science.gov (United States)

    Stirn, Richard J. (Inventor)

    1983-01-01

    A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

  13. Structural defect generation in indium antimonide single crystals during electro-erosion cutting

    International Nuclear Information System (INIS)

    Kravetskij, M.Yu.; Matsas, E.P.; Skorokhod, M.Ya.; Fomin, A.V.; Khromyak, K.Ya.

    1990-01-01

    Using X-ray topography structural defects generating during electro-erosion cutting of InSb single crystals are studied. It is shown that dislocations, are introduced into so cut dislocation-free ingot plates, nucleation centers being located on their surfaces. It is detected that foreign phase inclusions in InSb are efficient sources of dislocations during cutting

  14. Single Nanostructure Electrochemical Devices for Studying Electronic Properties and Structural Changes in Lithiated Si Nanowires

    KAUST Repository

    McDowell, Matthew T.; Cui, Yi

    2011-01-01

    Nanostructured Si is a promising anode material for the next generation of Li-ion batteries, but few studies have focused on the electrical properties of the Li-Si alloy phase, which are important for determining power capabilities and ensuring sufficient electrical conduction in the electrode structure. Here, we demonstrate an electrochemical device framework suitable for testing the electrical properties of single Si nanowires (NWs) at different lithiation states and correlating these properties with structural changes via transmission electron microscopy (TEM). We fi nd that single Si NWs usually exhibit Ohmic I - V response in the lithiated state, with conductivities two to three orders of magnitude higher than in the delithiated state. After a number of sequential lithiation/delithiation cycles, the single NWs show similar conductivity after each lithiation step but show large variations in conductivity in the delithiated state. Finally, devices with groups of NWs in physical contact were fabricated, and structural changes in the NWs were observed after lithiation to investigate how the electrical resistance of NW junctions and the NWs themselves affect the lithiation behavior. The results suggest that electrical resistance of NW junctions can limit lithiation. Overall, this study shows the importance of investigating the electronic properties of individual components of a battery electrode (single nanostructures in this case) along with studying the nature of interactions within a collection of these component structures. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

    African Journals Online (AJOL)

    Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

  16. Single Nanostructure Electrochemical Devices for Studying Electronic Properties and Structural Changes in Lithiated Si Nanowires

    KAUST Repository

    McDowell, Matthew T.

    2011-07-19

    Nanostructured Si is a promising anode material for the next generation of Li-ion batteries, but few studies have focused on the electrical properties of the Li-Si alloy phase, which are important for determining power capabilities and ensuring sufficient electrical conduction in the electrode structure. Here, we demonstrate an electrochemical device framework suitable for testing the electrical properties of single Si nanowires (NWs) at different lithiation states and correlating these properties with structural changes via transmission electron microscopy (TEM). We fi nd that single Si NWs usually exhibit Ohmic I - V response in the lithiated state, with conductivities two to three orders of magnitude higher than in the delithiated state. After a number of sequential lithiation/delithiation cycles, the single NWs show similar conductivity after each lithiation step but show large variations in conductivity in the delithiated state. Finally, devices with groups of NWs in physical contact were fabricated, and structural changes in the NWs were observed after lithiation to investigate how the electrical resistance of NW junctions and the NWs themselves affect the lithiation behavior. The results suggest that electrical resistance of NW junctions can limit lithiation. Overall, this study shows the importance of investigating the electronic properties of individual components of a battery electrode (single nanostructures in this case) along with studying the nature of interactions within a collection of these component structures. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Structural Model for Antisocial Behavior: Generalization to Single-Mother Families.

    Science.gov (United States)

    Baldwin, David V.; Skinner, Martie L.

    1989-01-01

    The purpose of this study was to replicate the "basic training" structural model in Patterson's (1982) coercion theory, extending its scope to single-mother families with younger (six- to eight-year-old) boys. Significance of the successful replication was seen to lie in implications for the generalizability of the model across family…

  18. Atomic-scale structure of single-layer MoS2 nanoclusters

    DEFF Research Database (Denmark)

    Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...

  19. Synthesis and structural characterization of bulk Sb2Te3 single crystal

    Science.gov (United States)

    Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

    2018-05-01

    We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.

  20. Studies of the neutron single-particle structure of exotic nuclei at the HRIBF

    International Nuclear Information System (INIS)

    Thomas, J.S.; Bardayan, D.W.; Blackmon, J.C.; Cizewski, J.A.; Greife, U.; Gross, C.J.; Johnson, M.S.; Jones, K.L.; Kozub, R.L.; Liang, J.F.; Livesay, R.J.; Ma, Z.; Moazen, B.H.; Nesaraja, C.D.; Shapira, D.; Smith, M.S.

    2004-01-01

    The study of neutron single-particle strengths in neutron-rich nuclei is of interest for nuclear structure and nuclear astrophysics. The distribution of single-particle strengths constrains the effective Hamiltonian and pairing interactions and determines neutron interaction rates that are crucial for understanding the synthesis of heavy nuclei in supernovae via the rapid neutron capture process. Particularly important are the neutron single-particle levels in nuclei near closed neutron shells. Radioactive ion beams from the Holifield Radioactive Ion Beam Facility have been used to study (d,p) reactions in inverse kinematics in order to probe neutron single-particle states in exotic nuclei. The results of a measurement with a 82 Ge beam will be presented

  1. Mechanical adaptability of the Bouligand-type structure in natural dermal armour

    Science.gov (United States)

    Zimmermann, Elizabeth A.; Gludovatz, Bernd; Schaible, Eric; Dave, Neil K. N.; Yang, Wen; Meyers, Marc A.; Ritchie, Robert O.

    2013-10-01

    Arapaima gigas, a fresh water fish found in the Amazon Basin, resist predation by piranhas through the strength and toughness of their scales, which act as natural dermal armour. Arapaima scales consist of a hard, mineralized outer shell surrounding a more ductile core. This core region is composed of aligned mineralized collagen fibrils arranged in distinct lamellae. Here we show how the Bouligand-type (twisted plywood) arrangement of collagen fibril lamellae has a key role in developing their unique protective properties, by using in situ synchrotron small-angle X-ray scattering during mechanical tensile tests to observe deformation mechanisms in the fibrils. Specifically, the Bouligand-type structure allows the lamellae to reorient in response to the loading environment; remarkably, most lamellae reorient towards the tensile axis and deform in tension through stretching/sliding mechanisms, whereas other lamellae sympathetically rotate away from the tensile axis and compress, thereby enhancing the scale’s ductility and toughness to prevent fracture.

  2. Regio-Regular Oligo and Poly(3-hexyl thiophene): Precise Structural Markers from the Vibrational Spectra of Oligomer Single Crystals.

    KAUST Repository

    Brambilla, Luigi; Tommasini, Matteo; Botiz, Ioan; Rahimi, Khosrow; Agumba, John O.; Stingelin, Natalie; Zerbi, Giuseppe

    2014-01-01

    , namely, amorphous, semicrystalline, polycrystalline and single crystal. We have based our analysis on the spectra of the (3HT)8 single crystal (whose structure has been determined by selected area electron diffraction) taken as reference

  3. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  4. Expression of beta-keratin mRNAs and proline uptake in epidermal cells of growing scales and pad lamellae of gecko lizards

    Science.gov (United States)

    Alibardi, Lorenzo; Toni, Mattia; Valle, Luisa Dalla

    2007-01-01

    Beta-keratins form a large part of the proteins contained in the hard beta layer of reptilian scales. The expression of genes encoding glycine–proline-rich beta-keratins in normal and regenerating epidermis of two species of gecko lizards has been studied by in situ hybridization. The probes localize mRNAs in differentiating oberhautchen and beta cells of growing scales and in modified scales, termed pad lamellae, on the digits of gecko lizards. In situ localization at the ultrastructural level shows clusters of gold particles in the cytoplasm among beta-keratin filaments of oberhautchen and beta cells. They are also present in the differentiating elongation or setae of oberhautchen cells present in pad lamellae. Setae allow geckos to adhere and climb vertical surfaces. Oberhautchen and beta cells also incorporate tritiated proline. The fine localization of the beta-keratin mRNAs and the uptake of proline confirms the biomolecular data that identified glycine–proline-rich beta-keratin in differentiating beta cells of gecko epidermis. The present study also shows the presence of differentiating and metabolically active cells in both inner and outer oberhautchen/beta cells at the base of the outer setae localized at the tip of pad lamellae. The addition of new beta and alpha cells to the corneous layer near the tip of the outer setae explains the anterior movement of the setae along the apical free-margin of pad lamellae. The rapid replacement of setae ensures the continuous usage of the gecko's adhesive devices, the pad lamellae, during most of their active life. PMID:17553098

  5. Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction

    DEFF Research Database (Denmark)

    Bagger, Alexander; Ju, Wen; Varela, Ana Sofia

    2017-01-01

    Currently, no catalysts are completely selective for the electrochemical CO2 Reduction Reaction (CO2RR). Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting...... the competing Hydrogen Evolution Reaction (HER). The single metal site in a porphyrine-like structure requires an ontop site binding of hydrogen, compared to the hollow site binding of hydrogen on a metal catalyst surface. The difference in binding site structure gives a fundamental energy-shift in the scaling...... relation of ∼0.3eV between the COOH* vs. H* intermediate (CO2RR vs. HER). As a result, porphyrine-like catalysts have the advantage over metal catalyst of suppressing HER and enhancing CO2RR selectivity....

  6. Structural and optical properties of WTe2 single crystals synthesized by DVT technique

    Science.gov (United States)

    Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

    2018-05-01

    Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

  7. Atomic structures and mechanical properties of single-crystal GaN nanotubes

    International Nuclear Information System (INIS)

    Xu, B.; Lu, A.J.; Pan, B.C.; Yu, Q.X.

    2005-01-01

    An approach is proposed to theoretically construct a realistic single-crystal GaN nanotube at atomic scale. The generated atomic structures of the single-crystal GaN nanotubes match the structural aspects from experiment very well. Our energetic calculations show that a single-crystal GaN nanotube with [100]-oriented lateral facets is more stable than that with [110]-oriented lateral facets, when they have around the same wall thickness. For a specified orientation of the lateral facets on the single-crystal GaN nanotubes, the energetic stabilities of the tubes obey a P rule, in which P is the ratio of the number of four-coordinated atoms to the number of three-coordinated atoms. Furthermore, the Young's modulus of the considered GaN nanotubes decrease with increasing the ratio of the number of bulk atoms to the number of surface atoms in each type of tube. Our calculations and analysis demonstrate that the surface effect of a single-crystal nanotube enhances its Young's modulus significantly

  8. Impact damage response of natural stitched single lap-joint in composite structures

    International Nuclear Information System (INIS)

    Ghasemnejad, H.; Argentiero, Y.; Tez, T.A.; Barrington, P.E.

    2013-01-01

    Highlights: • To study the impact resistance of single lap-joints in composite structures. • To improve the impact resistance of stitched single lap joints using natural Flax yarn. • To investigate the effect of stitching on the damage process of composite materials. • To develop FE techniques to model the impact process of composite structures using LSDYNA. - Abstract: In this paper the damage behaviour of natural stitched composite single lap-joints are investigated under low velocity impact loading conditions. For this study, the laminated hybrid composite beams were pinned using Flax yarns before curing process. The Charpy impact test was chosen to study the energy absorbing capability of single lap composite joints. Composite beams were fabricated from combination of glass/epoxy and carbon/epoxy composites. It was shown that composite beams which are stitched through the thickness are able to absorb more energy in comparison with adhesive bonded composite joints in the hybrid composite beams. The Charpy impact test of stitched composite single lap joint was also simulated by finite element analysis using software LS-DYNA and the results verified with relevant experimental data

  9. Self-Structured Organizing Single-Input CMAC Control for Robot Manipulator

    Directory of Open Access Journals (Sweden)

    ThanhQuyen Ngo

    2011-09-01

    Full Text Available This paper represents a self-structured organizing single-input control system based on differentiable cerebellar model articulation controller (CMAC for an n-link robot manipulator to achieve the high-precision position tracking. In the proposed scheme, the single-input CMAC controller is solely used to control the plant, so the input space dimension of CMAC can be simplified and no conventional controller is needed. The structure of single-input CMAC will also be self-organized; that is, the layers of single-input CMAC will grow or prune systematically and their receptive functions can be automatically adjusted. The online tuning laws of single-input CMAC parameters are derived in gradient-descent learning method and the discrete-type Lyapunov function is applied to determine the learning rates of proposed control system so that the stability of the system can be guaranteed. The simulation results of robot manipulator are provided to verify the effectiveness of the proposed control methodology.

  10. Structure observation of single solidified droplet by in situ controllable quenching based on nanocalorimetry

    International Nuclear Information System (INIS)

    Zhao, Bingge; Li, Linfang; Yang, Bin; Yan, Ming; Zhai, Qijie; Gao, Yulai

    2013-01-01

    Highlights: •Controllable quenching rate up to 15,000 K/s was realized by FSC. •FSC sample was novelly characterized by FIB and HRTEM. •Solidification structure with undercooling of 110.9 K was investigated. •This study opens a new approach in rapid solidification and FSC measurement. -- Abstract: Fast scanning calorimetry (FSC) based on nanocalorimetry and thin film technique is a newly developed attractive tool to investigate the solidification behavior of single droplet by in situ controllable ultrafast cooling. In this paper, we introduced this novel technique to in situ control the quenching of single Sn3.5Ag metallic droplet at cooling rate up to 15,000 K/s with corresponding undercooling of 110.9 K. In particular, the solidification structure of this real time quenched single droplet was observed and analyzed with focused ion beam (FIB), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM). This research proposed a new approach to research the solidification structure of single droplet with precisely controlled size and extreme cooling rate

  11. Cyclic saturation dislocation structures of multiple-slip-oriented copper single crystals

    International Nuclear Information System (INIS)

    Li, X.W.; Chinese Academy of Sciences, Shenyang; Umakoshi, Y.; Li, S.X.; Wang, Z.G.

    2001-01-01

    The dislocation structures of [011] and [ anti 111] multiple-slip-oriented Cu single crystals cyclically saturated at constant plastic strain amplitudes were investigated through transmission electron microscopy. The results obtained on [001] multiple-slip-oriented Cu single crystals were also included for summarization. Unlike the case for single-slip-oriented Cu single crystals, the crystallographic orientation has a strong effect on the saturation dislocation structure in these three multiple-slip-oriented crystals. For the [011] crystal, different dislocation patterns such as veins, PSB walls, labyrinths and PSB ladders were observed. The formation of PSB ladders is believed to be a major reason for the existence of a plateau region in the cyclic stress-strain (CSS) curve for the [011] crystal. The cyclic saturation dislocation structure of a [ anti 111] crystal cycled at a low applied strain amplitude γ pl of 2.0 x 10 -4 was found to consist of irregular cells, which would develop into a more regular arrangement (e. g. PSB ladder-like) and the scale of which tends to decrease with increasing γ pl . Finally, three kinds of representative micro-deformation mode were summarized and termed as labyrinth-mode (or [001]-mode), cell-mode (or [ anti 111]-mode) and PSB ladder-mode (or [011]-mode). (orig.)

  12. Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

    International Nuclear Information System (INIS)

    Liu, Jian; Li, Xi-Bo; Wang, Da; Liu, Li-Min; Lau, Woon-Ming; Peng, Ping

    2014-01-01

    The family of bulk metal phosphorus trichalcogenides (APX 3 , A = M II , M 0.5 I M 0.5 III ; X = S, Se; M I , M II , and M III represent Group-I, Group-II, and Group-III metals, respectively) has attracted great attentions because such materials not only own magnetic and ferroelectric properties, but also exhibit excellent properties in hydrogen storage and lithium battery because of the layered structures. Many layered materials have been exfoliated into two-dimensional (2D) materials, and they show distinct electronic properties compared with their bulks. Here we present a systematical study of single-layer metal phosphorus trichalcogenides by density functional theory calculations. The results show that the single layer metal phosphorus trichalcogenides have very low formation energies, which indicates that the exfoliation of single layer APX 3 should not be difficult. The family of single layer metal phosphorus trichalcogenides exhibits a large range of band gaps from 1.77 to 3.94 eV, and the electronic structures are greatly affected by the metal or the chalcogenide atoms. The calculated band edges of metal phosphorus trichalcogenides further reveal that single-layer ZnPSe 3 , CdPSe 3 , Ag 0.5 Sc 0.5 PSe 3 , and Ag 0.5 In 0.5 PX 3 (X = S and Se) have both suitable band gaps for visible-light driving and sufficient over-potentials for water splitting. More fascinatingly, single-layer Ag 0.5 Sc 0.5 PSe 3 is a direct band gap semiconductor, and the calculated optical absorption further convinces that such materials own outstanding properties for light absorption. Such results demonstrate that the single layer metal phosphorus trichalcogenides own high stability, versatile electronic properties, and high optical absorption, thus such materials have great chances to be high efficient photocatalysts for water-splitting

  13. Spatial organization of plastic deformation in single crystals with different structure of slip dislocation

    Energy Technology Data Exchange (ETDEWEB)

    Kunitsyna, T. S.; Teplyakova, L. A., E-mail: lat168@mail.ru; Koneva, N. A. [Tomsk State University of Architecture and Building, Tomsk, 634003 (Russian Federation); Poltaranin, M. A. [National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation)

    2015-10-27

    It is established that different structure of slip dislocation at the end of the linear hardening stage results in different distribution of dislocation charges in the volume of a single crystal. In the alloy with a near atomic order the slip of single dislocations leads to formation of planar structures—layers with the excess density of dislocations. In the alloy with long-range atomic order the slip of superdislocations brings the formation of the system of parallel rod-like charged dislocation linking.

  14. Single jet structure in e[sup +]e[sup -] annihilation

    Energy Technology Data Exchange (ETDEWEB)

    Bianchi, F. (Turin Univ. (Italy). Dipt. di Fisica Sperimentale INFN, Turin (Italy)); Giovannini, A.; Lupia, S.; Ugoccioni, R. (Turin Univ. (Italy). Dipt. di Fisica Teorica INFN, Turin (Italy))

    1993-04-01

    By using JETSET 7.2 as e[sup +]e[sup -] event generator at different c.m. energies, we studied single jet multiplicity distributions in different rapidity and p[sub T] intervals. Good NB behavior is found and related clan structure analysis is performed. Observed differences in the behavior of the 2- and 3-jet samples can be understood in terms of the relative contribution of single quark and gluon jet to the 3-jet sample, which are obtained by selecting event by event in this sample the highest and the lowest energy jet respectively. (orig.).

  15. Method of growing yttrium aluminate and/or lanthanide single crystals with perovskite structure

    International Nuclear Information System (INIS)

    Kvapil, Jiri; Perner, B.; Kvapil, Josef; Blazek, K.

    1989-01-01

    Single crystals of yttrium aluminate and/or lanthanide with perovskite structure are grown from melt in a vacuum at a pressure of gas residues of max. 0.01 Pa. The melt contains 1±0.05 gram-ions of aluminium per gram-ion of yttrium and/or lanthanides. The single crystals are then heated in a vacuum (0.01 Pa) at temperatures of 1,450 to 1,800 degC for 2 to 3 hours. (B.S.)

  16. Single Fluorescent Molecules as Nano-Illuminators for Biological Structure and Function

    Science.gov (United States)

    Moerner, W. E.

    2011-03-01

    Since the first optical detection and spectroscopy of a single molecule in a solid (Phys. Rev. Lett. {62}, 2535 (1989)), much has been learned about the ability of single molecules to probe local nanoenvironments and individual behavior in biological and nonbiological materials in the absence of ensemble averaging that can obscure heterogeneity. Because each single fluorophore acts a light source roughly 1 nm in size, microscopic imaging of individual fluorophores leads naturally to superlocalization, or determination of the position of the molecule with precision beyond the optical diffraction limit, simply by digitization of the point-spread function from the single emitter. For example, the shape of single filaments in a living cell can be extracted simply by allowing a single molecule to move through the filament (PNAS {103}, 10929 (2006)). The addition of photoinduced control of single-molecule emission allows imaging beyond the diffraction limit (super-resolution) and a new array of acronyms (PALM, STORM, F-PALM etc.) and advances have appeared. We have used the native blinking and switching of a common yellow-emitting variant of green fluorescent protein (EYFP) reported more than a decade ago (Nature {388}, 355 (1997)) to achieve sub-40 nm super-resolution imaging of several protein structures in the bacterium Caulobacter crescentus: the quasi-helix of the actin-like protein MreB (Nat. Meth. {5}, 947 (2008)), the cellular distribution of the DNA binding protein HU (submitted), and the recently discovered division spindle composed of ParA filaments (Nat. Cell Biol. {12}, 791 (2010)). Even with these advances, better emitters would provide more photons and improved resolution, and a new photoactivatable small-molecule emitter has recently been synthesized and targeted to specific structures in living cells to provide super-resolution images (JACS {132}, 15099 (2010)). Finally, a new optical method for extracting three-dimensional position information based on

  17. Combination of structured illumination and single molecule localization microscopy in one setup

    International Nuclear Information System (INIS)

    Rossberger, Sabrina; Best, Gerrit; Birk, Udo; Cremer, Christoph; Baddeley, David; Heintzmann, Rainer; Dithmar, Stefan

    2013-01-01

    Understanding the positional and structural aspects of biological nanostructures simultaneously is as much a challenge as a desideratum. In recent years, highly accurate (20 nm) positional information of optically isolated targets down to the nanometer range has been obtained using single molecule localization microscopy (SMLM), while highly resolved (100 nm) spatial information has been achieved using structured illumination microscopy (SIM). In this paper, we present a high-resolution fluorescence microscope setup which combines the advantages of SMLM with SIM in order to provide high-precision localization and structural information in a single setup. Furthermore, the combination of the wide-field SIM image with the SMLM data allows us to identify artifacts produced during the visualization process of SMLM data, and potentially also during the reconstruction process of SIM images. We describe the SMLM–SIM combo and software, and apply the instrument in a first proof-of-principle to the same region of H3K293 cells to achieve SIM images with high structural resolution (in the 100 nm range) in overlay with the highly accurate position information of localized single fluorophores. Thus, with its robust control software, efficient switching between the SMLM and SIM mode, fully automated and user-friendly acquisition and evaluation software, the SMLM–SIM combo is superior over existing solutions. (special issue article)

  18. Combination of structured illumination and single molecule localization microscopy in one setup

    Science.gov (United States)

    Rossberger, Sabrina; Best, Gerrit; Baddeley, David; Heintzmann, Rainer; Birk, Udo; Dithmar, Stefan; Cremer, Christoph

    2013-09-01

    Understanding the positional and structural aspects of biological nanostructures simultaneously is as much a challenge as a desideratum. In recent years, highly accurate (20 nm) positional information of optically isolated targets down to the nanometer range has been obtained using single molecule localization microscopy (SMLM), while highly resolved (100 nm) spatial information has been achieved using structured illumination microscopy (SIM). In this paper, we present a high-resolution fluorescence microscope setup which combines the advantages of SMLM with SIM in order to provide high-precision localization and structural information in a single setup. Furthermore, the combination of the wide-field SIM image with the SMLM data allows us to identify artifacts produced during the visualization process of SMLM data, and potentially also during the reconstruction process of SIM images. We describe the SMLM-SIM combo and software, and apply the instrument in a first proof-of-principle to the same region of H3K293 cells to achieve SIM images with high structural resolution (in the 100 nm range) in overlay with the highly accurate position information of localized single fluorophores. Thus, with its robust control software, efficient switching between the SMLM and SIM mode, fully automated and user-friendly acquisition and evaluation software, the SMLM-SIM combo is superior over existing solutions.

  19. Determining Complex Structures using Docking Method with Single Particle Scattering Data

    Directory of Open Access Journals (Sweden)

    Haiguang Liu

    2017-04-01

    Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

  20. Kink structures induced in nickel-based single crystal superalloys by high-Z element migration

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Fei; Zhang, Jianxin [Key Laboratory for Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Mao, Shengcheng [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing 100124 (China); Jiang, Ying [Center of Electron Microscopy and State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Feng, Qiang [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Shen, Zhenju; Li, Jixue; Zhang, Ze [Center of Electron Microscopy and State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Han, Xiaodong [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing 100124 (China)

    2015-01-05

    Highlights: • Innovative kink structures generate at the γ/γ′ interfaces in the crept superalloy. • Clusters of heavy elements congregate at the apex of the kinks. • Dislocation core absorbs hexagonal structural high-Z elements. - Abstract: Here, we investigate a new type of kink structure that is found at γ/γ′ interfaces in nickel-based single crystal superalloys. We studied these structures at the atomic and elemental level using aberration corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). The core of the dislocation absorbs high-Z elements (i.e., Co and Re) that adopt hexagonal arrangements, and it extrudes elements (i.e., Ni and Al) that adopt face centered cubic (fcc) structures. High-Z elements (i.e., Ta and W) and Cr, which is a low-Z element, are stabilized in body centered cubic (bcc) arrangements; Cr tends to behave like Re. High-Z elements, which migrate and adopt a hexagonal structure, induce kink formation at γ/γ′ interfaces. This process must be analyzed to fully understand the kinetics and dynamics of creep in nickel-based single crystal superalloys.

  1. Using machine learning to identify structural breaks in single-group interrupted time series designs.

    Science.gov (United States)

    Linden, Ariel; Yarnold, Paul R

    2016-12-01

    Single-group interrupted time series analysis (ITSA) is a popular evaluation methodology in which a single unit of observation is being studied, the outcome variable is serially ordered as a time series and the intervention is expected to 'interrupt' the level and/or trend of the time series, subsequent to its introduction. Given that the internal validity of the design rests on the premise that the interruption in the time series is associated with the introduction of the treatment, treatment effects may seem less plausible if a parallel trend already exists in the time series prior to the actual intervention. Thus, sensitivity analyses should focus on detecting structural breaks in the time series before the intervention. In this paper, we introduce a machine-learning algorithm called optimal discriminant analysis (ODA) as an approach to determine if structural breaks can be identified in years prior to the initiation of the intervention, using data from California's 1988 voter-initiated Proposition 99 to reduce smoking rates. The ODA analysis indicates that numerous structural breaks occurred prior to the actual initiation of Proposition 99 in 1989, including perfect structural breaks in 1983 and 1985, thereby casting doubt on the validity of treatment effects estimated for the actual intervention when using a single-group ITSA design. Given the widespread use of ITSA for evaluating observational data and the increasing use of machine-learning techniques in traditional research, we recommend that structural break sensitivity analysis is routinely incorporated in all research using the single-group ITSA design. © 2016 John Wiley & Sons, Ltd.

  2. Should researchers use single indicators, best indicators, or multiple indicators in structural equation models?

    Directory of Open Access Journals (Sweden)

    Hayduk Leslie A

    2012-10-01

    Full Text Available Abstract Background Structural equation modeling developed as a statistical melding of path analysis and factor analysis that obscured a fundamental tension between a factor preference for multiple indicators and path modeling’s openness to fewer indicators. Discussion Multiple indicators hamper theory by unnecessarily restricting the number of modeled latents. Using the few best indicators – possibly even the single best indicator of each latent – encourages development of theoretically sophisticated models. Additional latent variables permit stronger statistical control of potential confounders, and encourage detailed investigation of mediating causal mechanisms. Summary We recommend the use of the few best indicators. One or two indicators are often sufficient, but three indicators may occasionally be helpful. More than three indicators are rarely warranted because additional redundant indicators provide less research benefit than single indicators of additional latent variables. Scales created from multiple indicators can introduce additional problems, and are prone to being less desirable than either single or multiple indicators.

  3. Study of structural and optical properties of YAG and Nd:YAG single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kostić, S. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Lazarević, Z.Ž., E-mail: lzorica@yahoo.com [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Radojević, V. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia); Milutinović, A.; Romčević, M.; Romčević, N.Ž. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Valčić, A. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia)

    2015-03-15

    Highlights: • Transparent YAG and pale pink Nd:YAG single crystals were produced by the Czochralski technique. • Growth mechanisms and shape of the liquid/solid interface and incorporation of Nd{sup 3+} were studied. • The structure of the crystals was investigated by X-ray diffraction, Raman and IR spectroscopy. • The 15 Raman and 17 IR modes were observed. • The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. - Abstract: Yttrium aluminum garnet (YAG, Y{sub 3}Al{sub 5}O{sub 12}) and yttrium aluminum garnet doped with neodymium (Nd:YAG) single crystals were grown by the Czochralski technique. The critical diameter and the critical rate of rotation were calculated. Suitable polishing and etching solutions were determined. As a result of our experiments, the transparent YAG and pale pink Nd:YAG single crystals were produced. The obtained crystals were studied by X-ray diffraction, Raman and IR spectroscopy. The crystal structure was confirmed by XRD. The 15 Raman and 17 IR modes were observed. The Raman and IR spectroscopy results are in accordance with X-ray diffraction analysis. The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. The absence of a core was confirmed by viewing polished crystal slices. Also, it is important to emphasize that the obtained Nd:YAG single crystal has a concentration of 0.8 wt.% Nd{sup 3+} that is characteristic for laser materials.

  4. The incidence angle influence on the structure of secondary-emission characteristics of single crystals

    International Nuclear Information System (INIS)

    Gasanov, E.R.; Aliyev, B.Z.

    2012-01-01

    Full text : The dependences of Wand MO single crystals in different atom planes have been studied in this work. It is revealed that maximums are added to each dependency and also minimums of first and second degree. This fact is explained by diffraction dynamic theory. It is established that electron diffraction oriented not perpendicularly to crystal surface is the reason of appearance of second order structure on studied secondary-emission characteristics. In the present work being the continuation and development of SEE investigations of high-melting metal single crystals begun earlier by authors, the structure dependence of SEE main characteristics of angle has been studied. This angle has been chosen because as it is mentioned before the bad repeatability in different experiments for it is observed

  5. Spontaneous formation of structurally diverse membrane channel architectures from a single antimicrobial peptide

    Science.gov (United States)

    Wang, Yukun; Chen, Charles H.; Hu, Dan; Ulmschneider, Martin B.; Ulmschneider, Jakob P.

    2016-11-01

    Many antimicrobial peptides (AMPs) selectively target and form pores in microbial membranes. However, the mechanisms of membrane targeting, pore formation and function remain elusive. Here we report an experimentally guided unbiased simulation methodology that yields the mechanism of spontaneous pore assembly for the AMP maculatin at atomic resolution. Rather than a single pore, maculatin forms an ensemble of structurally diverse temporarily functional low-oligomeric pores, which mimic integral membrane protein channels in structure. These pores continuously form and dissociate in the membrane. Membrane permeabilization is dominated by hexa-, hepta- and octamers, which conduct water, ions and small dyes. Pores form by consecutive addition of individual helices to a transmembrane helix or helix bundle, in contrast to current poration models. The diversity of the pore architectures--formed by a single sequence--may be a key feature in preventing bacterial resistance and could explain why sequence-function relationships in AMPs remain elusive.

  6. Spin and lattice structures of single-crystalline SrFe2As2

    Science.gov (United States)

    Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

    2008-10-01

    We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

  7. The crystal structure and twinning of neodymium gallium perovskite single crystals

    International Nuclear Information System (INIS)

    Ubizskii, S.B.; Vasylechko, L.O.; Savytskii, D.I.; Matkovskii, A.O.; Syvorotka, I.M.

    1994-01-01

    By means of X-ray structure analysis, the crystal structure of neodymium gallium perovskite (NGP) single crystals (NdGaO 3 ) being used as a substrate for HTSC film epitaxy has been refined and the position of atoms has been determined. The possibility of YBa 2 Cu 3 O 7-x film epitaxy on the plane (110) of NGP crystal as well as its advantages and pitfalls are analysed from structural data. The twinning types in the NGP crystal were established. The twinning structure of NGP substrates is found to be stable up to a temperature of 1173 K, as differentiated from the LaGaO 3 and LaAlO 3 substrates. It is intimated that the twinning in the NGP substrates oriented as (001) can result in creation of 90 degrees twin bonds in a film, and in the case of (110)-oriented plates it is possible to ignore the twinning presence in substrate completely. (author)

  8. Hydrogen-induced structural transition in single layer ReS2

    Science.gov (United States)

    Yagmurcukardes, M.; Bacaksiz, C.; Senger, R. T.; Sahin, H.

    2017-09-01

    By performing density functional theory-based calculations, we investigate how structural, electronic and mechanical properties of single layer ReS2 can be tuned upon hydrogenation of its surfaces. It is found that a stable, fully hydrogenated structure can be obtained by formation of strong S-H bonds. The optimized atomic structure of ReS2H2 is considerably different than that of the monolayer ReS2 which has a distorted-1T phase. By performing phonon dispersion calculations, we also predict that the Re2-dimerized 1T structure (called 1T {{}\\text{R{{\\text{e}}2}}} ) of the ReS2H2 is dynamically stable. Unlike the bare ReS2 the 1T {{}\\text{R{{\\text{e}}2}}} -ReS2H2 structure which is formed by breaking the Re4 clusters into separated Re2 dimers, is an indirect-gap semiconductor. Furthermore, mechanical properties of the 1T {{}\\text{R{{\\text{e}}2}}} phase in terms of elastic constants, in-plane stiffness (C) and Poisson ratio (ν) are investigated. It is found that full hydrogenation not only enhances the flexibility of the single layer ReS2 crystal but also increases anisotropy of the elastic constants.

  9. Coupling of a single active nanoparticle to a polymer-based photonic structure

    Directory of Open Access Journals (Sweden)

    Dam Thuy Trang Nguyen

    2016-03-01

    Full Text Available The engineered coupling between a guest moiety (molecule, nanoparticle and the host photonic nanostructure may provide a great enhancement of the guest optical response, leading to many attractive applications. In this article, we describe briefly the basic concept and some recent progress considering the coupling of a single nanoparticle into a photonic structure. Different kinds of nanoparticles of great interest including quantum dots and nitrogen-vacancy centers in nanodiamond for single photon source, nonlinear nanoparticles for efficient nonlinear effect and sensors, magnetic nanoparticles for Kerr magneto-optical effect, and plasmonic nanoparticles for ultrafast optical switching and sensors, are briefly reviewed. We focus further on the coupling of plasmonic gold nanoparticles and polymeric photonic structures by optimizing theoretically the photonic structures and developing efficient way to realize desired hybrid structures. The simple and low-cost fabrication technique, the optical enhancement of the fluorescent nanoparticles induced by the photonic structure, as well as the limitations, challenges and appealing prospects are discussed in details.

  10. The structures of passivated layers on the single crystals of austenitic steels

    International Nuclear Information System (INIS)

    Glownia, J.; Banas, J.

    1995-01-01

    In this work, the conditions of passivation and structure of passive layers on the single crystals in Fe-Cr18-Ni9 alloys are presented. The data shown the differences in the rate of passivation and in stability of passive layers on the (001), (011) and (111) surfaces. The passive layers are composed with the mixture of Fe +2 and Cr +3 oxides and hydroxides. On the (001) surface, the depth of passive layer is greater than on the (111) surface. (author)

  11. Time structure of ns duration bunches with single crystal diamond detector

    Energy Technology Data Exchange (ETDEWEB)

    Duenas, J.A., E-mail: jose.duenas@dfa.uhu.es [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Campus de El Carmen, 21071 Huelva (Spain); Ausset, P. [Institut de Physique Nucleaire d' Orsay (IPNO), Universite Paris-Sub 11, CNRS/IN2P3, 91406 Orsay Cedex (France); Berjillos, R. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Campus de El Carmen, 21071 Huelva (Spain); Gardes, D.; Junquera, T.; Lavergne, L. [Institut de Physique Nucleaire d' Orsay (IPNO), Universite Paris-Sub 11, CNRS/IN2P3, 91406 Orsay Cedex (France); Martel, I. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Campus de El Carmen, 21071 Huelva (Spain); Martinet, G.; Rauly, E.; Said, A. [Institut de Physique Nucleaire d' Orsay (IPNO), Universite Paris-Sub 11, CNRS/IN2P3, 91406 Orsay Cedex (France); Sanchez Benitez, A.M. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Campus de El Carmen, 21071 Huelva (Spain); Semsoun, A.; Waast, B. [Institut de Physique Nucleaire d' Orsay (IPNO), Universite Paris-Sub 11, CNRS/IN2P3, 91406 Orsay Cedex (France)

    2011-06-11

    A single crystal diamond detector (SC-DD) has been used to obtain the time structure of bunches with lengths between 4 and 88 ns. This was achieved by setting an electronic chain based on a time-to-amplitude converter (TAC), which used the output of the diamond detector as the start of the time interval, and the accelerator RF as the stop. Moreover, the SC-DD not only provided the time information, but also the energy of the beam.

  12. single crystal growth, x-ray structure analysis, optical band gap

    African Journals Online (AJOL)

    2015-09-01

    Sep 1, 2015 ... Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the ...

  13. Control of the structural parameters in the (Zn – Zn16Ti single crystal growth

    Directory of Open Access Journals (Sweden)

    W. Wołczyński

    2011-10-01

    Full Text Available The (Zn - single crystal was obtained by means of the Bridgman system. Several growth rates were applied during the experiment. The graphite crucible was used in order to perform the solidification process. The unidirectional solidification occurred with the presence of the moving temperature field. The thermal gradient was positive so that the constrained growth of the single crystal was ensured. The (Zn single crystal was doped with small addition of titanium and copper. The titanium formed an intermetallic compound Zn16-Ti. The copper was solved in the solid solution (Zn. The precipitates of (Zn and Zn16-Ti formed a stripes localized cyclically along the single crystal length. The intermetallic compound Zn16-Ti strengthened the (Zn single crystal. The structural transitions were observed in the stripes with the increasing solidification rate. Within the first range of the solidification rates ( the irregular L-shape rod-like intermetalliccompoundwas revealed. At the- threshold growth rate branches disappear continuously till the growth rate equal to. At the same range of growth rates the regular lamellar eutectic structure (Zn – Zn16-Ti appeared continuously and it existed exclusively till the second threshold growth rate equal to. Above the second threshold growth rate the regular rod-like eutectic structure was formed, only. Thegeneral theory for the stationary eutectic solidification was developed. According to this theory the eutectic structure localized within the stripes is formed under stationary state. Therefore, the criterion of the minimum entropy production defines well the stationary solidification. The entropy production was calculated for the regular rod-like eutectic structure formation and for the regular lamellar eutectic structure formation. It was postulated that the observed structure are subjected to the competition. That is why the structural transitionwere observed at therevealedthreshold growth rates.Moreover, it was

  14. Subsurface defects structural evolution in nano-cutting of single crystal copper

    International Nuclear Information System (INIS)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Sun, Yazhou; Guo, Yongbo; Liang, Yingchun

    2015-01-01

    Highlights: • An innovative analysis method is adopted to analyze nano-cutting process accurately. • A characteristic SFT and stair-rod dislocation are found in subsurface defect layer. • The formation mechanism of stair-rod dislocation is investigated. • The local atomic structure of subsurface defects is introduced. - Abstract: In this work, molecular dynamics simulation is performed to study the subsurface defects structural distribution and its evolution during nano-cutting process of single crystal copper. The formation mechanism of chip and machined surface is interviewed by analyzing the dislocation evolution and atomic migration. The centro-symmetry parameter and spherical harmonics method are adopted to characterize the distribution and evolution of the subsurface defect structures and local atomic structures. The results show that stacking faults, dislocation loops, “V-shaped” dislocation loops, and plenty of point defects are formed during the machined surface being formed in shear-slip zone. In subsurface damage layers, stair-rod dislocation, stacking fault tetrahedra, atomic cluster defect, and vacancy defect are formed. And the formation mechanism of stair-rod dislocation is investigated by atomic-scale structure evolution. The local atomic structures of subsurface defects are icosahedrons, hexagonal close packed, body-centered cubic, and defect face center cubic, and the variations of local atomic structures are investigated

  15. Subsurface defects structural evolution in nano-cutting of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quanlong [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Bai, Qingshun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Chen, Jiaxuan, E-mail: wangquanlong0@hit.edu.cn [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Sun, Yazhou [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Guo, Yongbo [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Liang, Yingchun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2015-07-30

    Highlights: • An innovative analysis method is adopted to analyze nano-cutting process accurately. • A characteristic SFT and stair-rod dislocation are found in subsurface defect layer. • The formation mechanism of stair-rod dislocation is investigated. • The local atomic structure of subsurface defects is introduced. - Abstract: In this work, molecular dynamics simulation is performed to study the subsurface defects structural distribution and its evolution during nano-cutting process of single crystal copper. The formation mechanism of chip and machined surface is interviewed by analyzing the dislocation evolution and atomic migration. The centro-symmetry parameter and spherical harmonics method are adopted to characterize the distribution and evolution of the subsurface defect structures and local atomic structures. The results show that stacking faults, dislocation loops, “V-shaped” dislocation loops, and plenty of point defects are formed during the machined surface being formed in shear-slip zone. In subsurface damage layers, stair-rod dislocation, stacking fault tetrahedra, atomic cluster defect, and vacancy defect are formed. And the formation mechanism of stair-rod dislocation is investigated by atomic-scale structure evolution. The local atomic structures of subsurface defects are icosahedrons, hexagonal close packed, body-centered cubic, and defect face center cubic, and the variations of local atomic structures are investigated.

  16. Correlation between modulation structure and electronic inhomogeneity on Pb-doped Bi-2212 single crystals

    International Nuclear Information System (INIS)

    Sugimoto, A.; Kashiwaya, S.; Eisaki, H.; Yamaguchi, H.; Oka, K.; Kashiwaya, H.; Tsuchiura, H.; Tanaka, Y.

    2005-01-01

    The correlation between nanometer-size electronic states and surface structure is investigated by scanning tunneling microscopy/spectroscopy (STM/S) on Pb-doped Bi 2-x Pb x Sr 2 CaCu2O 8+y (Pb-Bi-2212) single crystals. The advantage of the Pb-Bi-2212 samples is that the modulation structure can be totally or locally suppressed depending on the Pb contents and annealing conditions. The superconducting gap (Δ) distribution on modulated Pb-Bi-2212 samples showed the lack of correlation with modulation structure except a slight reduction of superconducting island size for the b-axis direction. On the other hand, the optimal doped Pb-Bi-2212 (x = 0.6) samples obtained by reduced-annealing showed totally non-modulated structure in topography, however, the spatial distribution of Δ still showed inhomogeneity of which features were quite similar to those of modulated samples. These results suggest that the modulation structure is not the dominant origin of inhomogeneity although it modifies the streaky Δ structure sub-dominantly. From the gap structure variation around the border of narrow gap and broad gap regions, a trend of the coexistence of two separated phases i.e., superconducting phase and pseudogap like phase, is detected

  17. Accelerated safety analyses - structural analyses Phase I - structural sensitivity evaluation of single- and double-shell waste storage tanks

    International Nuclear Information System (INIS)

    Becker, D.L.

    1994-11-01

    Accelerated Safety Analyses - Phase I (ASA-Phase I) have been conducted to assess the appropriateness of existing tank farm operational controls and/or limits as now stipulated in the Operational Safety Requirements (OSRs) and Operating Specification Documents, and to establish a technical basis for the waste tank operating safety envelope. Structural sensitivity analyses were performed to assess the response of the different waste tank configurations to variations in loading conditions, uncertainties in loading parameters, and uncertainties in material characteristics. Extensive documentation of the sensitivity analyses conducted and results obtained are provided in the detailed ASA-Phase I report, Structural Sensitivity Evaluation of Single- and Double-Shell Waste Tanks for Accelerated Safety Analysis - Phase I. This document provides a summary of the accelerated safety analyses sensitivity evaluations and the resulting findings

  18. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study.

    Science.gov (United States)

    Di Paolo, Matias; Bossi, Mariano L; Baggio, Ricardo; Suarez, Sebastián A

    2016-10-01

    The synthesis, characterization, structural analysis and fluorescence properties of two rhodamine 6G derivatives are described, namely a propargylamine derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-2-(methylcyanide)spiro[isoindole-1,9'-xanthen]-3(2H)-one (I), and a γ-aminobutyric acid (GABA) derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl)butyricacid (II). Both structures are compared with four similar ones from the Cambridge Structural Database (CSD), and the interactions involved in the stabilization are analyzed using the atoms in molecules (AIM) theory. Finally, a single-crystal in-situ reaction study is presented, carried out by fluorescence methods, which enabled the `opening' of the spirolactam ring in the solid phase.

  19. Microwave measurements of energy lost to longitudinal modes by single electron bunches traversing periodic structures

    International Nuclear Information System (INIS)

    Wang, J.W.; Loew, G.A.; Weaver, J.N.; Wilson, P.B.

    1981-10-01

    In the design of future linear colliders, it will be important to minimize the loss of beam energy due to the excitation of higher-order modes in the accelerator structure by single bunches of electrons or positrons. This loss is not only detrimental in itself but also gives rise to energy spectrum widening and transverse emittance growth. Microwave measurements made on disk-loaded and alternating-spoke structures to determine the loss to the longitudinal modes are described. In these measurements the Gaussian bunch is simulated by a current pulse of the same shape transmitted through the structure on an axial center conductor. Results to date are presented for the total longitudinal loss parameter per period K in volts per picocoulomb

  20. Growth and electronic structure of single-layered transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Dendzik, Maciej

    2016-01-01

    only a weak interaction between SL MoS2 and graphene, which leads to a quasi-freestanding band structure, but also to the coexistence of multiple rotational domains. Measurements of SL WS2 on Ag(111), on the other hand, reveals formation of interesting in-gap states which make WS2 metallic. Low...... different from graphene’s. For example, semiconducting TMDCs undergo an indirectdirect band gap transition when thinned to a single layer (SL); this results in greatly enhanced photoluminescence, making those materials attractive for applications in optoelectronics. Furthermore, metallic TMDCs can host......-quality SL TMDCs. We demonstrate the synthesis of SL MoS2, WS2 and TaS2 on Au(111), Ag(111) and graphene on SiC. The morphology and crystal structure of the synthesized materials is characterized by scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). The electronic structure of SL...

  1. Electronic fine structure and recombination dynamics in single InAs quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Seguin, R.

    2008-01-28

    In the work at hand single InAs/GaAs quantum dots (QDs) are examined via cathodoluminescence spectroscopy. A thorough analysis of the spectra leads to an unambiguous assignment of the lines to the decay of specific excitonic complexes. A special aspect of the Coulomb interaction, the exchange interaction, gives rise to a fine structure in the initial and final states of an excitonic decay. This leads to a fine structure in the emission spectra that again is unique for every excitonic complex. The exchange interaction is discussed in great detail in this work.QDs of different sizes are investigated and the influence on the electronic properties is monitored. Additionally, the structure is modified ex situ by a thermal annealing process. The changes of the spectra under different annealing temperatures are traced. Finally, recombination dynamics of different excitonic complexes are examined by performing time-resolved cathodoluminescence spectroscopy. (orig.)

  2. 3 ns single-shot read-out in a quantum dot-based memory structure

    International Nuclear Information System (INIS)

    Nowozin, T.; Bimberg, D.; Beckel, A.; Lorke, A.; Geller, M.

    2014-01-01

    Fast read-out of two to six charges per dot from the ground and first excited state in a quantum dot (QD)-based memory is demonstrated using a two-dimensional electron gas. Single-shot measurements on modulation-doped field-effect transistor structures with embedded InAs/GaAs QDs show read-out times as short as 3 ns. At low temperature (T = 4.2 K) this read-out time is still limited by the parasitics of the setup and the device structure. Faster read-out times and a larger read-out signal are expected for an improved setup and device structure

  3. Electronic fine structure and recombination dynamics in single InAs quantum dots

    International Nuclear Information System (INIS)

    Seguin, R.

    2008-01-01

    In the work at hand single InAs/GaAs quantum dots (QDs) are examined via cathodoluminescence spectroscopy. A thorough analysis of the spectra leads to an unambiguous assignment of the lines to the decay of specific excitonic complexes. A special aspect of the Coulomb interaction, the exchange interaction, gives rise to a fine structure in the initial and final states of an excitonic decay. This leads to a fine structure in the emission spectra that again is unique for every excitonic complex. The exchange interaction is discussed in great detail in this work.QDs of different sizes are investigated and the influence on the electronic properties is monitored. Additionally, the structure is modified ex situ by a thermal annealing process. The changes of the spectra under different annealing temperatures are traced. Finally, recombination dynamics of different excitonic complexes are examined by performing time-resolved cathodoluminescence spectroscopy. (orig.)

  4. Nonlinear evolution of single spike structure and vortex in Richtmeyer-Meshkov instability

    International Nuclear Information System (INIS)

    Fukuda, Yuko O.; Nishihara, Katsunobu; Okamoto, Masayo; Nagatomo, Hideo; Matsuoka, Chihiro; Ishizaki, Ryuichi; Sakagami, Hitoshi

    1999-01-01

    Nonlinear evolution of single spike structure and vortex in the Richtmyer-Meshkov instability is investigated for two dimensional case, and axial symmetric and non axial symmetric cases with the use of a three-dimensional hydrodynamic code. It is shown that singularity appears in the vorticity left by transmitted and reflected shocks at a corrugated interface. This singularity results in opposite sign of vorticity along the interface that causes double spiral structure of the spike. Difference of nonlinear growth rate and double spiral structure among three cases is also discussed by visualization of simulation data. In a case that there is no slip-off of initial spike axis, vorticity ring is relatively stable, but phase rotation occurs. (author)

  5. Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape.

    Science.gov (United States)

    Ferreon, Allan Chris M; Moosa, Mahdi Muhammad; Gambin, Yann; Deniz, Ashok A

    2012-10-30

    Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson's disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 21 [urea][TMAO] ratio has a net neutral effect on the protein's dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments.

  6. Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape

    Science.gov (United States)

    Ferreon, Allan Chris M.; Moosa, Mahdi Muhammad; Deniz, Ashok A.

    2012-01-01

    Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson’s disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 2∶1 [urea]∶[TMAO] ratio has a net neutral effect on the protein’s dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments. PMID:22826265

  7. Structural, vibrational and thermal characterization of phase transformation in L-histidinium bromide monohydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Moura, G.M. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Universidade Federal do Sul e Sudeste do Pará, ICEN, Marabá, PA 68505-080 (Brazil); Carvalho, J.O. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Instituto Federal do Tocantins, Araguaína, TO, 77.826-170 (Brazil); Silva, M.C.D.; Façanha Filho, P.F. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Santos, A.O. dos, E-mail: adenilson1@gmail.com [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil)

    2015-09-01

    L-Histidinium bromide monohydrate (LHBr) single crystal is a nonlinear optical material. In this work the high temperature phase transformation and the thermal stability of single crystals of LHBr was investigated by X-ray diffraction, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry and Raman spectroscopy. The results showed the LHBr phase transformation of orthorhombic (P2{sub 1}2{sub 1}2{sub 1}) to monoclinic system (P 1 2 1) at 120 °C, with the lattice parameters a = 12.162(1) Å, b = 16.821(2) Å, c = 19.477(2) Å and β = 108.56(2)°. These techniques are complementary and confirm the structural phase transformation due to loss water of crystallization. - Highlights: • -histidinium bromide single crystal was grown by slow evaporation technique. • X-ray diffraction characterize the high-temperature phase transformation. • The structural phase transformation occur due to loss of water of crystallization. • The LHBr thermal expansion coefficients exhibit an anisotropic behavior.

  8. Communication: The electronic structure of matter probed with a single femtosecond hard x-ray pulse

    Directory of Open Access Journals (Sweden)

    J. Szlachetko

    2014-03-01

    Full Text Available Physical, biological, and chemical transformations are initiated by changes in the electronic configuration of the species involved. These electronic changes occur on the timescales of attoseconds (10−18 s to femtoseconds (10−15 s and drive all subsequent electronic reorganization as the system moves to a new equilibrium or quasi-equilibrium state. The ability to detect the dynamics of these electronic changes is crucial for understanding the potential energy surfaces upon which chemical and biological reactions take place. Here, we report on the determination of the electronic structure of matter using a single self-seeded femtosecond x-ray pulse from the Linac Coherent Light Source hard x-ray free electron laser. By measuring the high energy resolution off-resonant spectrum (HEROS, we were able to obtain information about the electronic density of states with a single femtosecond x-ray pulse. We show that the unoccupied electronic states of the scattering atom may be determined on a shot-to-shot basis and that the measured spectral shape is independent of the large intensity fluctuations of the incoming x-ray beam. Moreover, we demonstrate the chemical sensitivity and single-shot capability and limitations of HEROS, which enables the technique to track the electronic structural dynamics in matter on femtosecond time scales, making it an ideal probe technique for time-resolved X-ray experiments.

  9. Extracting 3D layout from a single image using global image structures.

    Science.gov (United States)

    Lou, Zhongyu; Gevers, Theo; Hu, Ninghang

    2015-10-01

    Extracting the pixel-level 3D layout from a single image is important for different applications, such as object localization, image, and video categorization. Traditionally, the 3D layout is derived by solving a pixel-level classification problem. However, the image-level 3D structure can be very beneficial for extracting pixel-level 3D layout since it implies the way how pixels in the image are organized. In this paper, we propose an approach that first predicts the global image structure, and then we use the global structure for fine-grained pixel-level 3D layout extraction. In particular, image features are extracted based on multiple layout templates. We then learn a discriminative model for classifying the global layout at the image-level. Using latent variables, we implicitly model the sublevel semantics of the image, which enrich the expressiveness of our model. After the image-level structure is obtained, it is used as the prior knowledge to infer pixel-wise 3D layout. Experiments show that the results of our model outperform the state-of-the-art methods by 11.7% for 3D structure classification. Moreover, we show that employing the 3D structure prior information yields accurate 3D scene layout segmentation.

  10. Development of NUPREP PC Version and Input Structures for NUCIRC Single Channel Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Churl; Jun, Ji Su; Park, Joo Hwan

    2007-12-15

    The input file for a steady-state thermal-hydraulic code NUCIRC consists of common channel input data and specific channel input data in a case of single channel analysis. Even when all the data is ready for the 380 channels' single channel analyses, it takes long time and requires enormous effort to compose an input file by hand-editing. The automatic pre-processor for this tedious job is a NUPREP code. In this study, a NUPREP PC version has been developed from the source list in the program manual of NUCIRC-MOD2.000 that is imported in a form of an execution file. In this procedure, some errors found in PC executions and lost statements are fixed accordingly. It is confirmed that the developed NUPREP code produces input file correctly for the CANDU-6 single channel analysis. Additionally, the NUCIRC input structure and data format are summarized for a single channel analysis and the input CARDs required for the creep information of aged channels are listed.

  11. Single molecule tools for enzymology, structural biology, systems biology and nanotechnology: an update

    Science.gov (United States)

    Widom, Julia R.; Dhakal, Soma; Heinicke, Laurie A.; Walter, Nils G.

    2015-01-01

    Toxicology is the highly interdisciplinary field studying the adverse effects of chemicals on living organisms. It requires sensitive tools to detect such effects. After their initial implementation during the 1990s, single-molecule fluorescence detection tools were quickly recognized for their potential to contribute greatly to many different areas of scientific inquiry. In the intervening time, technical advances in the field have generated ever-improving spatial and temporal resolution, and have enabled the application of single-molecule fluorescence to increasingly complex systems, such as live cells. In this review, we give an overview of the optical components necessary to implement the most common versions of single-molecule fluorescence detection. We then discuss current applications to enzymology and structural studies, systems biology, and nanotechnology, presenting the technical considerations that are unique to each area of study, along with noteworthy recent results. We also highlight future directions that have the potential to revolutionize these areas of study by further exploiting the capabilities of single-molecule fluorescence microscopy. PMID:25212907

  12. Shedding Light on Protein Folding, Structural and Functional Dynamics by Single Molecule Studies

    Directory of Open Access Journals (Sweden)

    Krutika Bavishi

    2014-11-01

    Full Text Available The advent of advanced single molecule measurements unveiled a great wealth of dynamic information revolutionizing our understanding of protein dynamics and behavior in ways unattainable by conventional bulk assays. Equipped with the ability to record distribution of behaviors rather than the mean property of a population, single molecule measurements offer observation and quantification of the abundance, lifetime and function of multiple protein states. They also permit the direct observation of the transient and rarely populated intermediates in the energy landscape that are typically averaged out in non-synchronized ensemble measurements. Single molecule studies have thus provided novel insights about how the dynamic sampling of the free energy landscape dictates all aspects of protein behavior; from its folding to function. Here we will survey some of the state of the art contributions in deciphering mechanisms that underlie protein folding, structural and functional dynamics by single molecule fluorescence microscopy techniques. We will discuss a few selected examples highlighting the power of the emerging techniques and finally discuss the future improvements and directions.

  13. Development of NUPREP PC Version and Input Structures for NUCIRC Single Channel Analyses

    International Nuclear Information System (INIS)

    Yoon, Churl; Jun, Ji Su; Park, Joo Hwan

    2007-12-01

    The input file for a steady-state thermal-hydraulic code NUCIRC consists of common channel input data and specific channel input data in a case of single channel analysis. Even when all the data is ready for the 380 channels' single channel analyses, it takes long time and requires enormous effort to compose an input file by hand-editing. The automatic pre-processor for this tedious job is a NUPREP code. In this study, a NUPREP PC version has been developed from the source list in the program manual of NUCIRC-MOD2.000 that is imported in a form of an execution file. In this procedure, some errors found in PC executions and lost statements are fixed accordingly. It is confirmed that the developed NUPREP code produces input file correctly for the CANDU-6 single channel analysis. Additionally, the NUCIRC input structure and data format are summarized for a single channel analysis and the input CARDs required for the creep information of aged channels are listed

  14. Comprehensive Wavelengths, Energy Levels, and Hyperfine Structure Parameters of Singly-Ionized Iron-Group Elements

    Science.gov (United States)

    Nave, Gillian

    We propose to measure wavelengths, energy levels, and hyperfine structure parameters of Ni II, Mn II, Sc II and other singly-ionized iron-group elements, covering the wavelength range 80 nm to 5500 nm. We shall use archival data from spectrometers at NIST and Kitt Peak National Observatory for spectra above 140 nm. Additional experimental observations will be taken if needed using Fourier transform spectrometers at NIST. Spectra will be taken using our normal incidence grating spectrograph to provide better sensitivity than the FT spectra and to extend the wavelength range down to 80 nm. We aim to produce a comprehensive description of the spectra of all singly-ionized iron- group elements. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. For most singly-ionized iron-group elements available laboratory data have uncertainties an order of magnitude larger than astronomical observations over wide spectra ranges. Some of these laboratory measurements date back to the 1960's. Since then, Fourier transform spectroscopy has made significant progress in improving the accuracy and quantity of data in the UV-vis-IR region, but high quality Fourier transform spectra are still needed for Mn II, Ni II and Sc II. Fourier transform spectroscopy has low sensitivity in the VUV region and is limited to wavelengths above 140 nm. Spectra measured with high-resolution grating spectrographs are needed in this region in order to obtain laboratory data of comparable quality to the STIS and COS spectrographs on the Hubble Space Telescope. Currently, such data exist only for Fe II and Cr II. Lines of Sc II, V II, and Mn II show hyperfine structure, but hyperfine structure parameters have been measured for relatively few lines of these elements. Significant errors can occur if hyperfine structure is neglected when abundances are determined from stellar spectra. Measurements of hyperfine structure parameters will be made using Fourier transform spectroscopy

  15. Finite Element Analysis of Doorframe Structure of Single Oblique Pole Type in Container Crane

    Science.gov (United States)

    Cheng, X. F.; Wu, F. Q.; Tang, G.; Hu, X.

    2017-07-01

    Compared with the composite type, the single oblique pole type has more advantages, such as simple structure, thrift steel and high safe overhead clearance. The finite element model of the single oblique pole type is established in nodes by ANSYS, and more details are considered when the model is simplified, such as the section of Girder and Boom, torque in Girder and Boom occurred by Machinery house and Trolley, density according to the way of simplification etc. The stress and deformation of ten observation points are compared and analyzed, when the trolley is in nine dangerous positions. Based on the result of analysis, six dangerous points are selected to provide reference for the detection and evaluation of container crane.

  16. Edge structures and properties of triangular antidots in single-layer MoS2

    KAUST Repository

    Gan, Li Yong; Cheng, Yingchun; Schwingenschlö gl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xixiang; Huang, Wei

    2016-01-01

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

  17. Edge structures and properties of triangular antidots in single-layer MoS2

    KAUST Repository

    Gan, Li Yong

    2016-08-30

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

  18. Surface structure modification of single crystal graphite after slow, highly charged ion irradiation

    Science.gov (United States)

    Alzaher, I.; Akcöltekin, S.; Ban-d'Etat, B.; Manil, B.; Dey, K. R.; Been, T.; Boduch, P.; Rothard, H.; Schleberger, M.; Lebius, H.

    2018-04-01

    Single crystal graphite was irradiated by slow, highly charged ions. The modification of the surface structure was studied by means of Low-Energy Electron Diffraction. The observed damage cross section increases with the potential energy, i.e. the charge state of the incident ion, at a constant kinetic energy. The potential energy is more efficient for the damage production than the kinetic energy by more than a factor of twenty. Comparison with earlier results hints to a strong link between early electron creation and later target atom rearrangement. With increasing ion fluence, the initially large-scale single crystal is first transformed into μ m-sized crystals, before complete amorphisation takes place.

  19. Effect of reactor neutron radiation and temperature on the structure of InP single crystals

    International Nuclear Information System (INIS)

    Bojko, V.M.; Kolin, N.G.; Merkurisov, D.I.; Bublik, V.T.; Voronova, M.I.; Shcherbachev, K.D.

    2006-01-01

    The structural characteristics of InP single crystals have been investigated depending on the radiation effects produced by fast and full spectrum neutrons and subsequent heat treatment. A lattice period in InP single crystals decreases under neutron irradiation. Fast neutrons make the main contribution into the change of the lattice period. Availability of the thermal neutrons initiates the formation of Sn atoms, but does not make a significant influence on the change of the lattice period. Heat treatment of the irradiated samples up to 600 deg C causes the annealing of radiation defects and recovery of the lattice period. With increasing neutron fluences a lattice period becomes even higher than before irradiation [ru

  20. Studies on the structural, optical and dielectric properties of samarium coordinated with salicylic acid single crystal

    Science.gov (United States)

    Singh, Harjinder; Slathia, Goldy; Gupta, Rashmi; Bamzai, K. K.

    2018-04-01

    Samarium coordinated with salicylic acid was successfully grown as a single crystal by low temperature solution technique using mixed solvent of methanol and water in equal ratio. Structural characterization was carried out by single crystal X-ray diffraction analysis and it crystallizes in centrosymmetric space group P121/c1. FTIR and UV-Vis-NIR spectroscopy confirmed the compound formation and help to determine the mode of binding of the ligand to the rare earth-metal ion. Dielectric constant and dielectric loss have been measured over the frequency range 100 Hz - 30MHz. The decrease in dielectric constant with increases in frequency is due to the transition from interfacial polarization to dipolar polarization. The small value of dielectric constant at higher frequency ensures that the crystal is good candidate for NLO devices. Dielectric loss represents the resistive nature of the material.

  1. Solid-melt interface structure and growth of Cu alloy single crystals

    International Nuclear Information System (INIS)

    Tomimitsu, Hiroshi; Kamada, Kohji.

    1983-01-01

    Crystal-melt interface behavior during the growth of Cu-base solid solutions by the Bridgman method is discussed on the basis of experimental evidence obtained by neutron diffraction topography. Advantages of neutron diffraction topography for the characterization of large single crystals, such as dealt with in this paper, are emphasized. Evidence was odserved of extremely regular crystal growth along directions, irrespective of the macroscopic growth direction. This contrasts with the previously believed (110) normal growth which is a conclusion of growth theory based on molecular kinetics at the solid-melt interface. In consequence, we believe that the kinetics at the interface is a minor factor in the meltgrowth of metal single crystals. Revised melt-growth theory should include both the growth and the formation of the regular structure as evidenced by neutron diffraction topography. (author)

  2. Edge structures and properties of triangular antidots in single-layer MoS2

    International Nuclear Information System (INIS)

    Gan, Li-Yong; Cheng, Yingchun; Huang, Wei; Schwingenschlögl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xi-xiang

    2016-01-01

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS 2 . The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS 2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS 2 devices.

  3. Edge structures and properties of triangular antidots in single-layer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gan, Li-Yong, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, Yingchun, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa; Huang, Wei [Key Laboratory of Flexible Electronics (KLOFE) and Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials - SICAM, Nanjing Tech University - NanjingTech, 30 South Puzhu Road, Nanjing 211816 (China); Schwingenschlögl, Udo, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Yao, Yingbang [Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); School of Materials and Energy, Guangdong University of Technology, Guangdong 510006 (China); Zhao, Yong [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031 Sichuan (China); Zhang, Xi-xiang [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia)

    2016-08-29

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS{sub 2}. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS{sub 2} samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS{sub 2} devices.

  4. Temperature Dependent Surface Structures and Electronic Properties of Organic-Inorganic Hybrid Perovskite Single Crystals

    Science.gov (United States)

    Jao, M.-H.; Teague, M. L.; Huang, J.-S.; Tseng, W.-S.; Yeh, N.-C.

    Organic-inorganic hybrid perovskites, arising from research of low-cost high performance photovoltaics, have become promising materials not only for solar cells but also for various optoelectronic and spintronic applications. An interesting aspect of the hybrid perovskites is that their material properties, such as the band gap, can be easily tuned by varying the composition, temperature, and the crystalline phases. Additionally, the surface structure is critically important for their optoelectronic applications. It is speculated that different crystalline facets could show different trap densities, thus resulting in microscopically inhomogeneous performance. Here we report direct studies of the surface structures and electronic properties of hybrid perovskite CH3NH3PbI3 single crystals by scanning tunneling microscopy and spectroscopy (STM/STS). We found long-range spatially homogeneous tunneling conductance spectra with a well-defined energy gap of (1.55 +/- 0.1) eV at 300 K in the tetragonal phase, suggesting high quality of the single crystals. The energy gap increased to (1.81 +/- 0.1) eV in the orthorhombic phase, below the tetragonal-to-orthorhombic phase transition temperature at 150 K. Detailed studies of the temperature evolution in the spatially resolved surface structures and local density of states will be discussed to elucidate how these properties may influence the optoelectronic performance of the hybrid perovskites. We thank the support from NTU in Taiwan and from NSF in the US.

  5. Relationships among the structural topology, bond strength, and mechanical properties of single-walled aluminosilicate nanotubes.

    Science.gov (United States)

    Liou, Kai-Hsin; Tsou, Nien-Ti; Kang, Dun-Yen

    2015-10-21

    Carbon nanotubes (CNTs) are regarded as small but strong due to their nanoscale microstructure and high mechanical strength (Young's modulus exceeds 1000 GPa). A longstanding question has been whether there exist other nanotube materials with mechanical properties as good as those of CNTs. In this study, we investigated the mechanical properties of single-walled aluminosilicate nanotubes (AlSiNTs) using a multiscale computational method and then conducted a comparison with single-walled carbon nanotubes (SWCNTs). By comparing the potential energy estimated from molecular and macroscopic material mechanics, we were able to model the chemical bonds as beam elements for the nanoscale continuum modeling. This method allowed for simulated mechanical tests (tensile, bending, and torsion) with minimum computational resources for deducing their Young's modulus and shear modulus. The proposed approach also enabled the creation of hypothetical nanotubes to elucidate the relative contributions of bond strength and nanotube structural topology to overall nanotube mechanical strength. Our results indicated that it is the structural topology rather than bond strength that dominates the mechanical properties of the nanotubes. Finally, we investigated the relationship between the structural topology and the mechanical properties by analyzing the von Mises stress distribution in the nanotubes. The proposed methodology proved effective in rationalizing differences in the mechanical properties of AlSiNTs and SWCNTs. Furthermore, this approach could be applied to the exploration of new high-strength nanotube materials.

  6. Sea Unsea - Lamella Flock

    DEFF Research Database (Denmark)

    Ramsgaard Thomsen, Mette; Tamke, Martin; Riiber, Jacob

    2010-01-01

    their impact on architecture and on other disciplines. The book includes a series of ambitious design projects to illustrate the potential of these processes for architecture. In so doing it seeks to provide a critical framework for an experimental movement in architectural design at a crucial moment in its...

  7. Single crystal growth, electronic structure and optical properties of Cs2HgBr4

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2015-10-01

    We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.

  8. Macronuclear genome structure of the ciliate Nyctotherus ovalis: Single-gene chromosomes and tiny introns

    Directory of Open Access Journals (Sweden)

    Landweber Laura F

    2008-12-01

    Full Text Available Abstract Background Nyctotherus ovalis is a single-celled eukaryote that has hydrogen-producing mitochondria and lives in the hindgut of cockroaches. Like all members of the ciliate taxon, it has two types of nuclei, a micronucleus and a macronucleus. N. ovalis generates its macronuclear chromosomes by forming polytene chromosomes that subsequently develop into macronuclear chromosomes by DNA elimination and rearrangement. Results We examined the structure of these gene-sized macronuclear chromosomes in N. ovalis. We determined the telomeres, subtelomeric regions, UTRs, coding regions and introns by sequencing a large set of macronuclear DNA sequences (4,242 and cDNAs (5,484 and comparing them with each other. The telomeres consist of repeats CCC(AAAACCCCn, similar to those in spirotrichous ciliates such as Euplotes, Sterkiella (Oxytricha and Stylonychia. Per sequenced chromosome we found evidence for either a single protein-coding gene, a single tRNA, or the complete ribosomal RNAs cluster. Hence the chromosomes appear to encode single transcripts. In the short subtelomeric regions we identified a few overrepresented motifs that could be involved in gene regulation, but there is no consensus polyadenylation site. The introns are short (21–29 nucleotides, and a significant fraction (1/3 of the tiny introns is conserved in the distantly related ciliate Paramecium tetraurelia. As has been observed in P. tetraurelia, the N. ovalis introns tend to contain in-frame stop codons or have a length that is not dividable by three. This pattern causes premature termination of mRNA translation in the event of intron retention, and potentially degradation of unspliced mRNAs by the nonsense-mediated mRNA decay pathway. Conclusion The combination of short leaders, tiny introns and single genes leads to very minimal macronuclear chromosomes. The smallest we identified contained only 150 nucleotides.

  9. Room temperature phosphorescence study on the structural flexibility of single tryptophan containing proteins

    Science.gov (United States)

    Kowalska-Baron, Agnieszka; Gałęcki, Krystian; Wysocki, Stanisław

    2015-01-01

    In this study, we have undertaken efforts to find correlation between phosphorescence lifetimes of single tryptophan containing proteins and some structural indicators of protein flexibility/rigidity, such as the degree of tryptophan burial or its exposure to solvent, protein secondary and tertiary structure of the region of localization of tryptophan as well as B factors for tryptophan residue and its immediate surroundings. Bearing in mind that, apart from effective local viscosity of the protein/solvent matrix, the other factor that concur in determining room temperature tryptophan phosphorescence (RTTP) lifetime in proteins is the extent of intramolecular quenching by His, Cys, Tyr and Trp side chains, the crystallographic structures derived from the Brookhaven Protein Data Bank were also analyzed concentrating on the presence of potentially quenching amino acid side chains in the close proximity of the indole chromophore. The obtained results indicated that, in most cases, the phosphorescence lifetimes of tryptophan containing proteins studied tend to correlate with the above mentioned structural indicators of protein rigidity/flexibility. This correlation is expected to provide guidelines for the future development of phosphorescence lifetime-based method for the prediction of structural flexibility of proteins, which is directly linked to their biological function.

  10. SAAS: Short Amino Acid Sequence - A Promising Protein Secondary Structure Prediction Method of Single Sequence

    Directory of Open Access Journals (Sweden)

    Zhou Yuan Wu

    2013-07-01

    Full Text Available In statistical methods of predicting protein secondary structure, many researchers focus on single amino acid frequencies in α-helices, β-sheets, and so on, or the impact near amino acids on an amino acid forming a secondary structure. But the paper considers a short sequence of amino acids (3, 4, 5 or 6 amino acids as integer, and statistics short sequence's probability forming secondary structure. Also, many researchers select low homologous sequences as statistical database. But this paper select whole PDB database. In this paper we propose a strategy to predict protein secondary structure using simple statistical method. Numerical computation shows that, short amino acids sequence as integer to statistics, which can easy see trend of short sequence forming secondary structure, and it will work well to select large statistical database (whole PDB database without considering homologous, and Q3 accuracy is ca. 74% using this paper proposed simple statistical method, but accuracy of others statistical methods is less than 70%.

  11. Structure around the island of inversion with single-neutron knockout reactions at GANIL

    CERN Document Server

    Fernández-Domínguez, B; Patterson, N; Thomas, J S; Orr, N; Chartier, M; Catford, W; Achouri, N L; Angélique, J-C; Ashwood, N I; Banu, A; Bastin,B; Brown, J; Borcea, R; Franchoo, S; Freer, M; Gaudefroy, L; Laurent, B; Labiche, M; Lemmon, R C; Negoita, F; Paschalis, S; Paul, E S; Petri, M; Roussel-Chomaz, P; Staniou, M; Taylor, M J; Trache, L

    2010-01-01

    The nuclear structure of the 31Mg nucleus has been studied with the singleneutron knockout reaction. We report on the preliminary results of an experiment performed with the EXOGAM array coupled, for the first time, to the SPEG spectrometer at GANIL.We present a provisional result for the inclusive single-neutron knockout cross section of σinc= 90(5) mb. Preliminary exclusive cross sections for the measured bound states, including the ground state, are also presented. Finally, preliminary longitudinal momentum distributions for the ground state and first excited state are also shown. These results are compared to Monte Carlo Shell-Model calculations in the sd-pf region.

  12. The Relation between Structure and Quantum Interference in Single Molecule Junctions

    DEFF Research Database (Denmark)

    Markussen, Troels; Stadler, Robert; Thygesen, Kristian Sommer

    2010-01-01

    Quantum interference (QI) of electron pathways has recently attracted increased interest as an enabling tool for single-molecule electronic devices. Although various molecular systems have been shown to exhibit QI effects and a number of methods have been proposed for its analysis, simple...... guidelines linking the molecular structure to QI effects in the phase-coherent transport regime have until now been lacking. In the present work we demonstrate that QI in aromatic molecules is intimately related to the topology of the molecule’s π system and establish a simple graphical scheme to predict...

  13. A facile approach towards synthesis, characterization, single crystal structure, and DFT study of 5-bromosalicylalcohol

    Energy Technology Data Exchange (ETDEWEB)

    Rastogi, Rupali, E-mail: rastogirupali@ymail.com [ITM University, Department of Chemistry (India); Tarannum, Nazia [Ch. Charan Singh University, Department of Chemistry (India); Butcher, R. J. [Howard University, Chemistry Department (United States)

    2016-03-15

    5-Bromosalicylalcohol was prepared by the interaction of NaBH{sub 4} and 5-bromosalicylaldehyde. The use of sodium borohydride makes the reaction easy, facile, economic and does not require any toxic catalyst. The compound is characterized by FTIR, {sup 1}H NMR, {sup 13}C NMR, TEM and ESI-mass spectra. Crystal structure is determined by single crystal X-ray analysis. Quantum mechanical calculations of geometries, energies and thermodynamic parameters are carried out using density functional theory (DFT/B3LYP) method with 6-311G(d,p) basis set. The optimized geometrical parameters obtained by B3LYP method show good agreement with experimental data.

  14. Single and Multipolarimetric P-Band SAR Tomography of Subsurface Ice Structure

    DEFF Research Database (Denmark)

    Banda, Francesco; Dall, Jørgen; Tebaldini, Stefano

    2016-01-01

    In this paper, first results concerning the characterization of the subsurface of ice sheets and glaciers through single and multipolarization synthetic aperture radar (SAR) tomography (TomoSAR) are illustrated. To this aim, the processing of data acquired in the framework of the European Space...... that scattering in the upper layers of glacial subsurface can be achieved up to an extent of about 20–60 m, conditional on the different types of glaciological zone observed. Moreover, clear morphological structures have been found beneath the ice surface at one of the investigated sites....

  15. Familiarity and recollection vs representational models of medial temporal lobe structures: A single-case study.

    Science.gov (United States)

    Lacot, Emilie; Vautier, Stéphane; Kőhler, Stefan; Pariente, Jérémie; Martin, Chris B; Puel, Michèle; Lotterie, Jean-Albert; Barbeau, Emmanuel J

    2017-09-01

    Although it is known that medial temporal lobe (MTL) structures support declarative memory, the fact these structures have different architectonics and circuitry suggests they may also play different functional roles. Selective lesions of MTL structures offer an opportunity to understand these roles. We report, in this study, on JMG, a patient who presents highly unusual lesions that completely affected all MTL structures except for the right hippocampus and parts of neighbouring medial parahippocampal cortex. We first demonstrate that JMG shows preserved recall for visual material on 5 experimental tasks. This finding suggests that his right hippocampus is functional, even though it appears largely disconnected from most of its MTL afferents. In contrast, JMG performed very poorly, as compared to control subjects, on 7 tasks of visual recognition memory for single items. Although he sometimes performed above chance, neither familiarity nor recollection appeared fully preserved. These results indicate that extrahippocampal structures, damaged bilaterally in JMG, perform critical operations for item recognition; and that the hippocampus cannot take over that role, including recollection, when these structures are largely damaged. Finally, in a set of 3 recognition memory tasks with scenes as stimuli, JMG performed at the level of control participants and obtained normal indices of familiarity and recollection. Overall, our findings suggest that the right hippocampus and remnants of parahippocampal cortex can support recognition memory for scenes in the absence of preserved item-recognition memory. The patterns of dissociations, which we report in the present study, provide support for a representational account of the functional organization of MTL structures. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Structure and scintillation properties of CsI(Tl) films on Si single crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Lina [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Liu, Shuang, E-mail: shuangliu@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Chen, Dejun; Zhang, Shangjian; Liu, Yong; Zhong, Zhiyong [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Falco, Charles M. [University of Arizona, College of Optical Sciences, AZ 85721 (United States)

    2016-10-30

    Highlights: • We obtained the desired micro-columnar structure of CsI(Tl) films on the orienting Si substrates. • We improved the micro-columnar structure of CsI(Tl) films under the relatively large deposition rate through using the substrate with a pre-deposited CsI nanolayer. • We modeled the interface structures between the CsI(Tl) films with (200) and (310) orientation and Si(111) substrates to explain the preferred orientation of film under the influence of the orienting substrate significantly. • We gained a new spectrum of the CsI(Tl) films peaked at 740 nm wavelength. - Abstract: CsI(Tl) scintillation films fabricated on glass substrates are widely applied for X-ray imaging because their ability to grow in micro-columnar structure and proper emission wavelength matching CCD cameras. But the coupling process between the CsI(Tl) films and Si-based photo detector would cause coupling loss. In this work, CsI(Tl) films were deposited on the orienting Si substrates and the Si substrates covered by the pre-deposited CsI nanolayers. Structure and scintillation properties of films were examined by using scanning electron microscopy, X-ray diffraction, photoluminescence and radioluminescent spectrum. The films deposited on the orienting Si substrates show the micro-columnar morphology with perfect single crystalline structure and the photoluminescence spectra with bimodal distribution. The performances of the films prepared on the pre-deposited CsI nanolayer, containing micro-columns structure and the light yield are improved.

  17. Structure and scintillation properties of CsI(Tl) films on Si single crystal substrates

    International Nuclear Information System (INIS)

    Guo, Lina; Liu, Shuang; Chen, Dejun; Zhang, Shangjian; Liu, Yong; Zhong, Zhiyong; Falco, Charles M.

    2016-01-01

    Highlights: • We obtained the desired micro-columnar structure of CsI(Tl) films on the orienting Si substrates. • We improved the micro-columnar structure of CsI(Tl) films under the relatively large deposition rate through using the substrate with a pre-deposited CsI nanolayer. • We modeled the interface structures between the CsI(Tl) films with (200) and (310) orientation and Si(111) substrates to explain the preferred orientation of film under the influence of the orienting substrate significantly. • We gained a new spectrum of the CsI(Tl) films peaked at 740 nm wavelength. - Abstract: CsI(Tl) scintillation films fabricated on glass substrates are widely applied for X-ray imaging because their ability to grow in micro-columnar structure and proper emission wavelength matching CCD cameras. But the coupling process between the CsI(Tl) films and Si-based photo detector would cause coupling loss. In this work, CsI(Tl) films were deposited on the orienting Si substrates and the Si substrates covered by the pre-deposited CsI nanolayers. Structure and scintillation properties of films were examined by using scanning electron microscopy, X-ray diffraction, photoluminescence and radioluminescent spectrum. The films deposited on the orienting Si substrates show the micro-columnar morphology with perfect single crystalline structure and the photoluminescence spectra with bimodal distribution. The performances of the films prepared on the pre-deposited CsI nanolayer, containing micro-columns structure and the light yield are improved.

  18. Growth mechanism and internal structure of vertically aligned single-walled carbon nanotubes.

    Science.gov (United States)

    Einarsson, Erik; Kadowaki, Masayuki; Ogura, Kazuaki; Okawa, Jun; Xiang, Rong; Zhang, Zhengyi; Yamamoto, Takahisa; Ikuhara, Yuichi; Maruyama, Shigeo

    2008-11-01

    An in situ optical absorbance technique was used to monitor the growth of vertically aligned single-walled carbon nanotubes (VA-SWNTs) at various temperatures and pressures. The effects of the growth temperature and ethanol pressure on the initial growth rate and catalyst lifetime were investigated. It was found that the ideal pressure for VA-SWNT synthesis changes with the growth temperature, shifting toward higher pressure as the growth temperature increases. It was also found that the growth reaction is first-order below this ideal pressure. Additionally, the internal structure of the VA-SWNT film was observed at different depths into the film by transmission electron microscopy. The absence of large bundles was confirmed, and little change in the structure was observed to a depth of approximately 1 microm.

  19. Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

    Science.gov (United States)

    Vitali, Lucia; Fabris, Stefano; Conte, Adriano Mosca; Brink, Susan; Ruben, Mario; Baroni, Stefano; Kern, Klaus

    2008-10-01

    The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure and the large spin magnetic moment of the metal center. The 4f electron states are not perturbed by the adsorption while a strong molecular/metal interaction can induce the suppression of the minor spin contribution delocalized over the molecular ligands. The calculations show that the inherent spin magnetic moment of the molecule is only weakly affected by the interaction with the surface and suggest that the SMM character might be preserved.

  20. Seasonal variations of radon concentrations in single-family houses with different sub-structures

    DEFF Research Database (Denmark)

    Majborn, B.

    1992-01-01

    Seasonal variations of indoor radon concentrations have been studied in 70 single-family houses selected according to the type of sub-structure and the type of soil underneath the house. Five categories of sub-structure were included - slab-on-grade, crawl space, basement, and combinations...... of basement with slab-on-grade or crawl space. Half of the houses are located on clayey till and the other half on glaciofluvial gravel. In each house radon was measured in a living room and a bedroom, in the basement if present, and in the crawl space if present and accessible. The measurements were made...... with track detectors on a quarterly basis throughout a year. For living rooms and bedrooms the seasonal variations range from being highly significant for the slab-on-grade houses to being insignificant for the crawl space houses. For basements and crawl spaces the geometric mean radon concentrations do...

  1. Enhanced magnetostriction derived from magnetic single domain structures in cluster-assembled SmCo films

    Science.gov (United States)

    Bai, Yulong; Yang, Bo; Guo, Fei; Lu, Qingshan; Zhao, Shifeng

    2017-11-01

    Cluster-assembled SmCo alloy films were prepared by low energy cluster beam deposition. The structure, magnetic domain, magnetization, and magnetostriction of the films were characterized. It is shown that the as-prepared films are assembled in compact and uniformly distributed spherical cluster nanoparticles, most of which, after vacuum in situ annealing at 700 K, aggregated to form cluster islands. These cluster islands result in transformations from superparamagnetic states to magnetic single domain (MSD) states in the films. Such MSD structures contribute to the enhanced magnetostrictive behaviors with a saturation magnetostrictive coefficient of 160 × 10-6 in comparison to 105 × 10-6 for the as-prepared films. This work demonstrates candidate materials that could be applied in nano-electro-mechanical systems, low power information storage, and weak magnetic detecting devices.

  2. Tight binding electronic band structure calculation of achiral boron nitride single wall nanotubes

    International Nuclear Information System (INIS)

    Saxena, Prapti; Sanyal, Sankar P

    2006-01-01

    In this paper we report the Tight-Binding method, for the electronic structure calculations of achiral single wall Boron Nitride nanotubes. We have used the contribution of π electron only to define the electronic band structure for the solid. The Zone-folding method is used for the Brillouin Zone definition. Calculation of tight binding model parameters is done by fitting them to available experimental results of two-dimensional hexagonal monolayers of Boron Nitride. It has been found that all the boron nitride nanotubes (both zigzag and armchair) are constant gap semiconductors with a band gap of 5.27eV. All zigzag BNNTs are found to be direct gap semiconductors while all armchair nanotubes are indirect gap semiconductors. (author)

  3. Effect of chain stiffness on the structure of single-chain polymer nanoparticles

    Science.gov (United States)

    Moreno, Angel J.; Bacova, Petra; Lo Verso, Federica; Arbe, Arantxa; Colmenero, Juan; Pomposo, José A.

    2018-01-01

    Polymeric single-chain nanoparticles (SCNPs) are soft nano-objects synthesized by purely intramolecular cross-linking of single polymer chains. By means of computer simulations, we investigate the conformational properties of SCNPs as a function of the bending stiffness of their linear polymer precursors. We investigate a broad range of characteristic ratios from the fully flexible case to those typical of bulky synthetic polymers. Increasing stiffness hinders bonding of groups separated by short contour distances and increases looping over longer distances, leading to more compact nanoparticles with a structure of highly interconnected loops. This feature is reflected in a crossover in the scaling behaviour of several structural observables. The scaling exponents change from those characteristic for Gaussian chains or rings in θ-solvents in the fully flexible limit, to values resembling fractal or ‘crumpled’ globular behaviour for very stiff SCNPs. We characterize domains in the SCNPs. These are weakly deformable regions that can be seen as disordered analogues of domains in disordered proteins. Increasing stiffness leads to bigger and less deformable domains. Surprisingly, the scaling behaviour of the domains is in all cases similar to that of Gaussian chains or rings, irrespective of the stiffness and degree of cross-linking. It is the spatial arrangement of the domains which determines the global structure of the SCNP (sparse Gaussian-like object or crumpled globule). Since intramolecular stiffness can be varied through the specific chemistry of the precursor or by introducing bulky side groups in its backbone, our results propose a new strategy to tune the global structure of SCNPs.

  4. Quasi-Static Single-Component Hybrid Simulation of a Composite Structure with Multi-Axis Control

    DEFF Research Database (Denmark)

    Høgh, J.; Waldbjørn, J.; Wittrup-Schmidt, J.

    2015-01-01

    This paper presents a quasi-static hybrid simulation performed on a single component structure. Hybrid simulation is a substructural technique, where a structure is divided into two sections: a numerical section of the main structure and a physical experiment of the remainder. In previous cases...

  5. Effect of interlayer on structure and performance of anode-supported SOFC single cells

    International Nuclear Information System (INIS)

    Eom, Tae Wook; Yang, Hae Kwang; Kim, Kyung Hwan; Yoon, Hyon Hee; Kim, Jong Sung; Park, Sang Joon

    2008-01-01

    To lower the operating temperatures in solid oxide fuel cell (SOFC) operations, anode-supported SOFC single cells with a single dip-coated interlayer were fabricated and the effect of the interlayer on the electrolyte structure and the electrical performance was investigated. For the preparation of SOFC single cells, yttria-stabilized zirconia (YSZ) electrolyte, NiO-YSZ anode, and 50% YSZ-50% strontium-doped lanthanum manganite (LSM) cathode were used. In order to characterize the cells, scanning electron microscopy (SEM) and atomic force microscopy (AFM) were utilized and the gas (air) permeability measurements were conducted for gas tightness estimation. When the interlayer was inserted onto NiO-YSZ anode, the surface roughness of anode was diminished by about 40% and dense crack-free electrolytes were obtained. The electrical performance was enhanced remarkably and the maximum power density was 0.57 W/cm 2 at 800 deg. C and 0.44 W/cm 2 at 700 deg. C. On the other hand, the effect of interlayer on the gas tightness was negligible. The characterization study revealed that the enhancement in the electrical performance was mainly attributed to the increase of ion transmission area of anode/electrolyte interface and the increase of ionic conductivity of dense crack-free electrolyte layer

  6. Growth, structural and magnetic characterization of Al-substituted barium hexaferrite single crystals

    International Nuclear Information System (INIS)

    Vinnik, D.A.; Zherebtsov, D.A.; Mashkovtseva, L.S.; Nemrava, S.; Bischoff, M.; Perov, N.S.; Semisalova, A.S.; Krivtsov, I.V.; Isaenko, L.I.; Mikhailov, G.G.; Niewa, R.

    2014-01-01

    Highlights: • Growth of large Al-substituted crystals BaFe 12−x Al x O 19. • Al-content controllable by flux composition. • Crystallographic site preference of Al unraveled. • Magnetic characterization depending on Al-content. - Abstract: Large single crystals of aluminum-substituted M-type barium hexaferrite BaFe 12−x Al x O 19 were obtained from carbonate flux. The Al content in the crystals can be controlled via the Al content of the flux up to x = 1.1 according to single crystal X-ray structure refinements. Al shows a distinct preference to substitute Fe on crystallographic sites with high coordination numbers by oxygen atoms, whereas no significant amounts of Al can be found on a tetrahedrally coordinated site. An increasing amount of the aluminum dopant results in a monotonous reduction of the Curie temperature from 440 to 415 °C and the saturation magnetization at room temperature from 68 to 57 emu/g for single crystal and from 61 to 53 emu/g for powder samples

  7. Single side damage simulations and detection in beam-like structures

    International Nuclear Information System (INIS)

    Zhou, Yun-Lai; Perera, R; Wahab, M Abdel; Maia, N; Sampaio, R; Figueiredo, E

    2015-01-01

    Beam-like structures are the most common components in real engineering, while single side damage is often encountered. In this study, a numerical analysis of single side damage in a free-free beam is analysed with three different finite element models; namely solid, shell and beam models for demonstrating their performance in simulating real structures. Similar to experiment, damage is introduced into one side of the beam, and natural frequencies are extracted from the simulations and compared with experimental and analytical results. Mode shapes are also analysed with modal assurance criterion. The results from simulations reveal a good performance of the three models in extracting natural frequencies, and solid model performs better than shell while shell model performs better than beam model under intact state. For damaged states, the natural frequencies captured from solid model show more sensitivity to damage severity than shell model and shell model performs similar to the beam model in distinguishing damage. The main contribution of this paper is to perform a comparison between three finite element models and experimental data as well as analytical solutions. The finite element results show a relatively well performance. (paper)

  8. Retrieving 4-dimensional atmospheric boundary layer structure from surface observations and profiles over a single station

    Energy Technology Data Exchange (ETDEWEB)

    Pu, Zhaoxia [Univ. of Utah, Salt Lake City, UT (United States)

    2015-10-06

    Most routine measurements from climate study facilities, such as the Department of Energy’s ARM SGP site, come from individual sites over a long period of time. While single-station data are very useful for many studies, it is challenging to obtain 3-dimensional spatial structures of atmospheric boundary layers that include prominent signatures of deep convection from these data. The principal objective of this project is to create realistic estimates of high-resolution (~ 1km × 1km horizontal grids) atmospheric boundary layer structure and the characteristics of precipitating convection. These characteristics include updraft and downdraft cumulus mass fluxes and cold pool properties over a region the size of a GCM grid column from analyses that assimilate surface mesonet observations of wind, temperature, and water vapor mixing ratio and available profiling data from single or multiple surface stations. The ultimate goal of the project is to enhance our understanding of the properties of mesoscale convective systems and also to improve their representation in analysis and numerical simulations. During the proposed period (09/15/2011–09/14/2014) and the no-cost extension period (09/15/2014–09/14/2015), significant accomplishments have been achieved relating to the stated goals. Efforts have been extended to various research and applications. Results have been published in professional journals and presented in related science team meetings and conferences. These are summarized in the report.

  9. Methodology for the structural design of single spoke accelerating cavities at Fermilab

    International Nuclear Information System (INIS)

    Passarelli, Donato; Merio, Margherita; Ristori, Leonardo

    2016-01-01

    Fermilab is planning to upgrade its accelerator complex to deliver a more powerful and intense proton-beam for neutrino experiments. In the framework of the so-called Proton Improvement Plan-II (PIP-II), we are designing and developing a cryomodule containing superconducting accelerating cavities, the Single Spoke Resonators of type 1 (SSR1). In this paper, we present the sequence of analysis and calculations performed for the structural de- sign of these cavities, using the rules of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). The lack of an accepted procedure for addressing the design, fabrication, and inspection of such unique pressure vessels makes the task demanding and challenging every time. Several factors such as exotic materials, unqualified brazing procedures, limited nondestructive examination, and the general R&D nature of these early generations of cavity design, conspire to make it impractical to obtain full compliance with all ASME BPVC requirements. However, the presented approach allowed us to validate the design of these new generation of single spoke cavities with values of maximum allowable working pressure that exceed the safety requirements. This set of rules could be used as a starting point for the structural design and development of similar objects.

  10. Single crystal X-ray structure of the artists' pigment zinc yellow

    Science.gov (United States)

    Simonsen, Kim Pilkjær; Christiansen, Marie Bitsch; Vinum, Morten Gotthold; Sanyova, Jana; Bendix, Jesper

    2017-08-01

    The artists' pigment zinc yellow is in general described as a complex potassium zinc chromate with the empirical formula 4ZnCrO4·K2O·3H2O. Even though the pigment has been in use since the second half of the 19th century also in large-scale industrial applications, the exact structure had hitherto been unknown. In this work, zinc yellow was synthesised by precipitation from an aqueous solution of zinc nitrate and potassium chromate under both neutral and basic conditions, and the products were compared with the pigment used in industrial paints. Analyses by Raman microscopy (MRS), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and powder X-ray diffraction (PXRD), showed that the synthesised products and the industrial pigment were identical. Single-crystal X-ray crystallography determined the structure of zinc yellow as KZn2(CrO4)2(H2O)(OH) or as KZn2(CrO4)2(H3O2) emphasizing the μ-H3O2- moiety. Notably, the zinc yellow is isostructural to the recently structurally characterized cadmium analog and both belong to the natrochalcite structure type.

  11. Structural Studies of Silver Nanoparticles Obtained Through Single-Step Green Synthesis

    Science.gov (United States)

    Prasad Peddi, Siva; Abdallah Sadeh, Bilal

    2015-10-01

    Green synthesis of silver Nanoparticles (AGNP's) has been the most prominent among the metallic nanoparticles for research for over a decade and half now due to both the simplicity of preparation and the applicability of biological species with extensive applications in medicine and biotechnology to reduce and trap the particles. The current article uses Eclipta Prostrata leaf extract as the biological species to cap the AGNP's through a single step process. The characterization data obtained was used for the analysis of the sample structure. The article emphasizes the disquisition of their shape and size of the lattice parameters and proposes a general scheme and a mathematical model for the analysis of their dependence. The data of the synthesized AGNP's has been used to advantage through the introduction of a structural shape factor for the crystalline nanoparticles. The properties of the structure of the AGNP's proposed and evaluated through a theoretical model was undeviating with the experimental consequences. This modus operandi gives scope for the structural studies of ultrafine particles prepared using biological methods.

  12. Gas-phase structure and fragmentation pathways of singly protonated peptides with N-terminal arginine.

    Science.gov (United States)

    Bythell, Benjamin J; Csonka, István P; Suhai, Sándor; Barofsky, Douglas F; Paizs, Béla

    2010-11-25

    The gas-phase structures and fragmentation pathways of the singly protonated peptide arginylglycylaspartic acid (RGD) are investigated by means of collision-induced-dissociation (CID) and detailed molecular mechanics and density functional theory (DFT) calculations. It is demonstrated that despite the ionizing proton being strongly sequestered at the guanidine group, protonated RGD can easily be fragmented on charge directed fragmentation pathways. This is due to facile mobilization of the C-terminal or aspartic acid COOH protons thereby generating salt-bridge (SB) stabilized structures. These SB intermediates can directly fragment to generate b(2) ions or facilely rearrange to form anhydrides from which both b(2) and b(2)+H(2)O fragments can be formed. The salt-bridge stabilized and anhydride transition structures (TSs) necessary to form b(2) and b(2)+H(2)O are much lower in energy than their traditional charge solvated counterparts. These mechanisms provide compelling evidence of the role of SB and anhydride structures in protonated peptide fragmentation which complements and supports our recent findings for tryptic systems (Bythell, B. J.; Suhai, S.; Somogyi, A.; Paizs, B. J. Am. Chem. Soc. 2009, 131, 14057-14065.). In addition to these findings we also report on the mechanisms for the formation of the b(1) ion, neutral loss (H(2)O, NH(3), guanidine) fragment ions, and the d(3) ion.

  13. Elastic properties of nano structured AZrO3 (A=Ba, Sr) single perovskites

    International Nuclear Information System (INIS)

    Pazhani, R.; Thomas, J.K.; Moses Ezhil Raj, A.; Solomon, S.; Bena Jothy, V.; Mathai, K.C.

    2011-01-01

    Nanocrystals of barium zirconate and strontium zirconate AZrO 3 (A=Ba and Sr) were synthesized by a unique self-sustained single-step combustion of an aqueous solution, containing Ba, Sr and Zr ions by using citric acid as complexing agent and liquor ammonia as fuel, thus giving rise to phase pure AZrO 3 nanopowder. In this process, a single phase pure nanopowder of AZrO 3 has been obtained without the need of calcination steps. The formation and stability of the compound was confirmed through the tolerance factor on the basis of the ionic radii of all the atoms of the compound. Phase-purity of the as-prepared powders was examined using X-ray diffraction. As-prepared powder was single phase, crystalline, and composed of uniform particles with sizes 20-30 nm. The crystal structure of AZrO 3 are respective cubic (Pm3-bar m, a=4.1839A) and orthorhombic (Pnma, a=5.7937A, b=8.17648A and c=5.7694A). Annealed samples of SrZrO 3 has improved crystal structure with a=5.764A, b=8.2292A and c=5.7989A, comparable to the standards. Microstrain acting on all the planes of the material is positive which indicates presence of tensile stress on the material. The calculated compressive stress on the surface of' the nanopowder is of the order 0.213 GPa to -0.274 GPa for BaZrO 3 and 4.443 GPa to -0.220 GPa for SrZrO 3 along various planes of the particles. (author)

  14. Structural peculiarities and point defects of bulk-ZnO single crystals

    International Nuclear Information System (INIS)

    Kaurova, I.A.; Kuz’micheva, G.M.; Rybakov, V.B.; Cousson, A.; Gayvoronsky, V.Ya.

    2014-01-01

    Highlights: • ZnO single crystals of different color were grown by the hydrothermal method. • Point defects in ZnO have been firstly investigated by neutron diffraction. • Presence of additional reflections caused by kinetic growth effects was revealed. • The relationship between the color and zinc and oxygen vacancies was found. • Photoinduced variation of transmittance versus the CW laser intensity was analyzed. - Abstract: ZnO single crystals are related to promising direct wide band gap semiconductor materials belonging to the A II B VI type of compounds with wurtzite structure. “Unintentional” n-type conductivity in ZnO may be caused by zinc and oxygen vacancies, and interstitial zinc atoms. To date, the comprehensive structural investigation and analysis of point defects in ZnO is absent in literature. Green, light green and almost colorless ZnO single crystals grown by the hydrothermal method in concentrated alkali solutions 4M(KOH) + 1M(LiOH) + 0.1M(NH 4 OH) on monohedral seeds [0 0 0 1] at crystallization temperatures in the range of 330–350 °C and pressures in the range of 30–50 MPa have been firstly investigated by neutron diffraction. It was revealed the presence of additional reflections (∼12–∼16%) for all the crystals caused by kinetic growth effects that give grounds to assign them to the space group P3 rather than to P6 3 mc. Analysis of the refined compositions together with the color of ZnO crystals does not rule out the relationship between the color and vacancies in the zinc and oxygen positions whose concentration decreases with the discoloration of the samples. The analysis of the photoinduced variation of the total and on-axis transmittance versus the CW laser intensity showed that the colored samples have profound deep defects related to oxygen vacancies

  15. Single Molecular Level Probing of Structure and Dynamics of Papain Under Denaturation.

    Science.gov (United States)

    Sengupta, Bhaswati; Chaudhury, Apala; Das, Nilimesh; Sen, Pratik

    2017-01-01

    Papain is a cysteine protease enzyme present in papaya and known to help in digesting peptide. Thus the structure and function of the active site of papain is of interest. The objective of present study is to unveil the overall structural transformation and the local structural change around the active site of papain as a function of chemical denaturant. Papain has been tagged at Cys-25 with a thiol specific fluorescence probe N-(7- dimethylamino-4-methylcoumarin-3-yl) iodoacetamide (DACIA). Guanidine hydrochloride (GnHCl) has been used as the chemical denaturant. Steady state, time-resolved, and single molecular level fluorescence techniques was applied to map the change in the local environment. It is found that papain undergoes a two-step denaturation in the presence of GnHCl. Fluorescence correlation spectroscopic (FCS) data indicate that the size (hydrodynamic diameter) of native papain is ~36.8 Å, which steadily increases to ~53 Å in the presence of 6M GnHCl. FCS study also reveals that the conformational fluctuation time of papain is 6.3 µs in its native state, which decreased to 2.7 µs in the presence of 0.75 M GnHCl. Upon further increase in GnHCl concentration the conformational fluctuation time increase monotonically till 6 M GnHCl, where the time constant is measured as 14 µs. On the other hand, the measurement of ellipticity, hence the helical structure, by circular dichroism spectroscopy is found to be incapable to capture such structural transformation. It is concluded that in the presence of small amount of GnHCl the active site of papain takes up a more compact structure (although the overall size increases) than in the native state, which has been designated as the intermediate state. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  16. Structure of the cell wall of mango after application of ionizing radiation

    International Nuclear Information System (INIS)

    Silva, Josenilda M.; Villar, Heldio P.; Pimentel, Rejane M.M.

    2012-01-01

    Cells of the mesocarp of mango cultivar Tommy Atkins were analyzed by Transmission Electron Microscope—TEM to evaluate the effects of doses of 0.5 and 1.0 kGy applied immediately after the fruit and after storage for twenty days at a temperature of 12 °C followed by 5 days of simulated marketing at a temperature of 21 °C. No alteration was found in the structure of the cell wall, middle lamella, and plasma membrane of fruits when analyzed immediately after application of doses. The mesocarp cell structure of the cell wall, middle lamella, and the plasma membrane did however undergo changes after storage. Fruits that received a dose of 0.5 kGy displayed slight changes in cell wall structure and slight disintegration of the middle lamella. Fruits that received a dose of 1.0 kGy displayed more severe changes in the structure of the cell wall, greater middle lamella degradation, and displacement of the plasma membrane. - Highlights: ► Mesocarp cells were analyzed by Transmission Electron Microscope—TEM. ► No change in cell wall structure, middle lamella and plasma membrane was found in fruits immediately after irradiation. ► Changes in cell wall structure, middle lamella and plasma membrane happened after storage. ► Fruits subjected to 0.5 kGy showed smaller cell wall change.

  17. Chemical vapor deposition growth of single-walled carbon nanotubes with controlled structures for nanodevice applications.

    Science.gov (United States)

    Chen, Yabin; Zhang, Jin

    2014-08-19

    Single-walled carbon nanotubes (SWNTs), a promising substitute to engineer prospective nanoelectronics, have attracted much attention because of their superb structures and physical properties. The unique properties of SWNTs rely sensitively on their specific chiral structures, including the diameters, chiral angles, and handedness. Furthermore, high-performance and integrated circuits essentially require SWNT samples with well-aligned arrays, of single conductive type and of pure chirality. Although much effort has been devoted to chemical vapor deposition (CVD) growth of SWNTs, their structure control, growth mechanism, and structural characterizations are still the primary obstacles for the fabrication and application of SWNT-based nanodevices. In this Account, we focus on our established CVD growth methodology to fulfill the requirements of nanodevice applications. A rational strategy was successfully exploited to construct complex architectures, selectively enrich semiconducting (s) or metallic (m) SWNTs, and control chirality. First, well-aligned and highly dense SWNT arrays are beneficial for nanodevice integration. For the directed growth mode, anisotropic interactions between the SWNTs and the crystallographic structure of substrate are crucial for their growth orientation. Just as crystals possess various symmetries, SWNTs with controlled geometries have the corresponding turning angles. Their complex architectures come from the synergetic effect of lattice and gas flow directed modes. Especially, the aligned orientations of SWNTs on graphite are chirality-selective, and their chiral angles, handedness, and (n,m) index have been conveniently and accurately determined. Second, UV irradiation and sodium dodecyl sulfate (SDS) washing-off methods have been explored to selectively remove m-SWNTs, leaving only s-SWNT arrays on the surface. Moreover, the UV-assisted technique takes the advantages of low cost and high efficiency and it directly produces a high

  18. Free-standing nanomechanical and nanophotonic structures in single-crystal diamond

    Science.gov (United States)

    Burek, Michael John

    Realizing complex three-dimensional structures in a range of material systems is critical to a variety of emerging nanotechnologies. This is particularly true of nanomechanical and nanophotonic systems, both relying on free-standing small-scale components. In the case of nanomechanics, necessary mechanical degrees of freedom require physically isolated structures, such as suspended beams, cantilevers, and membranes. For nanophotonics, elements like waveguides and photonic crystal cavities rely on light confinement provided by total internal reflection or distributed Bragg reflection, both of which require refractive index contrast between the device and surrounding medium (often air). Such suspended nanostructures are typically fabricated in a heterolayer structure, comprising of device (top) and sacrificial (middle) layers supported by a substrate (bottom), using standard surface nanomachining techniques. A selective, isotropic etch is then used to remove the sacrificial layer, resulting in free-standing devices. While high-quality, crystalline, thin film heterolayer structures are readily available for silicon (as silicon-on-insulator (SOI)) or III-V semiconductors (i.e. GaAs/AlGaAs), there remains an extensive list of materials with attractive electro-optic, piezoelectric, quantum optical, and other properties for which high quality single-crystal thin film heterolayer structures are not available. These include complex metal oxides like lithium niobate (LiNbO3), silicon-based compounds such as silicon carbide (SiC), III-V nitrides including gallium nitride (GaN), and inert single-crystals such as diamond. Diamond is especially attractive for a variety of nanoscale technologies due to its exceptional physical and chemical properties, including high mechanical hardness, stiffness, and thermal conductivity. Optically, it is transparent over a wide wavelength range (from 220 nm to the far infrared), has a high refractive index (n ~ 2.4), and is host to a vast

  19. Templated Synthesis of Single-Walled Carbon Nanotubes with Specific Structure.

    Science.gov (United States)

    Yang, Feng; Wang, Xiao; Li, Meihui; Liu, Xiyan; Zhao, Xiulan; Zhang, Daqi; Zhang, Yan; Yang, Juan; Li, Yan

    2016-04-19

    Single-walled carbon nanotubes (SWNTs) have shown great potential in various applications attributed to their unique structure-dependent properties. Therefore, the controlled preparation of chemically and structurally pristine SWNTs is a crucial issue for their advanced applications (e.g., nanoelectronics) and has been a great challenge for two decades. Epitaxial growth from well-defined seeds has been shown to be a promising strategy to control the structure of SWNTs. Segments of carbon nanotubes, including short pipes from cutting of preformed nanotubes and caps from opening of fullerenes or cyclodehydrogenation of polycyclic hydrocarbon precursors, have been used as the seeds to grow SWNTs. Single-chirality SWNTs were obtained with both presorted chirality-pure SWNT segments and end caps obtained from polycyclic hydrocarbon molecules with designed structure. The main challenges of nanocarbon-segment-seeded processes are the stability of the seeds, yield, and efficiency. Catalyst-mediated SWNT growth is believed to be more efficient. The composition and morphology of the catalyst nanoparticles have been widely reported to affect the chirality distribution of SWNTs. However, chirality-specific SWNT growth is hard to achieve by alternating catalysts. The specificity of enzyme-catalyzed reactions brings us an awareness of the essentiality of a unique catalyst structure for the chirality-selective growth of SWNTs. Only catalysts with the desired atomic arrangements in their crystal planes can act as structural templates for chirality-specific growth of SWNTs. We have developed a new family of catalysts, tungsten-based intermetallic compounds, which have high melting points and very special crystal structures, to facilitate the growth of SWNTs with designed chirality. By the use of W6Co7 catalysts, (12,6) SWNTs were directly grown with purity higher than 92%. Both high-resolution transmission electron microscopy measurements and density functional theory simulations

  20. Evaluation of the Electronic Structure of Single-Molecule Junctions Based on Current-Voltage and Thermopower Measurements: Application to C60 Single-Molecule Junction.

    Science.gov (United States)

    Komoto, Yuki; Isshiki, Yuji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

    2017-02-16

    The electronic structure of molecular junctions has a significant impact on their transport properties. Despite the decisive role of the electronic structure, a complete characterization of the electronic structure remains a challenge. This is because there is no straightforward way of measuring electron spectroscopy for an individual molecule trapped in a nanoscale gap between two metal electrodes. Herein, a comprehensive approach to obtain a detailed description of the electronic structure in single-molecule junctions based on the analysis of current-voltage (I-V) and thermoelectric characteristics is described. It is shown that the electronic structure of the prototypical C 60 single-molecule junction can be resolved by analyzing complementary results of the I-V and thermoelectric measurement. This combined approach confirmed that the C 60 single-molecule junction was highly conductive with molecular electronic conductances of 0.033 and 0.003 G 0 and a molecular Seebeck coefficient of -12 μV K -1 . In addition, we revealed that charge transport was mediated by a LUMO whose energy level was located 0.5≈0.6 eV above the Fermi level of the Au electrode. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Surface structure of ultrathin metal films deposited on copper single crystals

    International Nuclear Information System (INIS)

    Butterfield, M.T.

    2000-04-01

    Ultrathin films of Cobalt, Iron and Manganese have been thermally evaporated onto an fcc Copper (111) single crystal substrate and investigated using a variety of surface structural techniques. The small lattice mismatch between these metals and the Cu (111) substrate make them an ideal candidate for the study of the phenomena of pseudomorphic film growth. This is important for the understanding of the close relationship between film structure and magnetic properties. Growing films with the structure of their substrate rather than their bulk phase may provide an opportunity to grow materials with novel physical and magnetic properties, and hence new technological applications. Both Cobalt and Iron have been found to initially maintain a registry with the fcc Cu (111) surface in a manner consistent with pseudomorphic growth. This growth is complicated by island rather than layer by layer growth in the initials stages of the film. In both cases a change in the structure of the film seems to occur at a point where the coalescence of islands in the film may be expected to occur. When the film does change structure they do not form a perfect overlayer with the structure of their bulk counterpart. The films do contain a number of features representative of the bulk phase but also contain considerable disorder and possibly remnants of fcc (111) structure. The order present in these films can be greatly improved by annealing. Manganese appears to grow with an fcc Mn (111) lattice spacing and there is no sign of a change in structure in films of up to 4.61 ML thick. The gradual deposition and annealing of a film to 300 deg. C, with a total deposition time the same as that for a 1 ML thick film, causes a surface reconstruction to occur that is apparent in a R30 deg. (√3 x √3) LEED pattern. This is attributed to the formation of a surface alloy, which is also supported by the local expansion of the Cu lattice in the (111) direction. (author)

  2. Research Update: Structural and transport properties of (Ca,La)FeAs{sub 2} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Caglieris, F.; Pallecchi, I.; Lamura, G.; Putti, M. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Sala, A. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Fujioka, M. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Hokkaido University, Sapporo, Hokkaido 001-0020 (Japan); Hummel, F.; Johrendt, D. [Ludwig-Maximilians-Universität München, Department Chemie, Butenandtstr. 5-13, 81377 München (Germany); Takano, Y. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Ishida, S.; Iyo, A.; Eisaki, H. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Ogino, H.; Yakita, H. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Shimoyama, J. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara 252-5258 (Japan)

    2016-02-01

    Structural and transport properties in the normal and superconducting states are investigated in a Ca{sub 0.8}La{sub 0.2}FeAs{sub 2} single crystal with T{sub c} = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J{sub c} for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J{sub c}(B = 0) ∼ 10{sup 5} A/cm{sup 2}. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.

  3. Structure and composition of single Pt–Ru electrocatalyst nanoparticles supported on multiwall carbon nanotubes

    International Nuclear Information System (INIS)

    Paraguay-Delgado, Francisco; Malac, Marek; Alonso-Nuñez, Gabriel

    2014-01-01

    Individual Pt-Ru nanoparticles (NPs) supported on multiwall carbon nanotubes (MWCNTs) synthesized by microemulsion method were characterized by nano beam diffraction (NBD) and high resolution imaging in transmission electron microscopy (TEM). Comparing the TEM images and NBD to simulations provided insight into particle composition, structure and morphology in three dimensions. In particular, the NBD allowed us to detect various components of the individual NPs that would be difficult to observe otherwise. We find that the NPs contain four different components: Pt–RuO 2 , Pt–Ru, RuO 2 and metallic Pt. Often an individual NP is composed of more than one component. The most frequently encountered external morphology is close to a spherical shape and ∼3.7 nm in diameter. The collective properties of NPs’ assemblies were studied by thermogravimetry, differential thermal analysis and x-ray diffraction. The results allowed us to gain some insight into the relation of the NPs’ structure and composition with their catalytic performance, and revealed the presence of components not detectable by bulk methods. The electrocatalytic properties were evaluated by CO stripping, methanol oxidation and oxygen reduction. Bulk characterization methods miss many properties and structures present in the sample due to low volume fraction and due to overlap of reflections. Single NPs should be analyzed to obtain reliable indication of sample composition. (paper)

  4. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  5. Structural and magnetic properties of Tb implanted ZnO single crystals

    International Nuclear Information System (INIS)

    Zhou Shengqiang; Potzger, K.; Muecklich, A.; Eichhorn, F.; Helm, M.; Skorupa, W.; Fassbender, J.

    2008-01-01

    ZnO single crystals have been implanted with Tb ions. For an atomic concentration of 1.5%, annealing at 823 K leads to an increase of the saturation magnetization per implanted Tb ion up to 1.8 μ B at room temperature. Structural investigations revealed no secondary phase formation, but the out-diffusion of Tb. No significant evidence is found for Tb substituting Zn sites either in the as-implanted or annealed samples. However, indications for the existence of a small amount of Tb nanoclusters however have been found using magnetization versus temperature measurements. The ferromagnetic properties disappear completely upon annealing at 1023 K. This behavior is related to the formation of oxide complexes or nanoparticles

  6. Proton resonance elastic scattering of $^{30}$Mg for single particle structure of $^{31}$Mg

    CERN Multimedia

    The single particle structure of $^{31}$Mg, which is located in the so-called “island of inversion”, will be studied through measuring Isobaric Analog Resonances (IARs) of bound states of $^{31}$Mg. They are located in the high excitation energy of $^{31}$Al. We are going to determine the spectroscopic factors and angular momenta of the parent states by measuring the excitation function of the proton resonance elastic scattering around 0 degrees in the laboratory frame with around 3 MeV/nucleon $^{30}$Mg beam. The present study will reveal the shell evolution around $^{32}$Mg. In addition, the spectroscopic factor of the (7/2)$^{−}$ state which was not yet determined experimentally, may allow one to study the shape coexistence in this nucleus.

  7. Xe ion beam induced rippled structures on differently oriented single-crystalline Si surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hanisch, Antje; Grenzer, Joerg; Facsko, Stefan [Forschungszentrum Dresden-Rossendorf, Institut fuer Ionenstrahlphysik und Materialforschung, PO Box 510119, 01314 Dresden (Germany); Biermanns, Andreas; Pietsch, Ullrich, E-mail: A.Hanisch@fzd.d [Universitaet Siegen, Festkoerperphysik, 57068 Siegen (Germany)

    2010-03-24

    We report on Xe{sup +} induced ripple formation at medium energy on single-crystalline silicon surfaces of different orientations using substrates with an intentional miscut from the [0 0 1] direction and a [1 1 1] oriented wafer. The ion beam incidence angle with respect to the surface normal was kept fixed at 65{sup 0} and the ion beam projection was parallel or perpendicular to the [1 1 0] direction. By a combination of atomic force microscopy, x-ray diffraction and high-resolution transmission electron microscopy we found that the features of the surface and subsurface rippled structures such as ripple wavelength and amplitude and the degree of order do not depend on the surface orientation as assumed in recent models of pattern formation for semiconductor surfaces. (fast track communication)

  8. Structural and electronic properties of a single C chain doped zigzag BN nanoribbons

    International Nuclear Information System (INIS)

    Wu, Ping; Wang, Qianwen; Cao, Gengyu; Tang, Fuling; Huang, Min

    2014-01-01

    The effects of single C-chain on the stability, structural and electronic properties of zigzag BN nanoribbons (ZBNNRs) were investigated by first-principles calculations. C-chain was expected to dope at B-edge for all the ribbon widths N z considered. The band gaps of C-chain doped N z -ZBNNR are narrower than that of perfect ZBNNR due to new localized states induced by C-chain. The band gaps of N z -ZBNNR-C(n) are direct except for the case of C-chain position n=2. Band gaps of BN nanoribbons are tunable by C-chain and its position n, which may endow the potential applications of BNNR in electronics.

  9. Structural characterization of H plasma-doped ZnO single crystals by positron annihilation spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Anwand, Wolfgang; Brauer, Gerhard; Cowan, Thomas E. [Institut fuer Strahlenphysik, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Grambole, Dieter; Skorupa, Wolfgang [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Cizek, Jakub; Kuriplach, Jan; Prochazka, Ivan [Department of Low Temperature Physics, Charles University, V Holesovickach 2, 18000 Prague (Czech Republic); Egger, Werner; Sperr, Peter [Institut fuer Angewandte Physik und Messtechnik, Fakultaet fuer Luft- und Raumfahrttechnik, Universitaet der Bundeswehr, Heisenbergweg 39, 85579 Neubiberg (Germany)

    2010-11-15

    Nominally undoped, hydrothermally grown ZnO single crystals have been investigated before and after exposure to remote H plasma. Structural characterizations have been made by various positron annihilation spectroscopies (continuous and pulsed slow positron beams, conventional lifetime). The content of bound hydrogen (H-b) before and after the remote H plasma treatment at the polished side of the crystals was determined at depths of 100 and 600 nm, respectively, using nuclear reaction analysis. At a depth of 100 nm, H-b increased from (11.8{+-}2.5) to (48.7{+-}7.6) x 10{sup 19} cm{sup -3} after remote H plasma treatment, whereas at 600 nm no change in H-b was observed. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Structural and electronic properties of chiral single-wall copper nanotubes

    Science.gov (United States)

    Duan, YingNi; Zhang, JianMin; Xu, KeWei

    2014-04-01

    The structural, energetic and electronic properties of chiral ( n, m) (3⩽ n⩽6, n/2⩽ m⩽ n) single-wall copper nanotubes (CuNTs) have been investigated by using projector-augmented wave method based on density-functional theory. The (4, 3) CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions, whereas the (5, 5) and (6, 4) CuNTs should be observed in free-standing and tip-suspended conditions, respectively. The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube. Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk. Current transporting states display different periods and chirality, the combined effects of which lead to weaker chiral currents on CuNTs.

  11. Single crystal X-ray structure of the artists’ pigment zinc yellow

    DEFF Research Database (Denmark)

    Simonsen, Kim Pilkjær; Christiansen, Marie Bitsch; Vinum, Morten Gotthold

    2017-01-01

    electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and powder X-ray diffraction (PXRD), showed that the synthesised products and the industrial pigment were identical. Single-crystal X-ray crystallography......The artists’ pigment zinc yellow is in general described as a complex potassium zinc chromate with the empirical formula 4ZnCrO4·K2O·3H2O. Even though the pigment has been in use since the second half of the 19th century also in large-scale industrial applications, the exact structure had hitherto...... been unknown. In this work, zinc yellow was synthesised by precipitation from an aqueous solution of zinc nitrate and potassium chromate under both neutral and basic conditions, and the products were compared with the pigment used in industrial paints. Analyses by Raman microscopy (MRS), scanning...

  12. Structural qualification of the multifunctional instrument tree for installation in double-shell and 100-series single-shell tanks

    International Nuclear Information System (INIS)

    Strohlow, J.P.

    1995-12-01

    This document provides the technical basis and methodology for qualifying the multifunctional instrument tree (MIT) structure for installation in double-shell and 100-series single-shell tanks. Structural qualification for MIT installations in specific tanks are also contained in this document

  13. An International Look at the Single-Parent: Family Structure Matters More for U.S. Students

    Science.gov (United States)

    Woessmann, Ludger

    2015-01-01

    When Daniel Patrick Moynihan raised the issue of family structure half a century ago, his concern was the increase in black families headed by women. Since then, the share of children raised in single-parent families in the United States has grown across racial and ethnic groups and with it evidence regarding the impact of family structure on…

  14. Load requirements for maintaining structural integrity of Hanford single-shell tanks during waste feed delivery and retrieval activities

    International Nuclear Information System (INIS)

    JULYK, L.J.

    1999-01-01

    This document provides structural load requirements and their basis for maintaining the structural integrity of the Hanford Single-Shell Tanks during waste feed delivery and retrieval activities. The requirements are based on a review of previous requirements and their basis documents as well as load histories with particular emphasis on the proposed lead transfer feed tanks for the privatized vitrification plant

  15. Experimental and numerical study of the high-temperature structure of copper single crystal surfaces

    International Nuclear Information System (INIS)

    Loisel, Bertrand

    1989-01-01

    The structure of copper single crystal surfaces has been investigated on an atomic scale using two complementary tools: helium beam diffraction experiments and computer simulations by molecular dynamics. In the case of stepped surfaces, the roughening transition occurs at low temperature. Our helium beam diffraction experiments in the range 70-1000 K reveal this transition at 650±50 K and 150±50 K respectively on the (331) and (310) surfaces. We emphasize the role of the terrace and step structure on the thermal roughness, which is ruled by microscopic energies related to the creation and interaction of defects on the step edges. Adsorbing oxygen on a rough (310) surface gives rise to ordered superstructures. In our computer simulations, the interatomic forces are derived from an empiric N-body potential which leads to a realistic description of the static and dynamical properties of the bulk metal and its surfaces. We analyze the results of high-temperature simulations on the (110) surface. Two types of disorder are distinguished: the creation of adatom-vacancy pairs and the enhancement of the vibrational amplitudes of the atoms near their equilibrium site. We establish that both phenomena take place in the same temperature range. These simulations also indicate the very anisotropic behaviour of the surface at high temperatures (> 1000 K). (author) [fr

  16. Modification of mechanical properties of single crystal aluminum oxide by ion beam induced structural changes

    International Nuclear Information System (INIS)

    Ensinger, W.; Nowak, R.; Horino, Y.; Baba, K.

    1993-01-01

    The mechanical behaviour of ceramics is essentially determined by their surface qualities. As a surface modification technique, ion implantation provides the possibility to modify the mechanical properties of ceramics. Highly energetic ions are implanted into the near-surface region of a material and modify its composition and structure. Ions of aluminum, oxygen, nickel and tantalum were implanted into single-crystal α-aluminum oxide. Three-point bending tests showed that an increase in flexural strength of up to 30% could be obtained after implantation of aluminum and oxygen. Nickel and tantalum ion implantation increased the fracture toughness. Indentation tests with Knoop and Vickers diamonds and comparison of the lengths of the developed radial cracks showed that ion implantation leads to a reaction in cracking. The observed effects are assigned to radiation induced structural changes of the ceramic. Ion bombardment leads to radiation damage and formation of compressive stress. In case of tantalum implantation, the implanted near-surface zone becomes amorphous. These effects make the ceramic more resistant to fracture. (orig.)

  17. Noise bias in the refinement of structures derived from single particles

    International Nuclear Information System (INIS)

    Stewart, Alex; Grigorieff, Nikolaus

    2004-01-01

    One of the main goals in the determination of three-dimensional macromolecular structures from electron microscope images of individual molecules and complexes (single particles) is a sufficiently high spatial resolution, about 4 A, at which the interpretation with an atomic model becomes possible. To reach high resolution, an iterative refinement procedure using an expectation maximization algorithm is often used that leads to a more accurate alignment of the positional and orientational parameters for each particle. We show here the results of refinement algorithms that use a phase residual, a linear correlation coefficient, or a weighted correlation coefficient to align individual particles. The algorithms were applied to computer-generated data sets that contained projections from model structures, as well as noise. The algorithms show different degrees of over-fitting, especially at high resolution where the signal is weak. We demonstrate that the degree of over-fitting is reduced with a weighting scheme that depends on the signal-to-noise ratio in the data. The weighting also improves the accuracy of resolution measurement by the commonly used Fourier shell correlation. The performance of the refinement algorithms is compared to that using a maximum likelihood approach. The weighted correlation coefficient was implemented in the computer program FREALIGN

  18. Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

    2011-09-15

    Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

  19. Translocation of "rod-coil" polymers: probing the structure of single molecules within nanopores.

    Science.gov (United States)

    de Haan, Hendrick W; Slater, Gary W

    2013-01-25

    Using simulation and analytical techniques, we demonstrate that it is possible to extract structural information about biological molecules by monitoring the dynamics as they translocate through nanopores. From Langevin dynamics simulations of polymers exhibiting discrete changes in flexibility (rod-coil polymers), distinct plateaus are observed in the progression towards complete translocation. Characterizing these dynamics via an incremental mean first passage approach, the large steps are shown to correspond to local barriers preventing the passage of the coils while the rods translocate relatively easily. Analytical replication of the results provides insight into the corrugated nature of the free energy landscape as well as the dependence of the effective barrier heights on the length of the coil sections. Narrowing the width of the pore or decreasing the charge on either the rod or the coil segments are both shown to enhance the resolution of structural details. The special case of a single rod confined within a nanopore is also studied. Here, sufficiently long flexible sections attached to either end are demonstrated to act as entropic anchors which can effectively trap the rod within the pore for an extended period of time. Both sets of results suggest new experimental approaches for the control and study of biological molecules within nanopores.

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

    KAUST Repository

    Chen, Chen

    2017-12-20

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

  1. Synthesis, Optical and Structural Properties of Copper Sulfide Nanocrystals from Single Molecule Precursors

    Directory of Open Access Journals (Sweden)

    Peter A. Ajibade

    2017-02-01

    Full Text Available We report the synthesis and structural studies of copper sulfide nanocrystals from copper (II dithiocarbamate single molecule precursors. The precursors were thermolysed in hexadecylamine (HDA to prepare HDA-capped CuS nanocrystals. The optical properties of the nanocrystals studied using UV–visible and photoluminescence spectroscopy showed absorption band edges at 287 nm that are blue shifted, and the photoluminescence spectra show emission curves that are red-shifted with respect to the absorption band edges. These shifts are as a result of the small crystallite sizes of the nanoparticles leading to quantum size effects. The structural studies were carried out using powder X-ray diffraction (XRD, transmission electron microscopy (TEM, scanning electron microscopy (SEM, energy dispersive X-ray spectroscopy (EDS, and atomic force microscopy. The XRD patterns indicates that the CuS nanocrystals are in hexagonal covellite crystalline phases with estimated particles sizes of 17.3–18.6 nm. The TEM images showed particles with almost spherical or rod shapes, with average crystallite sizes of 3–9.8 nm. SEM images showed morphology with ball-like microspheres on the surfaces, and EDS spectra confirmed the presence of CuS nanoparticles.

  2. Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses.

    Science.gov (United States)

    Baral, Khagendra; Li, Aize; Ching, Wai-Yim

    2017-10-12

    A density functional theory (DFT)-based ab initio molecular dynamics (AIMD) has been applied to simulate models of single and mixed alkali silicate glasses with two different molar concentrations of alkali oxides. The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equal proportions of Li-Na and Na-K are studied in detail for subtle variations among the models. Quantum mechanical calculations of electronic structures, interatomic bonding, and mechanical and optical properties are carried out for each of the models, and the results are compared with available experimental observation and other simulations. The calculated results are in good agreement with the experimental data. We have used the novel concept of using the total bond order density (TBOD), a quantum mechanical metric, to characterize internal cohesion in these glass models. The mixed alkali effect (MAE) is visible in the bulk mechanical properties but not obvious in other physical properties studied in this paper. We show that Li doping deviates from expected trend due to the much stronger Li-O bonding than those of Na and K doping. The approach used in this study is in contrast with current studies in alkali-doped silicate glasses based only on geometric characterizations.

  3. Single crystal polarized neutron diffraction study of the magnetic structure of HoFeO3.

    Science.gov (United States)

    Chatterji, T; Stunault, A; Brown, P J

    2017-09-27

    Polarised neutron diffraction measurements have been made on HoFeO 3 single crystals magnetised in both the [0 0 1] and [1 0 0] directions (Pbnm setting). The polarisation dependencies of Bragg reflection intensities were measured both with a high field of [Formula: see text] T parallel to [0 0 1] at [Formula: see text] K and with the lower field [Formula: see text] T parallel to [1 0 0] at [Formula: see text] K. A Fourier projection of magnetization induced parallel to [0 0 1], made using the hk0 reflections measured in 9 T, indicates that almost all of it is due to alignment of Ho moments. Further analysis of the asymmetries of general reflections in these data showed that although, at 70 K, 9 T applied parallel to [0 0 1] hardly perturbs the antiferromagnetic order of the Fe sublattices, it induces significant antiferromagnetic order of the Ho sublattices in the [Formula: see text] plane, with the antiferromagnetic components of moment having the same order of magnitude as the induced ferromagnetic ones. Strong intensity asymmetries measured in the low temperature [Formula: see text] structure with a lower field, 0.5 T [Formula: see text] [1 0 0] allowed the variation of the ordered components of the Ho and Fe moments to be followed. Their absolute orientations, in the [Formula: see text] domain stabilised by the field were determined relative to the distorted perovskite structure. This relationship fixes the sign of the Dzyalshinski-Moriya (D-M) interaction which leads to the weak ferromagnetism. Our results indicate that the combination of strong y-axis anisotropy of the Ho moments and Ho-Fe exchange interactions breaks the centrosymmetry of the structure and could lead to ferroelectric polarization.

  4. Cuttlebone-like V2O5 Nanofibre Scaffolds - Advances in Structuring Cellular Solids

    Science.gov (United States)

    Knöller, Andrea; Runčevski, Tomče; Dinnebier, Robert E.; Bill, Joachim; Burghard, Zaklina

    2017-02-01

    The synthesis of ceramic materials combining high porosity and permeability with good mechanical stability is challenging, as optimising the latter requires compromises regarding the first two properties. Nonetheless, significant progress can be made in this direction by taking advantage of the structural design principles evolved by nature. Natural cellular solids achieve good mechanical stability via a defined hierarchical organisation of the building blocks they are composed of. Here, we report the first synthetic, ceramic-based scaffold whose architecture closely mimics that of cuttlebone -a structural biomaterial whose porosity exceeds that of most other natural cellular solids, whilst preserving an excellent mechanical strength. The nanostructured, single-component scaffold, obtained by ice-templated assembly of V2O5 nanofibres, features a highly sophisticated and elaborate architecture of equally spaced lamellas, which are regularly connected by pillars as lamella support. It displays an unprecedented porosity of 99.8 %, complemented by an enhanced mechanical stability. This novel bioinspired, functional material not only displays mechanical characteristics similar to natural cuttlebone, but the multifunctionality of the V2O5 nanofibres also renders possible applications, including catalysts, sensors and electrodes for energy storage.

  5. Single ICMEs and Complex Transient Structures in the Solar Wind in 2010 - 2011

    Science.gov (United States)

    Rodkin, D.; Slemzin, V.; Zhukov, A. N.; Goryaev, F.; Shugay, Y.; Veselovsky, I.

    2018-05-01

    the single-source and multi-source solar wind structures and compared them with the ICME signatures determined from the kinematic and magnetic field parameters of the solar wind. In single-source events, the ion charge state, as a rule, has a one-peak enhancement with an average duration of about one day, which is similar to the mean ICME duration of 1.12 days derived from the Richardson and Cane list. In the multi-source events, the total profile of the ion charge state consists of a sequence of enhancements that is associated with the interaction between the participating streams. On average, the total duration of the complex structures that appear as a result of the CME-CME and CME-HSS interactions as determined from their ion composition is 2.4 days, which is more than twice longer than that of the single-source events.

  6. Reliability of multi-model and structurally different single-model ensembles

    Energy Technology Data Exchange (ETDEWEB)

    Yokohata, Tokuta [National Institute for Environmental Studies, Center for Global Environmental Research, Tsukuba, Ibaraki (Japan); Annan, James D.; Hargreaves, Julia C. [Japan Agency for Marine-Earth Science and Technology, Research Institute for Global Change, Yokohama, Kanagawa (Japan); Collins, Matthew [University of Exeter, College of Engineering, Mathematics and Physical Sciences, Exeter (United Kingdom); Jackson, Charles S.; Tobis, Michael [The University of Texas at Austin, Institute of Geophysics, 10100 Burnet Rd., ROC-196, Mail Code R2200, Austin, TX (United States); Webb, Mark J. [Met Office Hadley Centre, Exeter (United Kingdom)

    2012-08-15

    The performance of several state-of-the-art climate model ensembles, including two multi-model ensembles (MMEs) and four structurally different (perturbed parameter) single model ensembles (SMEs), are investigated for the first time using the rank histogram approach. In this method, the reliability of a model ensemble is evaluated from the point of view of whether the observations can be regarded as being sampled from the ensemble. Our analysis reveals that, in the MMEs, the climate variables we investigated are broadly reliable on the global scale, with a tendency towards overdispersion. On the other hand, in the SMEs, the reliability differs depending on the ensemble and variable field considered. In general, the mean state and historical trend of surface air temperature, and mean state of precipitation are reliable in the SMEs. However, variables such as sea level pressure or top-of-atmosphere clear-sky shortwave radiation do not cover a sufficiently wide range in some. It is not possible to assess whether this is a fundamental feature of SMEs generated with particular model, or a consequence of the algorithm used to select and perturb the values of the parameters. As under-dispersion is a potentially more serious issue when using ensembles to make projections, we recommend the application of rank histograms to assess reliability when designing and running perturbed physics SMEs. (orig.)

  7. Structure Based Thermostability Prediction Models for Protein Single Point Mutations with Machine Learning Tools.

    Directory of Open Access Journals (Sweden)

    Lei Jia

    Full Text Available Thermostability issue of protein point mutations is a common occurrence in protein engineering. An application which predicts the thermostability of mutants can be helpful for guiding decision making process in protein design via mutagenesis. An in silico point mutation scanning method is frequently used to find "hot spots" in proteins for focused mutagenesis. ProTherm (http://gibk26.bio.kyutech.ac.jp/jouhou/Protherm/protherm.html is a public database that consists of thousands of protein mutants' experimentally measured thermostability. Two data sets based on two differently measured thermostability properties of protein single point mutations, namely the unfolding free energy change (ddG and melting temperature change (dTm were obtained from this database. Folding free energy change calculation from Rosetta, structural information of the point mutations as well as amino acid physical properties were obtained for building thermostability prediction models with informatics modeling tools. Five supervised machine learning methods (support vector machine, random forests, artificial neural network, naïve Bayes classifier, K nearest neighbor and partial least squares regression are used for building the prediction models. Binary and ternary classifications as well as regression models were built and evaluated. Data set redundancy and balancing, the reverse mutations technique, feature selection, and comparison to other published methods were discussed. Rosetta calculated folding free energy change ranked as the most influential features in all prediction models. Other descriptors also made significant contributions to increasing the accuracy of the prediction models.

  8. Structure of the gene for human butyrylcholinesterase. Evidence for a single copy

    International Nuclear Information System (INIS)

    Arpagaus, M.; Kott, M.; Vatsis, K.P.; Bartels, C.F.; La Du, B.N.; Lockridge, O.

    1990-01-01

    The authors have isolated five genomic clones for human butyrylcholinesterase (BChE), using cDNA probes encoding the catalytic subunit of the hydrophilic tetramer. The BChE gene is at least 73 kb long and contains for exons. Exon 1 contains untranslated sequences and two potential translation initiation sites at codons -69 and -47. Exon 2 (1525 bp) contains 83% of the coding sequence for the mature protein, including the N-terminal and the active-site serine, and a third possible translation initiation site (likely functional), at codon -28. Exon 3 is 167 nucleotides long. Exon 4 (604 bp) codes for the C-terminus of the protein and the 3' untranslated region where two polyadenylation signals were identified. Intron 1 is 6.5 km long, and the minimal sizes of introns 2 and 3 are estimated to be 32 km each. Southern blot analysis of total human genomic DNA is in complete agreement with the gene structure established by restriction endonuclease mapping of the genomic clones: this strongly suggests that the BChE gene is present in a single copy

  9. Structure and Electronic Properties of In Situ Synthesized Single-Layer MoS2 on a Gold Surface

    DEFF Research Database (Denmark)

    Sørensen, Signe Grønborg; Füchtbauer, Henrik Gøbel; Tuxen, Anders Kyrme

    2014-01-01

    When transition metal sulfides such as MoS2 are present in the single-layer form, the electronic properties change in fundamental ways, enabling them to be used, e.g., in two-dimensional semiconductor electronics, optoelectronics, and light harvesting. The change is related to a subtle modification...... with scanning tunneling microscopy and X-ray photoelectron spectroscopy characterization of two-dimensional single-layer islands of MoS2 synthesized directly on a gold single crystal substrate. Thanks to a periodic modulation of the atom stacking induced by the lattice mismatch, we observe a structural buckling...

  10. Neutron beam applications - Development of single crystal structure analysis technique using the HANARO neutron four circle diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Il Hwan; Kim, Moon Jib; Kim, Jin Gyu [Chungnam National University, Taejon (Korea)

    2000-04-01

    As the four circle diffractometer (FCD) has been set up in HANARO, it has become possible to study the single crystal structures by means of the neutron diffraction. Taking account of the geometry of the FCD, a program for the control of te FCD and neutron data acquisition operating under Windows' circumstance has been accomplished. Also, a computer program which can automatically measure the diffraction intensity data has been developed. All data obtained from the FCD are processed automatically for further work and a software for the single crystal structure analyses has been prepared. A KC1 single crystal was selected as first test sample for a structure analysis had been successfully performed on the FCD using in-house developed program and accordingly their functionings with precision were confirmed. For regular single crystal diffraction experiments, the structure analyses of chrysoberyl and Zr(Y)0{sub 1.87} single crystals were performed using both neutron and X-ray diffraction methods, and the result showed that the neutron diffraction work is superior to the X-ray one from the viewpoint of certain crystallographic information obtainable only from the former one. 24 refs., 15 figs., 15 tabs. (Author)

  11. Single-crystal structure determination of hydrous minerals and insights into a wet deep lower mantle

    Science.gov (United States)

    Zhang, L.; Yuan, H.; Meng, Y.; Popov, D.

    2017-12-01

    Water enters the Earth's interior through hydrated subducting slabs. How deep within the lower mantle (670-2900 km depth) can water be transported down and stored depends upon the availability of hydrous phases that is thermodynamically stable under the high P-T conditions and have a sufficiently high density to sink through the lower mantle. Phase H [MgSiH2O4] (1) and the δ-AlOOH (2) form solid solutions that are stable in the deep lower mantle (3), but the solid solution phase is 10% lighter than the corresponding lower mantle. Recent experimental discoveries of the pyrite (Py) structured FeO2 and FeOOH (4-6) suggest that these Fe-enriched phases can be transported to the deepest lower mantle owing to their high density. We have further discovered a very dense hydrous phase in (Fe,Al)OOH with a previously unknown hexagonal symmetry and this phase is stable relative to the Py-phase under extreme high P-T conditions in the deep lower mantle. Through in situ multigrain analysis (7) and single-crystal structure determination of the hydrous minerals at P-Tconditions of the deep lower mantle, we can obtain detailed structure information of the hydrous phases and therefore provide insights into the hydration mechanism in the deep lower mantle. These highly stable hydrous minerals extend the water cycle at least to the depth of 2900 km. 1. M. Nishi et al., Nature Geoscience 7, 224-227 (2014). 2. E. Ohtani, K. Litasov, A. Suzuki, T. Kondo, Geophysical Research Letters 28, 3991-3993 (2001). 3. I. Ohira et al., Earth and Planetary Science Letters 401, 12-17 (2014). 4. Q. Hu et al., Proceedings of the National Academy of Sciences of the United States of America 114, 1498-1501 (2017). 5. M. Nishi, Y. Kuwayama, J. Tsuchiya, T. Tsuchiya, Nature 547, 205-208 (2017). 6. Q. Hu et al., Nature 534, 241-244 (2016). 7. L. Zhang et al., American Mineralogist 101, 231-234 (2016).

  12. Effect of the electronic structure of the etched CdTe single crystals on the exciton radiation processes

    International Nuclear Information System (INIS)

    Tkachuk, P.M.; Tkachuk, V.Yi.; Mel'nichuk, S.V.; Kurik, M.V.

    2005-01-01

    Under optical excitation the structure of the radiation beyond fundamental absorption of the orientated CdTe single crystals caused by LO-phonon scattering processes of the electron-hole states is observed. Crystals have been doped with impurity of Cl as a result of the surface preparing by etching in Br-methanol. Electronic structure of the single crystals surface layer is identified on the basis of two-phonon radiation absorption investigation. Taking into account the modes selection rules the one and two phonon scattering mechanisms for two crystals surface orientations are determined

  13. Single-subject structural networks with closed-form rotation invariant matching mprove power in developmental studies of the cortex.

    Science.gov (United States)

    Kandel, Benjamin M; Wang, Danny J J; Gee, James C; Avants, Brian B

    2014-01-01

    Although much attention has recently been focused on single-subject functional networks, using methods such as resting-state functional MRI, methods for constructing single-subject structural networks are in their infancy. Single-subject cortical networks aim to describe the self-similarity across the cortical structure, possibly signifying convergent developmental pathways. Previous methods for constructing single-subject cortical networks have used patch-based correlations and distance metrics based on curvature and thickness. We present here a method for constructing similarity-based cortical structural networks that utilizes a rotation-invariant representation of structure. The resulting graph metrics are closely linked to age and indicate an increasing degree of closeness throughout development in nearly all brain regions, perhaps corresponding to a more regular structure as the brain matures. The derived graph metrics demonstrate a four-fold increase in power for detecting age as compared to cortical thickness. This proof of concept study indicates that the proposed metric may be useful in identifying biologically relevant cortical patterns.

  14. Neutron production in the interaction of electrons with a dispersing lamella; Produccion de neutrones en la interaccion de electrones con una laminilla dispersora

    Energy Technology Data Exchange (ETDEWEB)

    Soto B, T. G.; Baltazar R, A.; Medina C, D.; Vega C, H. R., E-mail: tzinnia.soto@gmail.com [Universidad Autonoma de Zacatecas, Cipres No. 10, Fracc. La Penuela, 98060 Zacatecas, Zac. (Mexico)

    2017-10-15

    When a Linac for radiotherapy operates with acceleration voltages greater than 8 MV, neutrons are produced as secondary radiation. They deposit an undesirable and not negligible dose in the patient. Depending on the type of tumor, its location in the body and the characteristics of the patient, cancer treatment with a Linac is done with photon or electron beams, which produce neutrons through reactions (γ, n) and e, e n) respectively. Because the effective section of the reaction (n, γ) is 137 times greater than the reaction (e, e n), most studies have focused on photo neutrons. When a Linac operates with electron beams, the beam that leaves the magnetic baffle is incised in the dispersion foil in order to cause quasi-elastic interactions and expand the spatial distribution of the electrons; in their interaction with the lamella the electrons produce photons and these in turn produce neutrons. Due to the radiobiological efficiency of neutrons and the ways in which they interact with matter, is important to determine the neutrons production in Linacs operating in electron mode. The objective of this work is to determine the characteristics of photons and neutrons that occur when a beam of mono-energetic electrons of 2 mm in diameter (pencil beam) is made to impinge on a tungsten lamella of 1 cm in diameter and 0.5 mm thick located in the center of a 10 cm thick tungsten shell, used to represent the accelerator head. The study was carried out using the Monte Carlo method with the MCNP6 code for electron beams of 12 and 18 MeV. The spectra of photons and neutrons were estimated in 6 point detectors, four were placed in different points equidistant from the center of the lamella and the other two were located at 50 cm and 1 m from the electron beam, simulating the totally closed head. In this work it was found that when a Linac operates with an electron beam of 12 or 18 MeV there is neutron production mainly in the head and in the direction of the beam. (Author)

  15. Presumed Multiple Metasomatism underneath the Colorado Plateau; Decoding from Chemistry and Inclusion/Lamella Mineralogy of Diverse Garnets from the Garnet Ridge, Northern Arizona

    Science.gov (United States)

    Sato, Y.; Ogasawara, Y.

    2015-12-01

    Various garnets containing the information on mantle petrology and related metasomatism occur at the Garnet Ridge, Colorado Plateau. The origins of garnets range from deep mantle to shallow continental crust. These garnets were delivered by kimberlitic diatreme of 30 Ma (Smith et al. 2004). We have classified the garnets into 10 groups (A to J, see figure) by naked eye observation, major chemistry, minor Na-Ti-P, inclusion/lamella mineralogy. Among them, groups A to D are of mantle origin, E to G of subducted oceanic crust origin, and H to J of continental crust origin. We summarized results as in the followings. A: Cr and pyrope-rich garnet has Cr2O3(0.8-6.3 wt.%) and inclusions of Ol, Cpx, Opx, Ti-Chu/Chn and carbonates, indicating carbonated garnet lherzolites as host. Cr contents negatively correlates with Na-Ti-P contents and occurrence of exsolved Rt, Ilm and crichtonite. This indicates Cr-rich end-member is the most "primitive" mantle garnet before metasomatism. B: Pyrope-rich reddish brown garnet of peridotitic origins was subdivided into 4 subgroups (B1 to B4, see figure). Compositional range in Ca-Mg-Fe triangle expands to Fe-rich side from group A. Exsolved Na-bearing amphibole and inclusions of Ap, carbonates and fluid were identified. These indicate metasomatism of group A. C: Garnet megacryst is coarse-grained garnet (2-10 cm across) with crystal faces. This garnet has wide chemical variation plotted in the center area of Ca-Mg-Fe triangle. D: Garnet aggregate has similar chemistry of group C and is composed of several grains. Grain boundaries of garnet were recognized by Rt, Ilm and other minerals and oscillatory zonings of Ca, Mg, Fe and Na-Ti-P. Fluid inclusions of groups C and D suggest these garnets might crystalized from fluid. E: Garnet in eclogite and F: Garnet in metasomatized eclogite are xenolith samples (the Fallaron Plate origin?). Aggregate of Zo+Ab contained in group E indicates decomposed precursor lawsonite inclusion. G: Quartz

  16. Structure, morphology, and magnetic properties of Fe nanoparticles deposited onto single-crystalline surfaces

    Directory of Open Access Journals (Sweden)

    Armin Kleibert

    2011-01-01

    Full Text Available Background: Magnetic nanostructures and nanoparticles often show novel magnetic phenomena not known from the respective bulk materials. In the past, several methods to prepare such structures have been developed – ranging from wet chemistry-based to physical-based methods such as self-organization or cluster growth. The preparation method has a significant influence on the resulting properties of the generated nanostructures. Taking chemical approaches, this influence may arise from the chemical environment, reaction kinetics and the preparation route. Taking physical approaches, the thermodynamics and the kinetics of the growth mode or – when depositing preformed clusters/nanoparticles on a surface – the landing kinetics and subsequent relaxation processes have a strong impact and thus need to be considered when attempting to control magnetic and structural properties of supported clusters or nanoparticles.Results: In this contribution we focus on mass-filtered Fe nanoparticles in a size range from 4 nm to 10 nm that are generated in a cluster source and subsequently deposited onto two single crystalline substrates: fcc Ni(111/W(110 and bcc W(110. We use a combined approach of X-ray magnetic circular dichroism (XMCD, reflection high energy electron diffraction (RHEED and scanning tunneling microscopy (STM to shed light on the complex and size-dependent relation between magnetic properties, crystallographic structure, orientation and morphology. In particular XMCD reveals that Fe particles on Ni(111/W(110 have a significantly lower (higher magnetic spin (orbital moment compared to bulk iron. The reduced spin moments are attributed to the random particle orientation being confirmed by RHEED together with a competition of magnetic exchange energy at the interface and magnetic anisotropy energy in the particles. The RHEED data also show that the Fe particles on W(110 – despite of the large lattice mismatch between iron and tungsten – are

  17. Design and prototyping of self-centering optical single-mode fiber alignment structures

    International Nuclear Information System (INIS)

    Ebraert, Evert; Gao, Fei; Thienpont, Hugo; Van Erps, Jürgen; Beri, Stefano; Watté, Jan

    2016-01-01

    The European Commission’s goal of providing each European household with at least a 30 Mb s −1 Internet connection by 2020 would be facilitated by a widespread deployment of fibre-to-the-home, which would in turn be sped up by the development of connector essential components, such as high-precision alignment features. Currently, the performance of state-of-the-art physical contact optical fiber connectors is limited by the tolerance on the cladding of standard telecom-grade single-mode fiber (SMF), which is typically smaller than  ±1 μ m. We propose to overcome this limit by developing micro-spring-based self-centering alignment structures (SCAS) for SMF-connectors. We design these alignment structures with robustness and low-cost replication in mind, allowing for large-scale deployment. Both theoretical and finite element analysis (FEA) models are used to determine the optimal dimensions of the beams of which the micro-springs of the SCAS are comprised. Two topologies of the SCAS, consisting of three and four micro-springs respectively, are investigated for two materials: polysulfone (PSU) and polyetherimide (PEI). These materials hold great potential for high-performance fiber connectors while being compatible with low-cost production and with the harsh environmental operation conditions of those connectors. The theory and FEA agree well (<3% difference) for a simple micro-spring. When including a pedestal on the micro-spring (to bring it further away from the fiber) and for shorter spring lengths the agreement worsens. This is due to spring compression effects not being taken into account in our theoretical model. Prototypes are successfully fabricated using deep proton writing and subsequently characterized. The controlled insertion of an SMF in the SCAS is investigated and we determine that a force of 0.11 N is required. The fiber insertion also causes an out-of-plane deformation of the micro-springs in the SCAS of about 7 μ m, which is no

  18. Single-neutron knockout from 20C and the structure of 19C

    Directory of Open Access Journals (Sweden)

    J.W. Hwang

    2017-06-01

    Full Text Available The low-lying unbound level structure of the halo nucleus 19C has been investigated using single-neutron knockout from 20C on a carbon target at 280 MeV/nucleon. The invariant mass spectrum, derived from the momenta of the forward going beam velocity 18C fragment and neutrons, was found to be dominated by a very narrow near threshold (Erel=0.036(1 MeV peak. Two less strongly populated resonance-like features were also observed at Erel=0.84(4 and 2.31(3 MeV, both of which exhibit characteristics consistent with neutron p-shell hole states. Comparisons of the energies, measured cross sections and parallel momentum distributions to the results of shell-model and eikonal reaction calculations lead to spin-parity assignments of 5/21+ and 1/21− for the levels at Ex=0.62(9 and 2.89(10 MeV with Sn=0.58(9 MeV. Spectroscopic factors were also deduced and found to be in reasonable accord with shell-model calculations. The valence neutron configuration of the 20C ground state is thus seen to include, in addition to the known 1s1/22 component, a significant 0d5/22 contribution. The level scheme of 19C, including significantly the 1/21− cross-shell state, is well accounted for by the YSOX shell-model interaction developed from the monopole-based universal interaction.

  19. Influence of the structural properties on the pseudocritical magnetic behavior of single-wall ferromagnetic nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Salazar-Enriquez, C.D. [PCM Computational Applications, Universidad Nacional de Colombia - Sede Manizales, A.A. 127 Manizales (Colombia); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [PCM Computational Applications, Universidad Nacional de Colombia - Sede Manizales, A.A. 127 Manizales (Colombia); Restrepo, J. [Grupo de Magnetismo y Simulacion Gplus, Instituto de Fisica, Universidad de Antioquia, A.A. 1226 Medellin (Colombia)

    2012-04-15

    In this work we address the influence of the crystalline structure, concretely when the system under study is formed by square or hexagonal unit cells, upon the magnetic properties and pseudocritical behavior of single-wall ferromagnetic nanotubes. We focus not only on the effect of the geometrical shape of the unit cell but also on their dimensions. The model employed is based on the Monte Carlo method, the Metropolis dynamics and a nearest neighbors classical Heisenberg Hamiltonian. Magnetization per magnetic site, magnetic susceptibility, specific heat and magnetic energy were computed. These properties were computed varying the system size, unit cell dimension and temperature. The dependence of the nearest neighbor exchange integral on the nanotubes geometrical characteristics is also discussed. Results revealed a strong influence of the system topology on the magnetic properties caused by the difference in the coordination number between square and hexagonal unit cell. Moreover, the nanotubes diameter influence on magnetic properties is only observed at very low values, when the distance between atoms is less than it, presented by the 2D sheet. On the other hand, it was concluded that the surface-related finite-size effects do not influence the magnetic nanotubes properties, contrary to the case of other nano-systems as thin films and nanoparticles among others. - Highlights: Black-Right-Pointing-Pointer Unit cell geometry has strong influence on the magnetic properties in ferromagnetic nanotubes. Black-Right-Pointing-Pointer The nanotube diameter increase produces a decrease of interaction between nearest neighbor. Black-Right-Pointing-Pointer Surface-related finite-size effects do not influence the magnetic nanotubes properties.

  20. Influence of the structural properties on the pseudocritical magnetic behavior of single-wall ferromagnetic nanotubes

    International Nuclear Information System (INIS)

    Salazar-Enríquez, C.D.; Restrepo-Parra, E.; Restrepo, J.

    2012-01-01

    In this work we address the influence of the crystalline structure, concretely when the system under study is formed by square or hexagonal unit cells, upon the magnetic properties and pseudocritical behavior of single-wall ferromagnetic nanotubes. We focus not only on the effect of the geometrical shape of the unit cell but also on their dimensions. The model employed is based on the Monte Carlo method, the Metropolis dynamics and a nearest neighbors classical Heisenberg Hamiltonian. Magnetization per magnetic site, magnetic susceptibility, specific heat and magnetic energy were computed. These properties were computed varying the system size, unit cell dimension and temperature. The dependence of the nearest neighbor exchange integral on the nanotubes geometrical characteristics is also discussed. Results revealed a strong influence of the system topology on the magnetic properties caused by the difference in the coordination number between square and hexagonal unit cell. Moreover, the nanotubes diameter influence on magnetic properties is only observed at very low values, when the distance between atoms is less than it, presented by the 2D sheet. On the other hand, it was concluded that the surface-related finite-size effects do not influence the magnetic nanotubes properties, contrary to the case of other nano-systems as thin films and nanoparticles among others. - Highlights: ► Unit cell geometry has strong influence on the magnetic properties in ferromagnetic nanotubes. ► The nanotube diameter increase produces a decrease of interaction between nearest neighbor. ► Surface-related finite-size effects do not influence the magnetic nanotubes properties.

  1. Structure and dynamics of thylakoids in land plants

    DEFF Research Database (Denmark)

    Pribil, Mathias; Labs, Mathias; Leister, Dario

    2014-01-01

    Thylakoids of land plants have a bipartite structure, consisting of cylindrical grana stacks, made of membranous discs piled one on top of the other, and stroma lamellae which are helically wound around the cylinders. Protein complexes predominantly located in the stroma lamellae and grana end....... Depending on light conditions, thylakoid membranes undergo dynamic structural changes that involve alterations in granum diameter and height, vertical unstacking of grana, and swelling of the thylakoid lumen. This plasticity is realized predominantly by reorganization of the supramolecular structure...

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

    Czech Academy of Sciences Publication Activity Database

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

    2017-01-01

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

  3. Atomic force microscopy imaging and 3-D reconstructions of serial thin sections of a single cell and its interior structures

    International Nuclear Information System (INIS)

    Chen Yong; Cai Jiye; Zhao Tao; Wang Chenxi; Dong Shuo; Luo Shuqian; Chen, Zheng W.

    2005-01-01

    The thin sectioning has been widely applied in electron microscopy (EM), and successfully used for an in situ observation of inner ultrastructure of cells. This powerful technique has recently been extended to the research field of atomic force microscopy (AFM). However, there have been no reports describing AFM imaging of serial thin sections and three-dimensional (3-D) reconstruction of cells and their inner structures. In the present study, we used AFM to scan serial thin sections approximately 60 nm thick of a mouse embryonic stem (ES) cell, and to observe the in situ inner ultrastructure including cell membrane, cytoplasm, mitochondria, nucleus membrane, and linear chromatin. The high-magnification AFM imaging of single mitochondria clearly demonstrated the outer membrane, inner boundary membrane and cristal membrane of mitochondria in the cellular compartment. Importantly, AFM imaging on six serial thin sections of a single mouse ES cell showed that mitochondria underwent sequential changes in the number, morphology and distribution. These nanoscale images allowed us to perform 3-D surface reconstruction of interested interior structures in cells. Based on the serial in situ images, 3-D models of morphological characteristics, numbers and distributions of interior structures of the single ES cells were validated and reconstructed. Our results suggest that the combined AFM and serial-thin-section technique is useful for the nanoscale imaging and 3-D reconstruction of single cells and their inner structures. This technique may facilitate studies of proliferating and differentiating stages of stem cells or somatic cells at a nanoscale

  4. Prediction by graph theoretic measures of structural effects in proteins arising from non-synonymous single nucleotide polymorphisms.

    Directory of Open Access Journals (Sweden)

    Tammy M K Cheng

    Full Text Available Recent analyses of human genome sequences have given rise to impressive advances in identifying non-synonymous single nucleotide polymorphisms (nsSNPs. By contrast, the annotation of nsSNPs and their links to diseases are progressing at a much slower pace. Many of the current approaches to analysing disease-associated nsSNPs use primarily sequence and evolutionary information, while structural information is relatively less exploited. In order to explore the potential of such information, we developed a structure-based approach, Bongo (Bonds ON Graph, to predict structural effects of nsSNPs. Bongo considers protein structures as residue-residue interaction networks and applies graph theoretical measures to identify the residues that are critical for maintaining structural stability by assessing the consequences on the interaction network of single point mutations. Our results show that Bongo is able to identify mutations that cause both local and global structural effects, with a remarkably low false positive rate. Application of the Bongo method to the prediction of 506 disease-associated nsSNPs resulted in a performance (positive predictive value, PPV, 78.5% similar to that of PolyPhen (PPV, 77.2% and PANTHER (PPV, 72.2%. As the Bongo method is solely structure-based, our results indicate that the structural changes resulting from nsSNPs are closely associated to their pathological consequences.

  5. Structural and electronic properties of single molecules and organic layers on surfaces

    NARCIS (Netherlands)

    Sotthewes, Kai

    2016-01-01

    Single molecules and organic layers on well-defined solid surfaces have attracted tremendous attention owing to their interesting physical and chemical properties. The ultimate utility of single molecules or self-assembled monolayers (SAMs) for potential applications is critically dependent on the

  6. A structurally based analytic model of growth and biomass dynamics in single species stands of conifers

    Science.gov (United States)

    Robin J. Tausch

    2015-01-01

    A theoretically based analytic model of plant growth in single species conifer communities based on the species fully occupying a site and fully using the site resources is introduced. Model derivations result in a single equation simultaneously describes changes over both, different site conditions (or resources available), and over time for each variable for each...

  7. ASSOCIATION BETWEEN SINGLE-PARENT FAMILY STRUCTURE AND AGE OF SEXUAL DEBUT AMONG YOUNG PERSONS IN JAMAICA.

    Science.gov (United States)

    Oshi, Daniel C; Mckenzie, Jordan; Baxter, Martin; Robinson, Royelle; Neil, Stephan; Greene, Tayla; Wright, Wayne; Lodge, Jeorghino

    2018-02-26

    There is a high and increasing proportion of single-parent families in Jamaica. This has raised concerns about the potential impact of single-parent families on the social, cognitive and behavioural development of children, including their sexual relationships. The aim of this study was to investigate the association between being raised in a single-parent family and age of sexual debut among young people in Jamaica. The study was cross-sectional in design, and based on a multi-stage sampling procedure. The study was conducted in July/September 2016. The study sample comprised 233 respondents (110 males and 123 females) aged from 18 to 35 years (mean 26.37 years; SD 5.46). Respondents completed a self-administered questionnaire with questions on socio-demographic characteristics, family structure, sexual debut and current sexual behaviour. Ninety-seven (41.7%) respondents grew up in single-parent families. A total of 201 (86.3%) had had sex (102 males and 99 females). Their mean age of sexual debut was 15.51 years (SD 3.41). Sixty-five (32.3%) had early sexual debut (single-parent families were more likely to have had early sexual debut (56.9%; n=37) compared with those from two-parent families (43.1%, n=28; p=0.004). Only 44.6% (n=29) of those who experienced early sexual debut used a condom during their first sexual encounter compared with 73% (n=100) of those who had a later sexual debut (≥16 years; p=single-father family structure was a significant predictor of early sexual debut (AOR 5.5; 95%CI: 1.1-25.8). The study found a significant association between single-parent family structure and age of sexual debut.

  8. 26 CFR 1.48-10 - Single purpose agricultural or horticultural structures.

    Science.gov (United States)

    2010-04-01

    ... the rafters by thin steel girders and wires. The floor of the structure is a sloping concrete slab... commercial production of plants. The greenhouse is a rectangular structure with translucent fiberglass walls... structure has a sloping concrete floor. The other part of the structure constitutes more than two-thirds of...

  9. Direct writing of large-area micro/nano-structural arrays on single crystalline germanium substrates using femtosecond lasers

    Science.gov (United States)

    Li, Lin; Wang, Jun

    2017-06-01

    A direct writing technique for fabricating micro/nano-structural arrays without using a multi-scanning process, multi-beam interference, or any assisted microlens arrays is reported. Various sub-wavelength micro/nano-structural arrays have been directly written on single crystalline germanium substrate surfaces using femtosecond laser pulses. The evolution of the multiscale surface morphology from periodic micro/nano-structures to V-shaped microgrooves has been achieved, and the relationship between array characteristics and laser polarization directions has been discussed. The self-organization model agrees well with the experimental results in this study.

  10. Single-shot mega-electronvolt ultrafast electron diffraction for structure dynamic studies of warm dense matter

    Energy Technology Data Exchange (ETDEWEB)

    Mo, M. Z., E-mail: mmo09@slac.stanford.edu; Shen, X.; Chen, Z.; Li, R. K.; Dunning, M.; Zheng, Q.; Weathersby, S. P.; Reid, A. H.; Coffee, R.; Makasyuk, I.; Edstrom, S.; McCormick, D.; Jobe, K.; Hast, C.; Glenzer, S. H.; Wang, X. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Sokolowski-Tinten, K. [Faculty of Physics and Centre for Nanointegration Duisburg-Essen, University of Duisburg-Essen, Lotharstrasse 1, D-47048 Duisburg (Germany)

    2016-11-15

    We have developed a single-shot mega-electronvolt ultrafast-electron-diffraction system to measure the structural dynamics of warm dense matter. The electron probe in this system is featured by a kinetic energy of 3.2 MeV and a total charge of 20 fC, with the FWHM pulse duration and spot size at sample of 350 fs and 120 μm respectively. We demonstrate its unique capability by visualizing the atomic structural changes of warm dense gold formed from a laser-excited 35-nm freestanding single-crystal gold foil. The temporal evolution of the Bragg peak intensity and of the liquid signal during solid-liquid phase transition are quantitatively determined. This experimental capability opens up an exciting opportunity to unravel the atomic dynamics of structural phase transitions in warm dense matter regime.

  11. Regio-Regular Oligo and Poly(3-hexyl thiophene): Precise Structural Markers from the Vibrational Spectra of Oligomer Single Crystals.

    KAUST Repository

    Brambilla, Luigi

    2014-10-14

    © 2014 American Chemical Society. In this work, we report a comparative analysis of the infrared and Raman spectra of octa(3-hexylthiophene) (3HT)8, trideca(3-hexylthiophene) (3HT)13, and poly(3-hexylthiophene) P3HT recorded in various phases, namely, amorphous, semicrystalline, polycrystalline and single crystal. We have based our analysis on the spectra of the (3HT)8 single crystal (whose structure has been determined by selected area electron diffraction) taken as reference and on the results of DFT calculations and molecular vibrational dynamics. New and precise spectroscopic markers of the molecular structures show the existence of three phases, namely: hairy (phase 1), ordered (phase 2), and disordered/amorphous (phase 3). Conceptually, the identified markers can be used for the molecular structure analysis of other similar systems.

  12. Morphological Transition in the Cellular Structure of Single Crystals of Nickel-Tungsten Alloys near the Congruent Melting Point

    International Nuclear Information System (INIS)

    Azhazha, V.M.; Ladygin, A.N.; Sverdlov, V.Ja.; Zhemanyuk, P.D.; Klochikhin, V.V.

    2005-01-01

    The structure and microhardness of single crystals of nickel-tungsten alloys containing 25-36 wt % W are investigated. The temperature gradient at the crystallization front and the velocity of the crystallization front are the variable parameters of directional crystallization. It is found that, when the velocity of the crystallization front is 4 mm/min, the morphology of the cellular structure of the single crystals grown from nickel-tungsten alloys changes from square cells to hexagonal cells at a tungsten content of greater than or equal to 31 wt %. As the velocity of the crystallization front increases to 10 mm/min, no morphological transition occurs. It is shown that impurities play an important role in the formation of a cellular structure with cells of different types

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  14. Structural study of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Yuto [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan); Matsushita, Yoshitaka [National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Oda, Migaku; Yoshida, Hiroyuki [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan)

    2017-02-15

    Single crystals of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} were synthesized and the crystal structures at 293 K and 113 K were studied using X-ray diffraction experiments. We found a structural phase transition from the room-temperature crystal structure with space group C2/c to a low-temperature structure with space group P2{sub 1}/c, resulting from a rotational displacement of SiO{sub 4} tetrahedra. The temperature dependence of magnetic susceptibility shows a broad maximum around 116 K, suggesting an opening of the Haldane gap expected for one-dimensional antiferromagnets with S=1. However, an antiferromagnetic long-range order was developed below 24 K, probably caused by a weak inter-chain magnetic coupling in the compound. - Graphical abstract: Low temperature crystal structure of LiVSi{sub 2}O{sub 6} and an orbital arrangement within the V-O zig-zag chain along the c-axis. - Highlights: • A low temperature structure of LiVSi{sub 2}O{sub 6} was determined by single crystal X-ray diffraction measurements. • The origin of the structural transition is a rotational displacement of SiO{sub 4} tetrahedra. • The uniform orbital overlap in the V-O zigzag chain makes the system a quasi one-dimensional antiferromagnet.

  15. Growth, structure and magnetic properties of single crystalline Fe/CoO/Ag(001) bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Abrudan, R.M.

    2007-07-16

    The structural and magnetic properties of epitaxially deposited single-crystalline CoO layers and Fe/CoO bilayers on Ag(001) were investigated. CoO films on Ag(001) exhibit (1 x 1) Low Energy Electron Diffraction (LEED) patterns similar to the clean Ag(001) substrate. The vertical interlayer spacing of the CoO films, deduced from a kinematic analysis of LEED I(E) curves, is a {sub perpendicular} {sub to} /2=2.17 Aa, slightly expanded along the film normal. Scanning Tunneling Microscopy (STM) show a big improvement in the surface roughness after annealing the CoO films at 750 K in oxygen atmosphere. Magnetic measurements using the magneto-optical Kerr effect (MOKE) show a characteristic increase of the coercive field when the Fe/CoO bilayer system is cooled down from room temperature to 150 K. The ordering temperature for the antiferromagnetic layer is in the same range as the Neel temperature for bulk CoO (T{sub N}=290 K). X-ray absorption spectroscopy was employed to probe magnetic and electronic properties with elemental selectivity. Absorption spectra taken from bilayers with different amounts of deposited Fe show only a weak indication for the formation of Fe oxide at the Fe/CoO interface (0.3 ML Fe). From the spectral shape it is concluded that an FeO type of oxide is formed. X-ray Magnetic Circular Dichroism (XMCD) measurements exhibit a sizeable induced ferromagnetic signal at the Co L{sub 2,3} absorption edge, corresponding to an interface layer of 1.1 ML in which the magnetic spins couple with the Fe layer. The angular dependence of the X-ray Magnetic Linear Dichroism (XMLD) and X-ray Magnetic Circular Dichroism XMCD at both the Co and Fe L{sub 2,3} edges shows the orientation of the Co and Fe moments in the bilayers with respect to the crystallographic direction. PhotoElectron Emission Microscope (PEEM) is used to image each ferromagnetic and antiferromagnetic layer separately. Magnetic contrast due to the induced magnetic spins at the interface is also

  16. Growth, structural, optical and surface analysis of piperazinium tartrate: A NLO single crystal

    Science.gov (United States)

    Gupta, Apurva; Raseel Rahman M., K.; Nair, Lekha

    2018-05-01

    Single crystal of piperazinium tartrate (PPZT) was grown by the slow evaporation solution growth technique at room temperature. Crystallinity of grown crystal was examined by powder X-ray diffraction. High transparency and wide band gap were observed in the UV-Visible spectroscopic studies. Intense and broad emissions were observed in the blue region, as that is indicated by photoluminescence spectroscopy. The quality of the grown PPZT single crystals were analyzed by the etching studies using the water as the etchant.

  17. Single event upset test structures for digital CMOS application specific integrated circuits

    International Nuclear Information System (INIS)

    Baze, M.P.; Bartholet, W.G.; Braatz, J.C.; Dao, T.A.

    1993-01-01

    An approach has been developed for the design and utilization of SEU test structures for digital CMOS ASICs. This approach minimizes the number of test structures required by categorizing ASIC library cells according to their SEU response and designing a structure to characterize each response for each category. Critical SEU response parameters extracted from these structures are used to evaluate the SEU hardness of ASIC libraries and predict the hardness of ASIC chips

  18. Ferroelectric InMnO{sub 3}: Growth of single crystals, structure and high-temperature phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Bekheet, Maged F., E-mail: maged.bekheet@ceramics.tu-berlin.de [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Fachgebiet Keramische Werkstoffe / Chair of Advanced Ceramic Materials, Institut für Werkstoffwissenschaften und -technologien, Technische Universität Berlin, Hardenbergstraße 40, 10623 Berlin (Germany); Svoboda, Ingrid; Liu, Na [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Bayarjargal, Lkhamsuren [Institut für Geowissenschaften, Goethe-Universität, Altenhöferallee 1, d-60438 Frankfurt a.M. (Germany); Irran, Elisabeth [Institut für Chemie, Technische Universität Berlin, Straße des 17, Juni 135, 10623 Berlin (Germany); Dietz, Christian; Stark, Robert W.; Riedel, Ralf [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Gurlo, Aleksander [Fachgebiet Keramische Werkstoffe / Chair of Advanced Ceramic Materials, Institut für Werkstoffwissenschaften und -technologien, Technische Universität Berlin, Hardenbergstraße 40, 10623 Berlin (Germany)

    2016-09-15

    To understand the origin of the ferroelectricity in InMnO{sub 3}, single crystals with average size of 1 mm were grown in PbF{sub 2} flux at 950 °C. The results of single crystal X-ray diffraction, second harmonic generation and piezoresponse force microscopy studies of high-quality InMnO{sub 3} single crystals reveal that the room-temperature state in this material is ferroelectric with P6{sub 3}cm symmetry. The polar InMnO{sub 3} specimen undergoes a reversible phase transition from non-centrosymmetric P6{sub 3}cm structure to a centrosymmetric P6{sub 3}/mmc structure at 700 °C as confirmed by the in situ high-temperature Raman spectroscopic and synchrotron X-ray diffraction experiments. - Graphical abstract: Piezoresponse fore microscopy (PFM) studies of high quality InMnO{sub 3} single crystal revealed that the room-temperature state of this material is ferroelectric with a clear cloverleaf pattern corresponding to six antiphase ferroelectric domains with alternating polarization ±P{sub z}. Display Omitted - Highlights: • InMnO{sub 3} single crystals with average size of 1 mm were grown in PbF{sub 2} flux at 950 °C. • The room-temperature state of InMnO{sub 3} is ferroelectric with polar P6{sub 3}cm structure. • PolarInMnO{sub 3} reversibly transforms to a centrosymmetric P6{sub 3}/mmc structure above 700 °C.

  19. Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.

    Science.gov (United States)

    Moonens, Kristof; Van den Broeck, Imke; Okello, Emmanuel; Pardon, Els; De Kerpel, Maia; Remaut, Han; De Greve, Henri

    2015-02-24

    Enterotoxigenic Escherichia coli that cause neonatal and post-weaning diarrhea in piglets express F4 fimbriae to mediate attachment towards host receptors. Recently we described how llama single domain antibodies (VHHs) fused to IgA, produced in Arabidopsis thaliana seeds and fed to piglets resulted in a progressive decline in shedding of F4 positive ETEC bacteria. Here we present the structures of these inhibiting VHHs in complex with the major adhesive subunit FaeG. A conserved surface, distant from the lactose binding pocket, is targeted by these VHHs, highlighting the possibility of targeting epitopes on single-domain adhesins that are non-involved in receptor binding.

  20. Conversion of broadband IR radiation and structural disorder in lithium niobate single crystals with low photorefractive effect

    Science.gov (United States)

    Litvinova, Man Nen; Syuy, Alexander V.; Krishtop, Victor V.; Pogodina, Veronika A.; Ponomarchuk, Yulia V.; Sidorov, Nikolay V.; Gabain, Aleksei A.; Palatnikov, Mikhail N.; Litvinov, Vladimir A.

    2016-11-01

    The conversion of broadband IR radiation when the noncritical phase matching condition is fulfilled in lithium niobate (LiNbO3) single crystals with stoichiometric (R = Li/Nb = 1) and congruent (R = 0.946) compositions, as well as in congruent single crystals doped with zinc has been investigated. It is shown that the spectrum parameters of converted radiation, such as the conversion efficiency, spectral width and position of maximum, depend on the ordering degree of structural units of the cation sublattice along the polar axis of crystal.

  1. New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Surdoval, Wayne A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Berry, David A. [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Shultz, Travis R. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2018-03-09

    A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation and its relationship to the new equations are presented.

  2. Clonal diversity and population genetic structure of arbuscular mycorrhizal fungi (Glomus spp.) studied by multilocus genotyping of single spores

    DEFF Research Database (Denmark)

    Holtgrewe-Stukenbrock, Eva; Rosendahl, Søren

    2005-01-01

    A nested multiplex PCR (polymerase chain reaction) approach was used for multilocus genotyping of arbuscular mycorrhizal fungal populations. This method allowed us to amplify multiple loci from Glomus single spores in a single PCR amplification. Variable introns in the two protein coding genes Gm......FOX2 and GmTOR2 were applied as codominant genetic markers together with the LSU rDNA.   Genetic structure of Glomus spp. populations from an organically and a conventionally cultured field were compared by hierarchical sampling of spores from four plots in each field. Multilocus genotypes were...

  3. Optimized design and structural mechanics of a single-piece composite helicopter driveshaft

    Science.gov (United States)

    Henry, Todd C.

    In rotorcraft driveline design, single-piece composite driveshafts have much potential for reducing driveline mass and complexity over multi-segmented metallic driveshafts. The singlepiece shaft concept is enabled by the relatively high fatigue strain capacity of fiber reinforced polymer composites over metals. Challenges for single-piece driveshaft design lie in addressing the self-heating behavior of the composite due to the material damping, as well as, whirling stability, torsional buckling stability, and composite strength. Increased composite temperature due to self-heating reduces the composite strength and is accounted for in this research. The laminate longitudinal stiffness ( Ex) and strength (Fx) are known to be heavily degraded by fiber undulation, however, both are not well understood in compression. The whirling stability (a function of longitudinal stiffness) and the composite strength are strongly influential in driveshaft optimization, and thus are investigated further through the testing of flat and filament wound composite specimens. The design of single-piece composite driveshafts, however, needs to consider many failure criteria, including hysteresis-induced overheating, whirl stability, torsional buckling stability, and material failure by overstress. The present investigation uses multi-objective optimization to investigate the design space which visually highlights design trades. Design variables included stacking sequence, number of laminas, and number of hanger bearings. The design goals were to minimize weight and maximize the lowest factor of safety by adaptively generating solutions to the multi-objective problem. Several design spaces were investigated by examining the effect of misalignment, ambient temperature, and constant power transmission on the optimized solution. Several materials of interest were modeled using experimentally determined elastic properties and novel temperature-dependent composite strength. Compared to the

  4. Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

    Science.gov (United States)

    Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

    2017-07-01

    Recently, single-layer group III monochalcogenides have attracted both theoretical and experimental interest at their potential applications in photonic devices, electronic devices, and solar energy conversion. Excited by this, we theoretically design two kinds of highly stable single-layer group IV-V (IV =Si ,Ge , and Sn; V =N and P) and group V-IV-III-VI (IV =Si ,Ge , and Sn; V =N and P; III =Al ,Ga , and In; VI =O and S) compounds with the same structures with single-layer group III monochalcogenides via first-principles simulations. By using accurate hybrid functional and quasiparticle methods, we show the single-layer group IV-V and group V-IV-III-VI are indirect bandgap semiconductors with their bandgaps and band edge positions conforming to the criteria of photocatalysts for water splitting. By applying a biaxial strain on single-layer group IV-V, single-layer group IV nitrides show a potential on mechanical sensors due to their bandgaps showing an almost linear response for strain. Furthermore, our calculations show that both single-layer group IV-V and group V-IV-III-VI have absorption from the visible light region to far-ultraviolet region, especially for single-layer SiN-AlO and SnN-InO, which have strong absorption in the visible light region, resulting in excellent potential for solar energy conversion and visible light photocatalytic water splitting. Our research provides valuable insight for finding more potential functional two-dimensional semiconductors applied in optoelectronics, solar energy conversion, and photocatalytic water splitting.

  5. Mothering Experiences: How Single Parenthood and Employment Structure the Emotional Valence of Parenting.

    Science.gov (United States)

    Meier, Ann; Musick, Kelly; Flood, Sarah; Dunifon, Rachel

    2016-06-01

    Research studies and popular accounts of parenting have documented the joys and strains of raising children. Much of the literature comparing parents with those without children indicates a happiness advantage for those without children, although recent studies have unpacked this general advantage to reveal differences by the dimension of well-being considered and important features in parents' lives and parenting experiences. We use unique data from the 2010, 2012, and 2013 American Time Use Survey to understand emotions in mothering experiences and how these vary by key demographic factors: employment and partnership status. Assessing mothers' emotions in a broad set of parenting activities while controlling for a rich set of person- and activity-level factors, we find that mothering experiences are generally associated with high levels of emotional well-being, although single parenthood is associated with differences in the emotional valence. Single mothers report less happiness and more sadness, stress, and fatigue in parenting than partnered mothers, and these reports are concentrated among those single mothers who are not employed. Employed single mothers are happier and less sad and stressed when parenting than single mothers who are not employed. Contrary to common assumptions about maternal employment, we find overall few negative associations between employment and mothers' feelings regarding time with children, with the exception that employed mothers report more fatigue in parenting than those who are not employed.

  6. Growth Aspects, Structural and Optical Properties of 2-aminopyridinium 2,4 Dinitrophenolate Single Crystal

    Directory of Open Access Journals (Sweden)

    S. Reena Devi

    2017-06-01

    Full Text Available Organic single crystal of 2-aminopyridinium 2,4-dinitrophenolate single crystal was grown by slow evaporation technique. The cell parameters and space group (P were determined from single X-ray diffraction analysis. HRXRD studies ascertained the crystalline quality. UV-Visible and PL spectral studies revealed the emission in red region, transparency (75% cutoff wavelength around 440 nm respectively. The laser damage threshold of grown crystal was estimated by using Nd:YAG laser beam and these results were mutually related with specific heat capacity of the grown crystal. The third-order nonlinear optical parameters were estimated by Z-scan technique which is useful for optical applications.

  7. The relationship between elastic constants and structure of shock waves in a zinc single crystal

    Science.gov (United States)

    Krivosheina, M. N.; Kobenko, S. V.; Tuch, E. V.

    2017-12-01

    The paper provides a 3D finite element simulation of shock-loaded anisotropic single crystals on the example of a Zn plate under impact using a mathematical model, which allows for anisotropy in hydrostatic stress and wave velocities in elastic and plastic ranges. The simulation results agree with experimental data, showing the absence of shock wave splitting into an elastic precursor and a plastic wave in Zn single crystals impacted in the [0001] direction. It is assumed that the absence of an elastic precursor under impact loading of a zinc single crystal along the [0001] direction is determined by the anomalously large ratio of the c/a-axes and close values of the propagation velocities of longitudinal and bulk elastic waves. It is shown that an increase in only one elastic constant along the [0001] direction results in shock wave splitting into an elastic precursor and a shock wave of "plastic" compression.

  8. Fluctuation in Interface and Electronic Structure of Single-Molecule Junctions Investigated by Current versus Bias Voltage Characteristics.

    Science.gov (United States)

    Isshiki, Yuji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

    2018-03-14

    Structural and electronic detail at the metal-molecule interface has a significant impact on the charge transport across the molecular junctions, but its precise understanding and control still remain elusive. On the single-molecule scale, the metal-molecule interface structures and relevant charge transport properties are subject to fluctuation, which contain the fundamental science of single-molecule transport and implication for manipulability of the transport properties in electronic devices. Here, we present a comprehensive approach to investigate the fluctuation in the metal-molecule interface in single-molecule junctions, based on current-voltage ( I- V) measurements in combination with first-principles simulation. Contrary to conventional molecular conductance studies, this I- V approach provides a correlated statistical description of both the degree of electronic coupling across the metal-molecule interface and the molecular orbital energy level. This statistical approach was employed to study fluctuation in single-molecule junctions of 1,4-butanediamine (DAB), pyrazine (PY), 4,4'-bipyridine (BPY), and fullerene (C 60 ). We demonstrate that molecular-dependent fluctuation of σ-, π-, and π-plane-type interfaces can be captured by analyzing the molecular orbital (MO) energy level under mechanical perturbation. While the MO level of DAB with the σ-type interface shows weak distance dependence and fluctuation, the MO level of PY, BPY, and C 60 features unique distance dependence and molecular-dependent fluctuation against the mechanical perturbation. The MO level of PY and BPY with the σ+π-type interface increases with the increase in the stretch distance. In contrast, the MO level of C 60 with the π-plane-type interface decreases with the increase in the stretching perturbation. This study provides an approach to resolve the structural and electronic fluctuation in the single-molecule junctions and insight into the molecular-dependent fluctuation in

  9. A Procedure for Structural Weight Estimation of Single Stage to Orbit Launch Vehicles (Interim User's Manual)

    Science.gov (United States)

    Martinovic, Zoran N.; Cerro, Jeffrey A.

    2002-01-01

    This is an interim user's manual for current procedures used in the Vehicle Analysis Branch at NASA Langley Research Center, Hampton, Virginia, for launch vehicle structural subsystem weight estimation based on finite element modeling and structural analysis. The process is intended to complement traditional methods of conceptual and early preliminary structural design such as the application of empirical weight estimation or application of classical engineering design equations and criteria on one dimensional "line" models. Functions of two commercially available software codes are coupled together. Vehicle modeling and analysis are done using SDRC/I-DEAS, and structural sizing is performed with the Collier Research Corp. HyperSizer program.

  10. Rtools: a web server for various secondary structural analyses on single RNA sequences.

    Science.gov (United States)

    Hamada, Michiaki; Ono, Yukiteru; Kiryu, Hisanori; Sato, Kengo; Kato, Yuki; Fukunaga, Tsukasa; Mori, Ryota; Asai, Kiyoshi

    2016-07-08

    The secondary structures, as well as the nucleotide sequences, are the important features of RNA molecules to characterize their functions. According to the thermodynamic model, however, the probability of any secondary structure is very small. As a consequence, any tool to predict the secondary structures of RNAs has limited accuracy. On the other hand, there are a few tools to compensate the imperfect predictions by calculating and visualizing the secondary structural information from RNA sequences. It is desirable to obtain the rich information from those tools through a friendly interface. We implemented a web server of the tools to predict secondary structures and to calculate various structural features based on the energy models of secondary structures. By just giving an RNA sequence to the web server, the user can get the different types of solutions of the secondary structures, the marginal probabilities such as base-paring probabilities, loop probabilities and accessibilities of the local bases, the energy changes by arbitrary base mutations as well as the measures for validations of the predicted secondary structures. The web server is available at http://rtools.cbrc.jp, which integrates software tools, CentroidFold, CentroidHomfold, IPKnot, CapR, Raccess, Rchange and RintD. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  11. Single crystal structures of the new vanadates CuMgVO{sub 4} and AgMgVO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Ben Yahia, Hamdi, E-mail: Hyahia@qf.org.qa [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar); Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Essehli, Rachid; Belharouak, Ilias [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar)

    2016-08-01

    The new compounds CuMgVO{sub 4} and AgMgVO{sub 4} have been synthesized by a solid state reaction route. Their crystal structures were determined from single-crystal X-ray diffraction data. CuMgVO{sub 4} crystallizes with Na{sub 2}CrO{sub 4}-type structure with space group Cmcm, a = 5.6932 (10), b = 8.7055 (15), c = 6.2789 (10) Å, V = 311.20 (9) Å{sup 3}, and Z = 4, whereas AgMgVO{sub 4} crystallizes in the maricite-type structure with space group Pnma, a = 9.4286 (14), b = 6.7465 (10), c = 5.3360 (8) Å, V = 339.42 (9) Å{sup 3}, and Z = 4. Both structures of CuMgVO{sub 4}, and AgMgVO{sub 4} contain MgO{sub 4} chains made up of edge-sharing MgO{sub 6} octahedra. In CuMgVO{sub 4} the MgO{sub 4} chains are interconnected through CuVO{sub 4} double chains made up of VO{sub 4} and CuO{sub 4} tetrahedra sharing corners and edges, however in AgMgVO{sub 4} the chains are interlinked by the VO{sub 4} and AgO{sub 4} tetrahedra sharing only corners. - Highlights: • We have been able to grow CuMgVO{sub 4} and AgMgVO{sub 4} single crystals. • We solved their crystal structures using single crystal data. • We compared the crystal structures of CuMgVO{sub 4} and AgMgVO{sub 4}.

  12. Modulating the single-molecule magnet behaviour in phenoxo-O bridged Dy2 systems via subtle structural variations

    Science.gov (United States)

    Wang, Wen-Min; Zhao, Xiao-Yu; Qiao, Hui; Bai, Li; Han, Hong-Fei; Fang, Ming; Wu, Zhi-Lei; Zou, Ji-Yong

    2017-09-01

    In search of simple approaches to rationally modulate the single-molecule magnet behaviour in polynuclear lanthanide compound, a new system containing two structurally closely related dinuclear dysprosium complexes, namely [Dy2(hfac)4L2] (1) and [Dy2(hfac)4L‧2] (2) (hfac = hexafluoroacetylacetonate, HL = 2-[4-methylaniline-imino]methyl]-8-hydroxyquinoline and HL' = 2-[(3,4-dimethylaniline)-imino]methyl]-8-hydroxyquinoline), are successfully synthesized and the structure-dependent magnetic properties are investigated. The two Dy2 compounds display only slight variations in the coordination geometries of the center Dy(III) ion but display remarkably different single-molecule magnet behaviors with the anisotropic barriers (ΔE/kB) of 9.91 K for 1 and 20.57 K for 2. The different magnetic relaxation behaviors of the two Dy2 complexes mainly originate from the different chemical environments of the central DyIII ions.

  13. Single-fluorophore monitoring of DNA hybridization for investigating the effect of secondary structure on the nucleation step.

    Science.gov (United States)

    Jo, Joon-Jung; Kim, Min-Ji; Son, Jung-Tae; Kim, Jandi; Shin, Jong-Shik

    2009-07-17

    Nucleic acid hybridization is one of the essential biological processes involved in storage and transmission of genetic information. Here we quantitatively determined the effect of secondary structure on the hybridization activation energy using structurally defined oligonucleotides. It turned out that activation energy is linearly proportional to the length of a single-stranded region flanking a nucleation site, generating a 0.18 kcal/mol energy barrier per nucleotide. Based on this result, we propose that the presence of single-stranded segments available for non-productive base pairing with a nucleation counterpart extends the searching process for nucleation sites to find a perfect match. This result may provide insights into rational selection of a target mRNA site for siRNA and antisense gene silencing.

  14. Single-crystal structure refinement of YbF{sub 2} with a remark about YbH{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Dept. of Chemistry and Chemical Biology

    2017-07-01

    Transparent-yellow single crystals of YbF{sub 2} were obtained as only crystalline product from the solid-state reaction of Yb and teflon designed to yield 'Yb{sub 3}C{sub 3}F{sub 2}' in addition to some amorphous black material. The first single-crystal structure determination of YbF{sub 2} (cubic space group Fm anti 3m, CaF{sub 2}-type structure, a = 559.46(16) pm; R1 = 1.2%, wR2 = 3.2%) was the starting point to compare isostructural binary fluorides MF{sub 2} and hydrides MH{sub 2} (M = Ca, Yb, Eu, Sr and Ba) exhibiting an as-yet unexplained small volume per formula unit for YbH{sub 2}.

  15. On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination

    International Nuclear Information System (INIS)

    Panjikar, Santosh; Parthasarathy, Venkataraman; Lamzin, Victor S.; Weiss, Manfred S.; Tucker, Paul A.

    2009-01-01

    The combination of molecular replacement and single-wavelength anomalous diffraction improves the performance of automated structure determination with Auto-Rickshaw. A combination of molecular replacement and single-wavelength anomalous diffraction phasing has been incorporated into the automated structure-determination platform Auto-Rickshaw. The complete MRSAD procedure includes molecular replacement, model refinement, experimental phasing, phase improvement and automated model building. The improvement over the standard SAD or MR approaches is illustrated by ten test cases taken from the JCSG diffraction data-set database. Poor MR or SAD phases with phase errors larger than 70° can be improved using the described procedure and a large fraction of the model can be determined in a purely automatic manner from X-ray data extending to better than 2.6 Å resolution

  16. Improving accuracy of overhanging structures for selective laser melting through reliability characterization of single track formation on thick powder beds

    DEFF Research Database (Denmark)

    Mohanty, Sankhya; Hattel, Jesper Henri

    2016-01-01

    Repeatability and reproducibility of parts produced by selective laser melting is a standing issue, and coupled with a lack of standardized quality control presents a major hindrance towards maturing of selective laser melting as an industrial scale process. Consequently, numerical process...... modelling has been adopted towards improving the predictability of the outputs from the selective laser melting process. Establishing the reliability of the process, however, is still a challenge, especially in components having overhanging structures.In this paper, a systematic approach towards...... establishing reliability of overhanging structure production by selective laser melting has been adopted. A calibrated, fast, multiscale thermal model is used to simulate the single track formation on a thick powder bed. Single tracks are manufactured on a thick powder bed using same processing parameters...

  17. Critical current, pinning and resistive state of superconducting single-crystal niobium with different types of defect structure

    International Nuclear Information System (INIS)

    Sokolenko, V.I.; Starodubov, Ya.D.

    2005-01-01

    Critical current pinning and resistive state of single crystal niobium of texture orientation are studied for different structural states obtained by rolling at 20 K by 42% and polishing the surface layers. It is found that the heterogeneous structures typical of the strained sample even after its thinning down to approx 10% display a lower current-carrying capability due to an increase of the thermomagnetic instability within the fragmented structure sections in the near-surface layers. For a homogeneous defect structure of the sample core with the density of equilibrium distributed dislocations of 1.3 centre dot 10 11 cm -2 , a correlation between the normal current density and the critical current density in the resistive state is found, in agreement with the concepts of flux creep due to the scatter of local values of J c

  18. Structure of NiCrAlY coatings deposited on single-crystal alloy turbine blade material by laser cladding

    International Nuclear Information System (INIS)

    Vilar, R.; Santos, E.C.; Ferreira, P.N.; Franco, N.; Silva, R.C. da

    2009-01-01

    In the present work single and multiple layer NiCrAlY coatings were produced by laser cladding on (100) single-crystalline substrates of SRR99 Ni-based superalloy. Detailed structural characterisation and texture analysis by optical microscopy, scanning electron microscopy, X-ray diffraction and Rutherford backscattering showed that the NiCrAlY coatings consisted essentially of γ phase with yttrium oxide (Y 2 O 3 ) and a small proportion of yttrium-aluminum garnet (Al 5 Y 3 O 12 ) precipitated in the interdendritic regions. The coatings presented a columnar dendritic structure grown by epitaxial solidification on the substrate and inherited the single-crystalline nature and the orientation of the substrate. The coating material also showed a mosaicity and a defect density similar to those of the substrate. It can be expected that the protective effect of these coatings against oxidation is greatly enhanced compared with polycrystalline coatings because high diffusivity paths, such as grain boundaries, are eliminated in single-crystalline coatings, thus reducing mass transport through the coating.

  19. Controlling Structural Characteristics of Single-Walled Carbon Nanotubes (SWNT) by Tailoring Catalyst Composition and Synthesis Conditions

    International Nuclear Information System (INIS)

    Resasco, Daniel E.

    2010-01-01

    This report shows the extensive research on the mechanism responsible for the formation of single walled carbon nanotubes in order to get control over their structural parameters (diameter and chirality). Catalyst formulations, pre-treatment conditions, and reaction conditions are described in detail as well as mechanisms to produce nanotubes structures of specific arrays (vertical forest, nanotube pillars). Applications of SWNT in different fields are also described in this report. In relation to this project five students have graduated (3 PhD and 2 MS) and 35 papers have been published.

  20. Investigation of the single Particle Structure of the neutron-rich Sodium Isotopes $^{27-31}\\!$Na

    CERN Document Server

    2002-01-01

    We propose to study the single particle structure of the neutron-rich isotopes $^{27-31}\\!$Na. These isotopes will be investigated via neutron pickup reactions in inverse kinematics on a deuterium and a beryllium target. Scattered beam particles and transfer products are detected in a position sensitive detector located around 0$^\\circ$. De-excitation $\\gamma$-rays emitted after an excited state has been populated will be registered by the MINIBALL Germanium array. The results will shed new light on the structure of the neutron-rich sodium isotopes and especially on the region of strong deformation around the N=20 nucleus $^{31}\\!$Na.

  1. Defect structure of TiS{sub 3} single crystals of the A-ZrSe{sub 3} type

    Energy Technology Data Exchange (ETDEWEB)

    Bolotina, N. B., E-mail: nb-bolotina@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Gorlova, I. G. [Russian Academy of Sciences, Kotel’nikov Institute of Radioengineering and Electronics (Russian Federation); Verin, I. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Titov, A. N. [Russian Academy of Sciences, Mikheev Institute of Metal Physics, Ural Branch (Russian Federation); Arakcheeva, A. V. [Phase Solutions, Co Ltd. (Switzerland)

    2016-11-15

    The defect structure of TiS{sub 3} single crystals of the A-ZrSe{sub 3} type has been determined based on X-ray diffraction data. Shear defects manifest themselves as displacements of ab layers (which can imitate a twin) by ∼0.5a. Regular shears facilitate the formation of a superstructure along the c axis. A model of defect in the layer structure is proposed to explain the atomic displacements at an angle to the layer plane.

  2. Structural characterization of metastable hcp-Ni thin films epitaxially grown on Au(100) single-crystal underlayers

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Tanaka, Takahiro; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    Ni(1120) epitaxial thin films with hcp structure were prepared on Au(100) single-crystal underlayers at 100 deg. C by ultra high vacuum molecular beam epitaxy. The detailed film structure is studied by in situ reflection high energy electron diffraction, x-ray diffraction, and transmission electron microscopy. The hcp-Ni film consists of two types of variants whose c-axes are rotated around the film normal by 90 deg. each other. An atomically sharp boundary is recognized between the film and the underlayer, where misfit dislocations are introduced. Presence of such dislocations seems to relieve the strain caused by the lattice mismatch between the film and the underlayer.

  3. Synchrotron Topographic and Diffractometer Studies of Buried Layered Structures Obtained by Implantation with Swift Heavy Ions in Silicon Single Crystals

    International Nuclear Information System (INIS)

    Wierzchowski, W.; Wieteska, K.; Zymierska, D.; Graeff, W.; Czosnyka, T.; Choinski, J.

    2006-01-01

    A distribution of crystallographic defects and deformation in silicon crystals subjected to deep implantation (20-50 μm) with ions of the energy of a few MeV/amu is studied. Three different buried layered structures (single layer, binary buried structure and triple buried structure) were obtained by implantation of silicon single crystals with 184 MeV argon ions, 29.7 MeV boron ions, and 140 MeV argon ions, each implantation at a fluency of 1x10 14 ions cm -2 . The implanted samples were examined by means of white beam X-ray section and projection topography, monochromatic beam topography and by recording local rocking curves with the beam restricted to 50 x 50 μm 2 . The experiment pointed to a very low level of implantation-induced strain (below 10 -5 ). The white beam Bragg case section experiment revealed a layer producing district black contrast located at a depth of the expected mean ion range. The presence of these buried layered structures in studied silicon crystals strongly affected the fringe pattern caused by curvature of the samples. In case of white beam projection and monochromatic beam topographs the implanted areas were revealed as darker regions with a very tiny grain like structure. One may interpret these results as the effect of considerable heating causing annihilation of point defects and formation of dislocation loops connected with point defect clusters. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-01-15

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

  5. Synthesis of NaCl Single Crystals with Defined Morphologies as Templates for Fabricating Hollow Nano/micro-structures

    DEFF Research Database (Denmark)

    Wang, B.B.; Jin, P.; Yue, Yuanzheng

    2015-01-01

    . These naturally abundant NaCl single crystal templates are water-soluble, environmentally-friendly and uniform in both geometry and size, and hence are ideal for preparing high quality hollow nano/micro structures. The new approach may have the potential to replace the conventional hard or soft template...... approaches. Furthermore, this work has revealed the formation mechanism of nano/micron NaCl crystals with different sizes and geometries....

  6. The effect of fibronectin on structural and biological properties of single walled carbon nanotube

    Energy Technology Data Exchange (ETDEWEB)

    Mottaghitalab, Fatemeh [Department of Nanobiotechnology, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Farokhi, Mehdi [National cell bank of Iran, Pasteur Institute, Tehran (Iran, Islamic Republic of); Atyabi, Fatemeh [Department of Pharmaceutical Nanoechnology, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Omidvar, Ramin [Department of Biomedical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Tehran (Iran, Islamic Republic of); Shokrgozar, Mohammad Ali, E-mail: mashokrgozar@pasteur.ac.ir [National cell bank of Iran, Pasteur Institute, Tehran (Iran, Islamic Republic of); Sadeghizadeh, Majid, E-mail: sadeghma@modares.ac.ir [Department Genetics, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of)

    2015-06-01

    Highlights: • Increasing the cytocompatibility of single walled carbon nanotube by loading fibronectin. • Enhancing the hydrophilicity and nanosurface roughness of single walled carbon nanotube after loading fibronectin. • Fibronectin makes the surface properties of single walled carbon nanotube more suitable for cell proliferation and growth. - Abstract: Despite the attractive properties of carbon nanotubes (CNTs), cytoxicity and hydrophobicity are two main considerable features which limit their application in biomedical fields. It was well established that treating CNTs with extracellular matrix components could reduce these unfavourable characteristics. In an attempt to address these issues, fibronectin (FN) with different concentrations was loaded on single walled carbon nanotubes (SWCNTs) substrate. Scanning electron microscope, atomic force microscopy (AFM), contact angles and X-ray photoelectron spectroscopy (XPS) were preformed in order to characterize FN loaded SWCNTs substrates. According to XPS and AFM results, FN could interact with SWCNTs and for this, the hydrophilicity of SWCNTs was improved. Additionally, SWCNT modified with FN showed less cytotoxicity compared with neat SWCNT. Finally, FN was shown to act as an interesting extracellular component for enhancing the biological properties of SWCNT.

  7. The effect of fibronectin on structural and biological properties of single walled carbon nanotube

    International Nuclear Information System (INIS)

    Mottaghitalab, Fatemeh; Farokhi, Mehdi; Atyabi, Fatemeh; Omidvar, Ramin; Shokrgozar, Mohammad Ali; Sadeghizadeh, Majid

    2015-01-01

    Highlights: • Increasing the cytocompatibility of single walled carbon nanotube by loading fibronectin. • Enhancing the hydrophilicity and nanosurface roughness of single walled carbon nanotube after loading fibronectin. • Fibronectin makes the surface properties of single walled carbon nanotube more suitable for cell proliferation and growth. - Abstract: Despite the attractive properties of carbon nanotubes (CNTs), cytoxicity and hydrophobicity are two main considerable features which limit their application in biomedical fields. It was well established that treating CNTs with extracellular matrix components could reduce these unfavourable characteristics. In an attempt to address these issues, fibronectin (FN) with different concentrations was loaded on single walled carbon nanotubes (SWCNTs) substrate. Scanning electron microscope, atomic force microscopy (AFM), contact angles and X-ray photoelectron spectroscopy (XPS) were preformed in order to characterize FN loaded SWCNTs substrates. According to XPS and AFM results, FN could interact with SWCNTs and for this, the hydrophilicity of SWCNTs was improved. Additionally, SWCNT modified with FN showed less cytotoxicity compared with neat SWCNT. Finally, FN was shown to act as an interesting extracellular component for enhancing the biological properties of SWCNT

  8. Shedding light on protein folding, structural and functional dynamics by single molecule studies

    DEFF Research Database (Denmark)

    Bavishi, Krutika; Hatzakis, Nikos

    2014-01-01

    property of a population, single molecule measurements offer observation and quantification of the abundance, lifetime and function of multiple protein states. They also permit the direct observation of the transient and rarely populated intermediates in the energy landscape that are typically averaged out...

  9. Polycrystal deformation and single crystal deformation: Dislocation structure and flow stress in copper

    DEFF Research Database (Denmark)

    Huang, X.; Borrego, A.; Pantleon, W.

    2001-01-01

    of microstructures have been identified. A correlation is found between microstructure and grain orientation, which agrees well with earlier observations in tensile deformed aluminum polycrystals and copper single crystals. The stress–strain curve of the copper polycrystal is calculated with good accuracy from...

  10. One-step synthesis of mesoporous pentasil zeolite with single-unit-cell lamellar structural features

    Science.gov (United States)

    Tsapstsis, Michael; Zhang, Xueyi

    2015-11-17

    A method for making a pentasil zeolite material includes forming an aqueous solution that includes a structure directing agent and a silica precursor; and heating the solution at a sufficient temperature and for sufficient time to form a pentasil zeolite material from the silica precursor, wherein the structure directing agent includes a quaternary phosphonium ion.

  11. Structural changes in single chromatin fibers induced by tension and torsion

    NARCIS (Netherlands)

    Meng, He

    2014-01-01

    Since the discovery of the right-handed helical structure of DNA, 61 years have passed. The DNA molecule, which encodes genetic information, is also found twisted into coils. This extra twist of the helical structure, called supercoiling, plays important roles in both DNA compaction and gene

  12. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Nagapandiselvi, P., E-mail: nagapandiselvip@ssn.edu.in [Department of Physics, SSN College of Engineering, Kalavakkam (India); Baby, C. [Sophisticated Analytical Instrument Facility, Indian Institute of Technology Madras, Chennai (India); Gopalakrishnan, R. [Crystal Research Lab, Department of Physics, Anna University, Chennai (India)

    2016-09-15

    Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.

  13. Single Parent Family Structure as a Predictor of Alcohol Use among Secondary School Students: Evidence from Jamaica

    Science.gov (United States)

    Oshi, Sarah N; Abel, Wendel D; Agu, Chinwendu F; Omeje, Joachim C; Smith, Patrice Whitehorne; Ukwaja, Kingsley N; Ricketts Roomes, Tana; Meka, Ijeoma A; Weaver, Steve; Rae, Tania; Oshi, Daniel C

    2018-04-23

    The aim of this study was to examine the potential relationship between Jamaican secondary students’ alcohol drinking habits and their family structure. Methods: Data collected from a nationally representative survey of 3,365 students were analysed. Descriptive and inferential statistics were performed. Results: Out of the 3,365 students, 1,044 (31.0%) were from single-parent families. Single-parent families, married-parent families and common law-parent families were significantly associated with lifetime use of alcohol (AOR= 1.72, 95% CI= 1.06 - 2.79; AOR= 1.73, 95% CI= 1.07- 2.81, AOR= 1.94, 95%CI= 1.17- 3.21 respectively). However, family structure was not significantly associated with past year and past month alcohol use. Students whose parents “sometimes” knew their whereabouts were significantly less likely to use alcohol in their lifetime compared to students whose parents “Always” knew where the students were. Conclusion: Family structure is an independent predictor of alcohol use among high school students in Jamaica. Being from single-parent families, married-parent and common- law parent families were significantly associated with increased likelihood for lifetime alcohol use. Creative Commons Attribution License

  14. Transverse Resonant Vibration of Non-Bearing Structures Caused by Wind

    Science.gov (United States)

    Jendzelovsky, Norbert; Antal, Roland

    2017-10-01

    Nowadays, there are increasing use of very thin, subtle and light structures in the field of building constructions. We can find such a structures as part of roofs or design facades. By using these lamellas like, non-bearing structures as a part of architectural design of buildings, it is necessary to consider wind effects on these structures. Subtle structures of this type are prone to vibration in the transverse direction of the wind flow. The fact that the vibration occurs depends on wind parameters (wind velocity, direction of an air flow) and it also depends on the properties of lamella (shape, length, mass, natural frequency, support type). The principal idea of this article is to show susceptibility of lamellae-like structures to transverse resonant vibration caused by the phenomenon called Von Karman effect. Comparison of susceptibility to transverse resonance vibration was analysed on the different shapes of lamellas loaded by different wind speed. Analysis was based on usage of empirically derived equations. Von Karman effect arise from wind flow past an object. Turbulence in the form of vortices are formed at the object and shed into the flowing stream intermittently. The potential problem is that this turbulence can induce vibrations into the lamella itself. In terms of this vibration problem, two frequencies are interesting. Von Karman shedding frequency is the frequency at which the vortices are formed and shed at the object. The vortex-shedding frequency increases with the velocity of the wind flow and decreases with the size of the object. Natural frequency of the object depends on the construction of the lamella itself. Parameters of lamella as a shape, mass, length, elasticity modulus of material and support types are directly involved in the calculation of natural frequency. Worst case scenario in the term of transverse resonant vibration occurs when the natural frequency of lamella is equal to the vortex-shedding frequency. In this case

  15. Crystal structure analysis, overexpression and refolding behaviour of a DING protein with single mutation

    International Nuclear Information System (INIS)

    Gai, Zuoqi; Nakamura, Akiyoshi; Tanaka, Yoshikazu; Hirano, Nagisa; Tanaka, Isao; Yao, Min

    2013-01-01

    Crystals of a member of the DING protein family (HPBP) were obtained accidentally, and the structure was determined at 1.35 Å resolution. For further analysis, a system for preparation of HPBP was constructed and the structure of a prepared sample was confirmed by X-ray crystal structure analysis at 1.03 Å resolution. After crystallization of a certain protein–RNA complex, well diffracting crystals were obtained. However, the asymmetric unit of the crystal was too small to locate any components. Mass spectrometry and X-ray crystal structure analysis showed that it was a member of the DING protein family (HPBP). Surprisingly, the structure of HPBP reported previously was also determined accidentally as a contaminant, suggesting that HPBP has a strong tendency to crystallize. Furthermore, DING proteins were reported to relate in disease. These observations suggest that DING has potential for application in a wide range of research fields. To enable further analyses, a system for preparation of HPBP was constructed. As HPBP was expressed in insoluble form in Escherichia coli, it was unfolded chemically and refolded. Finally, a very high yield preparation method was constructed, in which 43 mg of HPBP was obtained from 1 L of culture. Furthermore, to evaluate the validity of refolding, its crystal structure was determined at 1.03 Å resolution. The determined structure was identical to the native structure, in which two disulfide bonds were recovered correctly and a phosphate ion was captured. Based on these results, it was concluded that the refolded HPBP recovers its structure correctly

  16. Crystal structure analysis, overexpression and refolding behaviour of a DING protein with single mutation

    Energy Technology Data Exchange (ETDEWEB)

    Gai, Zuoqi; Nakamura, Akiyoshi [Hokkaido University, Sapporo 060-0810 (Japan); Tanaka, Yoshikazu, E-mail: tanaka@sci.hokudai.ac.jp [Hokkaido University, Sapporo 060-0810 (Japan); Hokkaido University, Sapporo 060-0810 (Japan); Hirano, Nagisa [Hokkaido University, Sapporo 060-0810 (Japan); Tanaka, Isao; Yao, Min [Hokkaido University, Sapporo 060-0810 (Japan); Hokkaido University, Sapporo 060-0810 (Japan)

    2013-11-01

    Crystals of a member of the DING protein family (HPBP) were obtained accidentally, and the structure was determined at 1.35 Å resolution. For further analysis, a system for preparation of HPBP was constructed and the structure of a prepared sample was confirmed by X-ray crystal structure analysis at 1.03 Å resolution. After crystallization of a certain protein–RNA complex, well diffracting crystals were obtained. However, the asymmetric unit of the crystal was too small to locate any components. Mass spectrometry and X-ray crystal structure analysis showed that it was a member of the DING protein family (HPBP). Surprisingly, the structure of HPBP reported previously was also determined accidentally as a contaminant, suggesting that HPBP has a strong tendency to crystallize. Furthermore, DING proteins were reported to relate in disease. These observations suggest that DING has potential for application in a wide range of research fields. To enable further analyses, a system for preparation of HPBP was constructed. As HPBP was expressed in insoluble form in Escherichia coli, it was unfolded chemically and refolded. Finally, a very high yield preparation method was constructed, in which 43 mg of HPBP was obtained from 1 L of culture. Furthermore, to evaluate the validity of refolding, its crystal structure was determined at 1.03 Å resolution. The determined structure was identical to the native structure, in which two disulfide bonds were recovered correctly and a phosphate ion was captured. Based on these results, it was concluded that the refolded HPBP recovers its structure correctly.

  17. Structural features of single-stranded integron cassette attC sites and their role in strand selection.

    Directory of Open Access Journals (Sweden)

    Marie Bouvier

    2009-09-01

    Full Text Available We recently showed that cassette integration and deletion in integron platforms were occurring through unconventional site-specific recombination reactions involving only the bottom strand of attC sites. The lack of sequence conservation among attC sites led us to hypothesize that sequence-independent structural recognition determinants must exist within attC sites. The structural data obtained from a synaptic complex of the Vibrio cholerae integrase with the bottom strand of an attC site has shown the importance of extra helical bases (EHB inside the stem-loop structure formed from the bottom strand. Here, we systematically determined the contribution of three structural elements common to all known single-stranded attC site recombination substrates (the EHBs, the unpaired central spacer (UCS, and the variable terminal structure (VTS to strand choice and recombination. Their roles have been evaluated in vivo in the attIxattC reaction context using the suicide conjugation assay we previously developed, but also in an attCxattC reaction using a deletion assay. Conjugation was used to deliver the attC sites in single-stranded form. Our results show that strand choice is primarily directed by the first EHB, but the presence of the two other EHBs also serves to increase this strand selection. We found that the structure of the central spacer is essential to achieve high level recombination of the bottom strand, suggesting a dual role for this structure in active site exclusion and for hindering the reverse reaction after the first strand exchange. Moreover, we have shown that the VTS has apparently no role in strand selectivity.

  18. Structural Characterization of Doped GaSb Single Crystals by X-ray Topography

    Energy Technology Data Exchange (ETDEWEB)

    Honnicke, M.G.; Mazzaro, I.; Manica, J.; Benine, E.; M da Costa, E.; Dedavid, B. A.; Cusatis, C.; Huang, X. R.

    2009-09-13

    We characterized GaSb single crystals containing different dopants (Al, Cd and Te), grown by the Czochralski method, by x-ray topography and high angular resolution x-ray diffraction. Lang topography revealed dislocations parallel and perpendicular to the crystal's surface. Double-crystal GaSb 333 x-ray topography shows dislocations and vertical stripes than can be associated with circular growth bands. We compared our high-angular resolution x-ray diffraction measurements (rocking curves) with the findings predicted by the dynamical theory of x-ray diffraction. These measurements show that our GaSb single crystals have a relative variation in the lattice parameter ({Delta}d/d) on the order of 10{sup -5}. This means that they can be used as electronic devices (detectors, for example) and as x-ray monochromators.

  19. Study of a steel strand tension sensor with difference single bypass excitation structure based on the magneto-elastic effect

    International Nuclear Information System (INIS)

    Tang Dedong; Huang Shanglian; Chen Weimin; Jiang Jianshan

    2008-01-01

    With many steel strands used in various important machines and architectural structures, health monitoring of strand tension becomes more and more important to ensure the equipment or structures' safety. Contrasted with the method of vibration frequency and strain gages, the method of measuring the steel strand tension based on the magneto-elastic effect is more capable of meeting the requirements of health monitoring. Yet the structure of the sensor is mainly a sleeve structure, and the steel strand to be measured serves as the core of primary and secondary solenoids. This structure is very difficult to fix and maintain. On the other hand, a change of temperature will strongly affect measurement results, and experiments prove that temperature error compensation by using a temperature compensation curve is not effective enough. Therefore in this paper the principle of a cable tension sensor based on the magneto-elastic effect is expounded, the theory of temperature influence is explored, a difference structure by single bypass excitation is devised, its magnetic loop is analyzed, an experiment is designed, and experiments on temperature compensation and pulling tension are carried out. The experiment results indicated that the structure of the sensor is feasible, temperature errors can be compensated for automatically, after which temperature errors become less than 0.012 MPa °C −1 , and repeating errors of tension are less than 0.15%, which meet the measurement requirements

  20. Electronic structure of single crystalline Bi2(Sr,Ca,La)3Cu2O8

    International Nuclear Information System (INIS)

    Lindberg, P.A.P.; Shen, Z.X.; Dessau, D.S.; Wells, B.O.; Borg, A.; Mitzi, D.B.; Lindau, I.; Spicer, W.E.; Kapitulnik, A.

    1989-01-01

    Angle-resolved photoemission experiments on single crystals of Bi 2 (Sr,Ca,La) 3 Cu 2 O 8 are reported. The data show a dispersionless behavior of the valence band states as a function of the perpendicular component of the wave vector (along the c-axis), while as a function of the parallel component (in the a-b plane) clear dispersion occurs. Furthermore, polarization-dependent excitations reveal information on the symmetry of the unoccupied states

  1. Structure and Characterization of Vertically Aligned Single-Walled Carbon Nanotube Bundles

    International Nuclear Information System (INIS)

    Marquez, F.; Morant, C.; Elizalde, E.; Roque-Malherbe, R.; Lopez, V.; Zamora, F.; Domingo, C.

    2010-01-01

    Arrays of vertically aligned single-walled carbon nanotube bundles, SWCNTs, have been synthesized by simple alcohol catalytic chemical vapor deposition process, carried out at 800 degree C. The formed SWCNTs are organized in small groups perpendicularly aligned and attached to the substrate. These small bundles show a constant diameter of ca. 30 nm and are formed by the adhesion of no more than twenty individual SWCNTs perfectly aligned along their length.

  2. The structure of ultrathin iron films on tungsten single-crystal surfaces

    International Nuclear Information System (INIS)

    Gardiner, T.M.

    1983-01-01

    Ultrathin iron films vapour deposited onto the surface of a cylindrical tungsten single crystal are discussed. Results from work function change, Auger electron spectroscopic and low energy electron diffraction techniques are combined for a comparison of the initial stages of film growth on four low index planes. Advantage is taken of the opportunity to evaporate onto and simultaneously to make measurements on all surface orientations of the zone. (Auth.)

  3. Antisymmetrized four-body wave function and coexistence of single particle and cluster structures

    International Nuclear Information System (INIS)

    Sasakawa, T.

    1979-01-01

    It is shown that each Yakubovski component of the totally antisymmetric four-body wave function satisfies the same equation as the unantisymmetric wave function. In the antisymmetric total wave function, the wave functions belonging to the same kind of partition are totally antisymmetric among themselves. This leads to the coexistence of cluster models, including the single particle model as a special case of the cluster model, as a sum

  4. 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.

  5. Synthesis and structure of large single crystalline silver hexagonal microplates suitable for micromachining

    Energy Technology Data Exchange (ETDEWEB)

    Lyutov, Dimitar L.; Genkov, Kaloyan V.; Zyapkov, Anton D.; Tsutsumanova, Gichka G.; Tzonev, Atanas N. [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria); Lyutov, Lyudmil G. [Department of General and Inorganic Chemistry, Faculty of Chemistry, University of Sofia, 1, J. Bouchier Blvd, Sofia (Bulgaria); Russev, Stoyan C., E-mail: scr@phys.uni-sofia.bg [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria)

    2014-01-15

    We report a simple one-step synthesis method of large single crystalline Ag (111) hexagonal microplates with sharp edges and a size of up to tens of microns. Single silver crystals were produced by reduction silver nitrate aqueous solution with 4-(methylamino)phenol sulfate. Scanning and transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected area electron diffraction and optical microscopy techniques were combined to characterize the crystals. It is shown that the microplates can be easily dispersed and transferred as single objects onto different substrates and subsequently used as a high quality plasmonic starting material for micromachining of future nanocomponents, using modern top-down techniques like focused-ion beam milling and gas injection deposition. - Highlights: • Synthesis of large Ag hexagonal microplates with high crystallinity. • It is shown and discussed the role of twinning for the anisotropic 2D growth. • The Ag plates are stable in water and can be dispersed onto different substrates. • Their positioning and subsequent micromachining with FIB/GIS is demonstrated. • Suitable starting material for future plasmonic nanocomponents.

  6. Structural characterization of graphene layers in various Indian coals by X-Ray Diffraction technique

    Science.gov (United States)

    Manoj, B.; Kunjomana, A. G.

    2015-02-01

    The results of the structural investigation of three Indian coals showed that, the structural parameters like fa & Lc increased where as interlayer spacing d002 decreased with increase in carbon content, aromaticity and coal rank. These structural parameters change just opposite with increase in volatile matter content. Considering the 'turbostratic' structure for coals, the minimum separation between aromatic lamellae was found to vary between 3.34 to 3.61 A° for these coals. As the aromaticity increased, the interlayer spacing decreased an indication of more graphitization of the sample. Volatile matter and carbon content had a strong influence on the aromaticity, interlayer spacing and stacking height on the sample. The average number of carbon atoms per aromatic lamellae and number of layers in the lamellae was found to be 16-21 and 7-8 for all the samples.

  7. Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.

    Science.gov (United States)

    Kouno, Takahide; Silvas, Tania V; Hilbert, Brendan J; Shandilya, Shivender M D; Bohn, Markus F; Kelch, Brian A; Royer, William E; Somasundaran, Mohan; Kurt Yilmaz, Nese; Matsuo, Hiroshi; Schiffer, Celia A

    2017-04-28

    Nucleic acid editing enzymes are essential components of the immune system that lethally mutate viral pathogens and somatically mutate immunoglobulins, and contribute to the diversification and lethality of cancers. Among these enzymes are the seven human APOBEC3 deoxycytidine deaminases, each with unique target sequence specificity and subcellular localization. While the enzymology and biological consequences have been extensively studied, the mechanism by which APOBEC3s recognize and edit DNA remains elusive. Here we present the crystal structure of a complex of a cytidine deaminase with ssDNA bound in the active site at 2.2 Å. This structure not only visualizes the active site poised for catalysis of APOBEC3A, but pinpoints the residues that confer specificity towards CC/TC motifs. The APOBEC3A-ssDNA complex defines the 5'-3' directionality and subtle conformational changes that clench the ssDNA within the binding groove, revealing the architecture and mechanism of ssDNA recognition that is likely conserved among all polynucleotide deaminases, thereby opening the door for the design of mechanistic-based therapeutics.

  8. Single cell electroporation for longitudinal imaging of synaptic structure and function in the adult mouse neocortex in vivo

    Directory of Open Access Journals (Sweden)

    Stephane ePages

    2015-04-01

    Full Text Available Longitudinal imaging studies of neuronal structures in vivo have revealed rich dynamics in dendritic spines and axonal boutons. Spines and boutons are considered to be proxies for synapses. This implies that synapses display similar dynamics. However, spines and boutons do not always bear synapses, some may contain more than one, and dendritic shaft synapses have no clear structural proxies. In addition, synaptic strength is not always accurately revealed by just the size of these structures. Structural and functional dynamics of synapses could be studied more reliably using fluorescent synaptic proteins as markers for size and function. These proteins are often large and possibly interfere with circuit development, which renders them less suitable for conventional transfection or transgenesis methods such as viral vectors, in utero electroporation and germline transgenesis. Single cell electroporation has been shown to be a potential alternative for transfection of recombinant fluorescent proteins in adult cortical neurons. Here we provide proof of principle for the use of single cell electroporation to express and subsequently image fluorescently tagged synaptic proteins over days to weeks in vivo.

  9. A developed wedge fixtures assisted high precision TEM samples pre-thinning method: Towards the batch lamella preparation

    Directory of Open Access Journals (Sweden)

    Dandan Wang

    2017-04-01

    Full Text Available Ion milling, wedge cutting or polishing, and focused ion beam (FIB milling are widely-used techniques for the transmission electron microscope (TEM sample preparation. Especially, the FIB milling provides a site-specific analysis, deposition, and ablation of materials in the micrometer and nanometer scale. However, the cost of FIB tools has been always a significant concern. Since it is inevitable to use the FIB technique, the improvement of efficiency is a key point. Traditional TEM sample preparation with FIB was routinely implemented on a single sample each time. Aiming at cost efficiency, a new pre-thinning technique for batch sample preparation was developed in this paper. The present proposal combines the sample preparation techniques with multi-samples thinning, cross-section scanning electron microscopy (SEM, wedge cutting, FIB and other sample pre-thinning techniques. The new pre-thinning technique is to prepare an edge TEM sample on a grinding and polishing fixture with a slant surface. The thickness of the wedges sample can be measured to 1∼2 μm under optical microscope. Therefore, this fixture is superior to the traditional optical method of estimating the membrane thickness. Moreover, by utilizing a multi-sample holding fixture, more samples can be pre-thinned simultaneously, which significantly improved the productivity of TEM sample preparation.

  10. Crystal structure of a human single domain antibody dimer formed through V(H-V(H non-covalent interactions.

    Directory of Open Access Journals (Sweden)

    Toya Nath Baral

    Full Text Available Single-domain antibodies (sdAbs derived from human V(H are considered to be less soluble and prone to aggregate which makes it difficult to determine the crystal structures. In this study, we isolated and characterized two anti-human epidermal growth factor receptor-2 (HER2 sdAbs, Gr3 and Gr6, from a synthetic human V(H phage display library. Size exclusion chromatography and surface plasmon resonance analyses demonstrated that Gr3 is a monomer, but that Gr6 is a strict dimer. To understand this different molecular behavior, we solved the crystal structure of Gr6 to 1.6 Å resolution. The crystal structure revealed that the homodimer assembly of Gr6 closely mimics the V(H-V(L heterodimer of immunoglobulin variable domains and the dimerization interface is dominated by hydrophobic interactions.

  11. Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction

    International Nuclear Information System (INIS)

    Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu

    2014-01-01

    The most stable sorption site of dimethyl ether on silicalite-1 is the sinusoidal channel. The configuration of guest molecules (linear or bent) plays an important role in determining where the stable sorption site is situated. The adsorption structures of dimethyl ether (DME) on silicalite-1 zeolite (MFI-type) are determined using single-crystal X-ray diffraction. The structure of low-loaded DME-silicalite-1 indicates that all DME molecules are located in the sinusoidal channel, which is the most stable sorption site based on the van der Waals interaction between DME and the framework. The configuration of guest molecules (linear or bent) plays an important role in determining where the stable sorption site is in the pore system of MFI-type zeolites. Bent molecules favor the sinusoidal channel, while linear molecules favor the straight channel. The contribution of DME–DME interactions is considerable in the high-loaded DME-silicalite-1 structure

  12. Fluid-structure coupling effects on periodically transient flow of a single-blade sewage centrifugal pump

    International Nuclear Information System (INIS)

    Pei, Ji; Yuan, Shouqi; Yuan, Jianping

    2013-01-01

    A partitioned fluid-structure interaction (FSI) solving strategy that depends on problem characteristics is applied to quantitatively obtain the coupling effects of a fluid-structure system in a single-blade centrifugal pump on the unsteady flow. A two-way coupling method is employed to realize strong FSI effects in the calculation procedure. The successful impeller oscillation measurement using two proximity sensors validated the FSI simulation accuracy in a complicated and practical fluid-structure system having a rotating component. The results show that the hydrodynamic force deviation can be observed in the results for the coupled versus uncoupled cases. Additionally, the coupled unsteady pressure is larger than the uncoupled value for every monitoring point at every impeller rotation position. Comparison results for different monitoring points under an overload condition and partial-load condition display the same regularities. To some extent, this interaction mechanism would affect the accuracy and reliability of the unsteady flow and rotor deflection analysis.

  13. A high-gain, low ion-backflow double micro-mesh gaseous structure for single electron detection

    Science.gov (United States)

    Zhang, Zhiyong; Qi, Binbin; Liu, Chengming; Feng, Jianxin; Liu, Jianbei; Shao, Ming; Zhou, Yi; Hong, Daojin; Lv, You; Song, Guofeng; Wang, Xu; You, Wenhao

    2018-05-01

    Application of micro-pattern gaseous detectors to gaseous photomultiplier tubes has been widely investigated over the past two decades. In this paper, we present a double micro-mesh gaseous structure that has been designed and fabricated for this application. Tests with X-rays and UV laser light indicate that this structure exhibits an excellent gas gain of > 7 × 104 and good energy resolution of 19% (full width at half maximum) for 5.9 keV X-rays. The gas gain can reach up to 106 for single electrons while maintaining a very low ion-backflow ratio down to 0.0005. This structure has good potential for other applications requiring a very low level of ion backflow.

  14. Local structure of the silicon implanted in a graphite single crystal

    International Nuclear Information System (INIS)

    Baba, Yuji; Shimoyama, Iwao; Sekiguchi, Tetsuhiro

    2002-01-01

    Solid carbon forms two kinds of local structures, i.e., diamond-like and two-dimensional graphite structures. In contrast, silicon carbide tends to prefer only diamond structure that is composed of sp 3 bonds. In order to clarify weather or not two-dimensional graphitic Si x C layer exists, we investigate the local structures of Si x C layer produced by Si + -ion implantation into highly oriented pyrolytic graphite (HOPG) by means of near-edge X-ray absorption fine structure (NEXAFS). The energy of the resonance peak in the Si K-edge NEXAFS spectra for Si + -implanted HOPG is lower than those for any other Si-containing materials. The intensity of the resonance peak showed a strong polarization dependence. These results suggests that the final state orbitals around Si atoms have π*-like character and the direction of this orbital is perpendicular to the graphite plane. It is elucidated that the Si-C bonds produced by the Si + -ion implantation are nearly parallel to the graphite plane, and Si x C phase forms a two-dimensionally spread graphite-like layer with sp 2 bonds. (author)

  15. Structure predictions of two Bauhinia variegata lectins reveal patterns of C-terminal properties in single chain legume lectins.

    Science.gov (United States)

    Moreira, Gustavo M S G; Conceição, Fabricio R; McBride, Alan J A; Pinto, Luciano da S

    2013-01-01

    Bauhinia variegata lectins (BVL-I and BVL-II) are single chain lectins isolated from the plant Bauhinia variegata. Single chain lectins undergo post-translational processing on its N-terminal and C-terminal regions, which determines their physiological targeting, carbohydrate binding activity and pattern of quaternary association. These two lectins are isoforms, BVL-I being highly glycosylated, and thus far, it has not been possible to determine their structures. The present study used prediction and validation algorithms to elucidate the likely structures of BVL-I and -II. The program Bhageerath-H was chosen from among three different structure prediction programs due to its better overall reliability. In order to predict the C-terminal region cleavage sites, other lectins known to have this modification were analysed and three rules were created: (1) the first amino acid of the excised peptide is small or hydrophobic; (2) the cleavage occurs after an acid, polar, or hydrophobic residue, but not after a basic one; and (3) the cleavage spot is located 5-8 residues after a conserved Leu amino acid. These rules predicted that BVL-I and -II would have fifteen C-terminal residues cleaved, and this was confirmed experimentally by Edman degradation sequencing of BVL-I. Furthermore, the C-terminal analyses predicted that only BVL-II underwent α-helical folding in this region, similar to that seen in SBA and DBL. Conversely, BVL-I and -II contained four conserved regions of a GS-I association, providing evidence of a previously undescribed X4+unusual oligomerisation between the truncated BVL-I and the intact BVL-II. This is the first report on the structural analysis of lectins from Bauhinia spp. and therefore is important for the characterisation C-terminal cleavage and patterns of quaternary association of single chain lectins.

  16. Irradiation of zinc single crystal with 500 keV singly-charged carbon ions: surface morphology, structure, hardness, and chemical modifications

    Science.gov (United States)

    Waqas Khaliq, M.; Butt, M. Z.; Saleem, Murtaza

    2017-07-01

    Cylindrical specimens of (1 0 4) oriented zinc single crystal (diameter  =  6 mm and length  =  5 mm) were irradiated with 500 keV C+1 ions with the help of a Pelletron accelerator. Six specimens were irradiated in an ultra-high vacuum (~10‒8 Torr) with different ion doses, namely 3.94  ×  1014, 3.24  ×  1015, 5.33  ×  1015, 7.52  ×  1015, 1.06  ×  1016, and 1.30  ×  1016 ions cm-2. A field emission scanning electron microscope (FESEM) was utilized for the morphological study of the irradiated specimens. Formation of nano- and sub-micron size rods, clusters, flower- and fork-like structures, etc, was observed. Surface roughness of the irradiated specimens showed an increasing trend with the ions dose. Energy dispersive x-ray spectroscopy (EDX) helped to determine chemical modifications in the specimens. It was found that carbon content varied in the range 22.86-31.20 wt.% and that oxygen content was almost constant, with an average value of 10.16 wt.%. The balance content was zinc. Structural parameters, i.e. crystallite size and lattice strain, were determined by Williamson-Hall analysis using x-ray diffraction (XRD) patterns of the irradiated specimens. Both crystallite size and lattice strain showed a decreasing trend with the increasing ions dose. A good linear relationship between crystallite size and lattice strain was observed. Surface hardness depicted a decreasing trend with the ions dose and followed an inverse Hall-Petch relation. FTIR spectra of the specimens revealed that absorption bands gradually diminish as the dose of singly-charged carbon ions is increased from 3.94  ×  1014 ions cm-1 to 1.30  ×  1016 ions cm-1. This indicates progressive deterioration of chemical bonds with the increase in ion dose.

  17. Tl{sub 10}Hg{sub 3}Cl{sub 16}: Single crystal growth, electronic structure and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Khyzhun, O.Y., E-mail: khyzhun@ipms.kiev.ua [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J.Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa PL-42-217 (Poland); Kityk, I.V. [Electrical Engineering Department, Częstochowa University Technology, Armii Krajowej 17, PL-42-200 Częstochowa (Poland); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, 79010 Lviv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Street, 58012 Chernivtsi (Ukraine); Levkovets, S.I. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine); Karpets, M.V. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine)

    2016-10-15

    Single crystal of the ternary halide Tl{sub 10}Hg{sub 3}Cl{sub 16} was grown using Bridgman-Stockbarger method. For the Tl{sub 10}Hg{sub 3}Cl{sub 16} crystal, we have measured X-ray photoelectron spectra for both pristine and Ar{sup +} ion-bombarded surfaces and additionally investigated photoinduced piezoelectricity. Our data indicate that the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is very sensitive with respect to Ar{sup +} ion-bombardment. In particular, Ar{sup +} ion-bombardment with energy of 3.0 keV over 5 min at an ion current density of 14 μA/cm{sup 2} causes significant changes of the elemental stoichiometry of the Tl{sub 10}Hg{sub 3}Cl{sub 16} surface resulting in an abrupt decrease of the mercury content in the top surface layers of the studied single crystal. As a result of the treatment, the mercury content becomes nil in the top surface layers. In addition, the present XPS measurements allow for concluding about very low hygroscopicity of the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface. The property is extremely important for the crystal handling in optoelectronic or nano-electronic devices working at ambient conditions. The photoinduced piezoelectricity has been explored for Tl{sub 10}Hg{sub 3}Cl{sub 16} depending on nitrogen (λ=371 nm) laser power density and temperature. - Graphical abstract: As-grown single crystal boule of Tl{sub 10}Hg{sub 3}Cl{sub 16}; dependence of the effective piezoelecric coefficient d{sub 33} versus the photoinducing nitrogen laser power density, I, at different temperatures, T; and packing of the polyhedra of halide atoms around Hg atoms in the Tl{sub 10}Hg{sub 3}Cl{sub 16} structure. - Highlights: • High-quality Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal has been grown by Bridgman-Stockbarger method. • Electronic structure of Tl{sub 10}Hg{sub 3}Cl{sub 16} is studied by the XPS method. • Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is sensitive with respect to Ar{sup +} ion

  18. Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation

    Science.gov (United States)

    Yorulmaz, Uğur; Özden, Ayberk; Perkgöz, Nihan K.; Ay, Feridun; Sevik, Cem

    2016-08-01

    MXenes, carbides, nitrides and carbonitrides of early transition metals are the new members of two dimensional materials family given with a formula of {{{M}}}n+1 X n . Recent advances in chemical exfoliation and CVD growth of these crystals together with their promising performance in electrochemical energy storage systems have triggered the interest in these two dimensional structures. In this work, we employ first principles calculations for n = 1 structures of Sc, Ti, Zr, Mo and Hf pristine MXenes and their fully surface terminated forms with F and O. We systematically investigated the dynamical and mechanical stability of both pristine and fully terminated MXene structures to determine the possible MXene candidates for experimental realization. In conjunction with an extensive stability analysis, we report Raman and infrared active mode frequencies for the first time, providing indispensable information for the experimental elaboration of MXene field. After determining dynamically stable MXenes, we provide their phonon dispersion relations, electronic and mechanical properties.

  19. Structural Design of Systems with Safe Behavior under Single and Multiple Faults

    DEFF Research Database (Denmark)

    Blanke, Mogens; Staroswiecki, Marcel

    2006-01-01

    Handling of multiple simultaneous faults is a complex issue in fault-tolerant control. The design task is particularly made difficult by to the numerous different cases that need be analyzed. Aiming at safe fault-handling, this paper shows how structural analysis can be applied to find...... to structural analysis to disclose which faults could be isolated from a structural point of view using active fault isolation. Results from application on a marine control system illustrate the concepts....... the analytical redundancy relations for all relevant combinations of faults, and can cope with the complexity and size of a real system. Being essential for fault-tolerant control schemes that shall handle particular cases of faults/failures, fault isolation is addressed. The paper introduces an extension...

  20. Structure and magnetic properties of flux grown single crystals of Co3-xFexSn2S2 shandites

    Science.gov (United States)

    Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

    2016-01-01

    We report a successful single crystal growth of the shandite-type half-metallic ferromagnet Co3Sn2S2, and its Fe-substituted compounds, Co3-xFexSn2S2, by employing the flux method. Although Fe3Sn2S2 is unstable phase, we found that using the self Sn flux enables us to obtain single phase crystals up to x=0.53. The chemical composition of the grown plate-shaped single crystals was examined using wavelength-dispersive X-ray spectroscopy. The shandite structure with R 3 ̅m symmetry was confirmed by powder X-ray diffraction and the crystal structure parameters were refined using the Rietveld method. Magnetization measurements show suppression of the ferromagnetic order upon Fe-substitution , as well as in other substituted systems such as In- and Ni-substituted Co3Sn2S2. The almost identical magnetic phase diagrams of the Fe- and In-substituted compounds indicate that the electron number is dominantly significant to the magnetism in the Co-based shandite.

  1. Influence of copper single crystal structures on the reflection of low energy hydrogen and helium ions

    International Nuclear Information System (INIS)

    Feijen, H.H.W.

    1975-01-01

    A theoretical basis for the 'wedge-focussing' phenomenon is outlined. Investigations have been made to check up to what extent proton reflection can be simulated by using H 2 + or H 3 + as incident ions and analysing the reflected protons. The results of an experimental study of the influence of surface semi-channels on the reflection of low energy ( + , H 2 + and He + ions from copper single crystals with attention to the wedge-focussing effect are presented (G.T.H.)

  2. Controllable synthesis of rice-shape Alq3 nanoparticles with single crystal structure

    Science.gov (United States)

    Xie, Wanfeng; Fan, Jihui; Song, Hui; Jiang, Feng; Yuan, Huimin; Wei, Zhixian; Ji, Ziwu; Pang, Zhiyong; Han, Shenghao

    2016-10-01

    We report the controllable growth of rice-shape nanoparticles of Alq3 by an extremely facile self-assembly approach. Possible mechanisms have been proposed to interpret the formation and controlled process of the single crystal nanoparticles. The field-emission performances (turn-on field 7 V μm-1, maximum current density 2.9 mA cm-2) indicate the potential application on miniaturized nano-optoelectronics devices of Alq3-based. This facile method can potentially be used for the controlled synthesis of other functional complexes and organic nanostructures.

  3. Structural profiling and biological performance of phospholipid-hyaluronan functionalized single-walled carbon nanotubes

    DEFF Research Database (Denmark)

    Dvash, Ram; Khatchatouriants, Artium; Solmesky, Leonardo J

    2013-01-01

    In spite of significant insolubility and toxicity, carbon nanotubes (CNTs) erupt into the biomedical research, and create an increasing interest in the field of nanomedicine. Single-walled CNTs (SWCNTs) are highly hydrophobic and have been shown to be toxic while systemically administrated. Thus...... an inflammatory response in macrophages as evidenced by the cytokine profiling and the use of image-based high-content analysis approach in contrast to non-modified CNTs. In addition, systemic administration of CNT-PL-HA into healthy C57BL/6 mice did not alter the total number of leukocytes nor increased liver...

  4. 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

  5. Structural analysis of Hanford's single-shell 241-C-106 tank: A first step toward waste-tank remediation

    International Nuclear Information System (INIS)

    Harris, J.P.; Julyk, L.J.; Marlow, R.S.; Moore, C.J.; Day, J.P.; Dyrness, A.D.; Jagadish, P.; Shulman, J.S.

    1993-10-01

    The buried single-shell waste tank 241-C-106, located at the US Department of Energy's Hanford Site, has been a repository for various liquid radioactive waste materials since its construction in 1943. A first step toward waste tank remediation is demonstrating that remediation activities can be performed safely. Determination of the current structural capacity of this high-heat tank is an important element in this assessment. A structural finite-element model of tank 241-C-106 has been developed to assess the tank's structural integrity with respect to in situ conditions and additional remediation surface loads. To predict structural integrity realistically, the model appropriately addresses two complex issues: (1) surrounding soil-tank interaction associated with thermal expansion cycling and surcharge load distribution and (2) concrete-property degradation and creep resulting from exposure to high temperatures generated by the waste. This paper describes the development of the 241-C-106 structural model, analysis methodology, and tank-specific structural acceptance criteria

  6. Effects of temperature and void on the dynamics and microstructure of structural transition in single crystal iron

    Science.gov (United States)

    Shao, Jian-Li; Wang, Pei; Zhang, Feng-Guo; He, An-Min

    2018-06-01

    With classic molecular dynamics simulations, we investigate the effects of temperature and void on the bcc to hcp/fcc structural transition in single crystal iron driven by 1D ([0 0 1]) and 3D (uniform) compressions. The results show that the pressure threshold does not reduce monotonously with temperature. The pressure threshold firstly increases and then decreases in the range of 60–360 K under 1D compression, while the variation trend is just opposite under 3D compression. As expected, the initial defect may lower the pressure threshold via heterogenous nucleation. This effect is found to be more distinct at lower temperature, and the heterogenous nucleation mainly results in hcp structure. Under the condition of strain constraint, the products of structural transition will respectively form flaky hcp twin structure ((1 0 0) or (0 1 0)) and lamellar structure ({1 1 0}) of mixed phases under 1D and 3D compressions. During the structural transition, we find the shear stress (1D compression) of hcp phase is always lower than that of bcc phase. The cold energy calculations indicate that the hcp phase is the most stable under high pressure. However, we observe the evident metastable state of bcc phase, whose energy will be much higher than both hcp and fcc phases, and then provides the possibility for the occurrence of fcc nucleation.

  7. Evidence of pervasive biologically functional secondary structures within the genomes of eukaryotic single-stranded DNA viruses.

    Science.gov (United States)

    Muhire, Brejnev Muhizi; Golden, Michael; Murrell, Ben; Lefeuvre, Pierre; Lett, Jean-Michel; Gray, Alistair; Poon, Art Y F; Ngandu, Nobubelo Kwanele; Semegni, Yves; Tanov, Emil Pavlov; Monjane, Adérito Luis; Harkins, Gordon William; Varsani, Arvind; Shepherd, Dionne Natalie; Martin, Darren Patrick

    2014-02-01

    Single-stranded DNA (ssDNA) viruses have genomes that are potentially capable of forming complex secondary structures through Watson-Crick base pairing between their constituent nucleotides. A few of the structural elements formed by such base pairings are, in fact, known to have important functions during the replication of many ssDNA viruses. Unknown, however, are (i) whether numerous additional ssDNA virus genomic structural elements predicted to exist by computational DNA folding methods actually exist and (ii) whether those structures that do exist have any biological relevance. We therefore computationally inferred lists of the most evolutionarily conserved structures within a diverse selection of animal- and plant-infecting ssDNA viruses drawn from the families Circoviridae, Anelloviridae, Parvoviridae, Nanoviridae, and Geminiviridae and analyzed these for evidence of natural selection favoring the maintenance of these structures. While we find evidence that is consistent with purifying selection being stronger at nucleotide sites that are predicted to be base paired than at sites predicted to be unpaired, we also find strong associations between sites that are predicted to pair with one another and site pairs that are apparently coevolving in a complementary fashion. Collectively, these results indicate that natural selection actively preserves much of the pervasive secondary structure that is evident within eukaryote-infecting ssDNA virus genomes and, therefore, that much of this structure is biologically functional. Lastly, we provide examples of various highly conserved but completely uncharacterized structural elements that likely have important functions within some of the ssDNA virus genomes analyzed here.

  8. Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE.

    Science.gov (United States)

    Rigden, Daniel J; Thomas, Jens M H; Simkovic, Felix; Simpkin, Adam; Winn, Martyn D; Mayans, Olga; Keegan, Ronan M

    2018-03-01

    Molecular replacement (MR) is the predominant route to solution of the phase problem in macromolecular crystallography. Although routine in many cases, it becomes more effortful and often impossible when the available experimental structures typically used as search models are only distantly homologous to the target. Nevertheless, with current powerful MR software, relatively small core structures shared between the target and known structure, of 20-40% of the overall structure for example, can succeed as search models where they can be isolated. Manual sculpting of such small structural cores is rarely attempted and is dependent on the crystallographer's expertise and understanding of the protein family in question. Automated search-model editing has previously been performed on the basis of sequence alignment, in order to eliminate, for example, side chains or loops that are not present in the target, or on the basis of structural features (e.g. solvent accessibility) or crystallographic parameters (e.g. B factors). Here, based on recent work demonstrating a correlation between evolutionary conservation and protein rigidity/packing, novel automated ways to derive edited search models from a given distant homologue over a range of sizes are presented. A variety of structure-based metrics, many readily obtained from online webservers, can be fed to the MR pipeline AMPLE to produce search models that succeed with a set of test cases where expertly manually edited comparators, further processed in diverse ways with MrBUMP, fail. Further significant performance gains result when the structure-based distance geometry method CONCOORD is used to generate ensembles from the distant homologue. To our knowledge, this is the first such approach whereby a single structure is meaningfully transformed into an ensemble for the purposes of MR. Additional cases further demonstrate the advantages of the approach. CONCOORD is freely available and computationally inexpensive, so

  9. Single layer and multilayer vacuum-arc coatings based on the nitride TiAlSiYN: composition, structure, properties

    International Nuclear Information System (INIS)

    Beresnev, V.M.; Litovchenko, S.V.; Nemchenko, U.S.; Srebnyuk, P.A.; Mazilin, B.A.; Sobol, O.V.; Mejlekhov, A.A.; Barmin, A.E.; Serenko, TA.; Pogrebnyak, A.D.; Ivanov, O.N.; Kritsyna, E.V.; Stolbovoj, V.A.; Novikov, V.Yu.; Malikov, L.V.

    2017-01-01

    Using high-technological vacuum-arc evaporation in the atmosphere of nitrogen with ion bombardment, single- and multilayer coatings based on TiAlSiYN with high mechanical characteristics were obtained: hardness of the coatings reached 49.5 GPa, resistance to wear, with the value of the critical point L_C_5 reaching 184.92 N. The peculiarities of radiation-induced effect at applying bias potential U_b were found: formation of nitride coatings based on fcc metallic lattice with the preferred orientation of crystallites with the texture axis [111], as well as simultaneous growth of hardness. Hardness of both single- and multilayer coatings increases by 40...50% at the increase of U_b from 50 to 200 V. Formation of silicon-containing layers of TiAlSiYN during the deposition contributes to reaching increased hardness, which, in the case of single-layer coating obtained at U_b = -200 V is 49.5 GPa, which corresponds to superhard state. The mechanisms of structure formation, defining the resulting mechanical characteristics of single- and multi-layer coatings based on TiAlSiYN nitride have been discussed.

  10. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    Energy Technology Data Exchange (ETDEWEB)

    Günay, E. [Gazi University, Mechanical Engineering Department, 06570, Ankara (Turkey)

    2016-04-21

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  11. On the structure and dynamics of water associated with single-supported zwitterionic and anionic membranes

    DEFF Research Database (Denmark)

    Miskowiec, A.; Buck, Z. N.; Hansen, Flemming Yssing

    2017-01-01

    We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine) and the ani......We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine......) and the anionic lipid DMPG (1,2-dimyristoyl-sn-glycero-3-phosphoglycerol) in the temperature range 160-295 K. For both membranes, the temperature dependence of the intensity of neutrons scattered elastically and incoherently from these samples indicates a series of freezing/melting transitions...... the membrane and two types of confined water in closer proximity to the lipids. Specifically, we propose a water type termed "confined 2" located within and just above the lipid head groups of the membrane and confined 1 water that lies between the bulk-like and confined 2 water. Confined 1 water is only...

  12. Competition between collective and single particle excitations in nuclear structure description

    International Nuclear Information System (INIS)

    Petrovici, A.N.

    1983-01-01

    The microscopic description of the quadrupole collective dynamics in even krypton isotopes is presented. A microscopic calculation of Bohr's collective Hamiltonian is used to describe the collective motion in 76 Kr. A single-particle basis calculated in a deformed Woods-Saxon potential leads to the potential energy surface obtained by the Strutinsky renormalization procedure, and to the inertial functions determined in the cranking model approximation. The collective Schroedinger equation is solved numerically to analyse the low-energy, even parity states in 76 Kr. A good agreement between experiment and theory is obtained without specifically adjusting any parameter in the model for this nucleus. Some results regarding statical and dynamical characteristics of sup(74,78,80)Kr isotopes are also presented. The asymmetric rotor model with admixture of two quasiparticles is used to describe the sup(66,68,70)Ge and the sup(64,66)Zn isotopes. The interplay of collective and single particle motions is further investigated by magnetic moment measurements using the method of integral angular correlations perturbed by recoil into gas. The results involve g-factor measurements for 166 Ho, 68 Ge, 64 Zn, 66 Zn and 68 Ga nuclei. Finally, a discussion of further possible improvements and more general developments of the problems under investigation is given. (author)

  13. Molecular dynamics simulations of single siloxane dendrimers: Molecular structure and intramolecular mobility of terminal groups

    Science.gov (United States)

    Kurbatov, A. O.; Balabaev, N. K.; Mazo, M. A.; Kramarenko, E. Yu.

    2018-01-01

    Molecular dynamics simulations of two types of isolated siloxane dendrimers of various generations (from the 2nd to the 8th) have been performed for temperatures ranging from 150 K to 600 K. The first type of dendrimer molecules has short spacers consisting of a single oxygen atom. In the dendrimers of the second type, spacers are longer and comprised of two oxygen atoms separated by a single silicon atom. A comparative analysis of molecular macroscopic parameters such as the gyration radius and the shape factor as well as atom distributions within dendrimer interior has been performed for varying generation number, temperature, and spacer length. It has been found that the short-spacer dendrimers of the 7th and 8th generations have a stressed central part with elongated bonds and deformed valence angles. Investigation of the time evolution of radial displacements of the terminal Si atoms has shown that a fraction of the Si groups have a reduced mobility. Therefore, rather long time trajectories (of the order of tens of nanoseconds) are required to study dendrimer intramolecular dynamics.

  14. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    Science.gov (United States)

    Günay, E.

    2016-04-01

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  15. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    International Nuclear Information System (INIS)

    Günay, E.

    2016-01-01

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  16. Structure, single-particle and many-particle coefficients of Lennard ...

    Indian Academy of Sciences (India)

    Molecular dynamics calculations; viscosity of liquids; structure of liquids; simple liquids and ... (UNAABMD) that uses the Verlet algorithm to perform the integration of equa- ... The input parameters for the Lennard–Jones model are σ = 2.62 Å and .... viscosity. This has been calculated using also the Green–Kubo relation and.

  17. Electronic, structural, and substrate effect properties of single-layer covalent organic frameworks

    International Nuclear Information System (INIS)

    Liang, Liangbo; Zhu, Pan; Meunier, Vincent

    2015-01-01

    Recently synthesized two-dimensional covalent organic frameworks (COFs) exhibit high surface area, large pore size, and unique structural architectures, making them promising materials for various energy applications. Here, a total of nine COFs structures, including two deposited on a hexagonal boron nitride substrate, are investigated using density functional theory, quasi-particle many-body theory within the GW approximation, and an image charge model. The structures considered belong to two major families (thiophene-based COF-n (T-COF-n) and tetrakis (4-aminophenyl) porphyrin-x (TAPP-x)) differing from the presence of B—O or C=N linkers. While T-COF-n structures are shown to constitute planar networks, TAPP-x systems can display non-negligible corrugation due to the out-of-plane rotation of phenyl rings. We find that the electronic properties do not differ significantly when altering the chain molecules within each family. Many-body effects are shown to lead to large band-gap increase while the presence of the substrate yields appreciable reductions of the gaps, due to substrate polarization effects

  18. Structure sensitivity in CO oxidation by a single Au atom supported on ceria

    NARCIS (Netherlands)

    Song, W.; Hensen, E.J.M.

    2013-01-01

    The mechanism of CO oxidation by a CeO2(110)-supported gold atom has been investigated by DFT calculations. A novel stable surface structure has been identified in which one surface O atom of ceria migrates toward the isolated Au atom, resulting in a surface Au–O species that can react with CO.

  19. Integrated view of genome structure and sequence of a single DNA molecule in a nanofluidic device

    DEFF Research Database (Denmark)

    Marie, Rodolphe; Pedersen, Jonas Nyvold; L. V. Bauer, David

    2013-01-01

    as well as unique structural variation. Following its mapping, a molecule of interest was rescued fromthe chip;amplified and localized to a chromosome by FISH; and interrogated down to 1-bp resolution with a commercial sequencer, thereby reconciling haplotype-phased chromosome substructure with sequence....

  20. Recursion method for the quasiparticle structure of a single vortex with induced magnetic order

    DEFF Research Database (Denmark)

    Udby, L.; Andersen, B.M.; Hedegård, P.

    2006-01-01

    . Furthermore, we study the low-energy quasiparticle structure when magnetic vortices operate as pinning centers for surrounding unidirectional spin density waves (stripes). We calculate the Fourier transformed LDOS and show how the energy dependence of relevant Fourier components can be used to determine...

  1. Formation of Si single-crystal hetero photocells structure by the beam technologies

    International Nuclear Information System (INIS)

    Dovbnya, A.N.; Efimov, V.P.; Efimov, S.V.

    1997-01-01

    To increase the service time of solar photo elements new methods are proposed. One of them consists in three-step conversion of solar spectrum in geterogenic structures. This can solve the problem of light flux control in c-Si semiconductors and to create a silicon photo element of high efficiency and protection from solar plasma particle action

  2. Damage Localization of Severely Damaged RC-Structures Based on Measured Eigenperiods from a Single Response

    DEFF Research Database (Denmark)

    Skjærbæk, P. S.; Nielsen, Søren R.K.; Cakmak, A. S.

    This paper deals with the estimation of the damage location of severely damaged Reinforced Concrete (RC) structures excited by earthquakes. It is assumed that the building is instrumented with a sensor measuring the earthquake acceleration signal at ground surface and a sensor measuring only...

  3. The effect of seasonal harvesting on a single-species discrete population model with stage structure and birth pulses

    International Nuclear Information System (INIS)

    Gao Shujing; Chen Lansun

    2005-01-01

    In this paper, we propose an exploited single-species discrete model with stage structure for the dynamics in a fish population for which births occur in a single pulse once per time period. Using the stroboscopic map, we obtain an exact cycle of the system, and obtain the threshold conditions for its stability. Bifurcation diagrams are constructed with the birth rate as the bifurcation parameter, and these are observed to display complex dynamic behaviors, including chaotic bands with period windows, pitch-fork and tangent bifurcation. This suggests that birth pulse provides a natural period or cyclicity that makes the dynamical behavior more complex. Moreover, we show that the timing of harvesting has a strong impact on the persistence of the fish population, on the volume of mature fish stock and on the maximum annual-sustainable yield. An interesting result is obtained that, after the birth pulse, the earlier culling the mature fish, the larger harvest can tolerate

  4. Photoluminescence and structural properties of unintentional single and double InGaSb/GaSb quantum wells grown by MOVPE

    Science.gov (United States)

    Ahia, Chinedu Christian; Tile, Ngcali; Botha, Johannes R.; Olivier, E. J.

    2018-04-01

    The structural and photoluminescence (PL) characterization of InGaSb quantum well (QW) structures grown on GaSb substrate (100) using atmospheric pressure Metalorganic Vapor Phase Epitaxy (MOVPE) is presented. Both structures (single and double-InGaSb QWs) were inadvertently formed during an attempt to grow capped InSb/GaSb quantum dots (QDs). In this work, 10 K PL peak energies at 735 meV and 740 meV are suggested to be emissions from the single and double QWs, respectively. These lines exhibit red shifts, accompanied by a reduction in their full-widths at half-maximum (FWHM) as the excitation power decreases. The presence of a GaSb spacer in the double QW was found to increase the strength of the PL emission, which consequently gives rise to a reduced blue-shift and broadening of the PL emission line observed for the double QW with an increase in laser power, while the low thermal activation energy for the quenching of the PL from the double QW is attributed to the existence of threading dislocations, as seen in the bright field TEM image for this sample.

  5. First-principles study of structural and work function properties for nitrogen-doped single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Shao, Xiji; Li, Detian; Cai, Jianqiu; Luo, Haijun; Dong, Changkun

    2016-01-01

    Graphical abstract: - Highlights: • Substitutional nitrogen atom doping in capped (5, 5) SWNT is investigated. • Serious defects appear from breaks of C−N bonds with N contents of above 23.3 at.%. • Work function drops after N doping and may reach 4.1 eV. - Abstract: The structural and electronic properties of the capped (5, 5) single-walled carbon nanotube (SWNT), including the structural stability, the work function, and the charge transfer performance, are investigated for the substitutional nitrogen atom doping under different concentrations by first-principles density functional theory. The geometrical structure keeps almost intact with single or two N atom doping, while C−N bonds may break up with serious defects for N concentrations of 23.3 at.% and above. The SWNT remains metallic and the work function drops after doping due to the upward shift of Fermi level, leading to the increase of the electrical conductivity. N doping enhances the oxygen reduction activity stronger than N adsorption because of higher charge transfers.

  6. Effects of Thermal Exposure on Structures of DD6 Single Crystal Superalloy with Thermal Barrier Coatings

    Directory of Open Access Journals (Sweden)

    DONG Jianmin

    2016-10-01

    Full Text Available In order to investigate the effect of water grit-blasting and high temperature thermal exposure on the microstructures of DD6 alloy with TBCs, DD6 single crystal superalloy specimens were water grit-blasted with 0.3 MPa pressure, then the specimens were coated with thermal barrier coatings by electron beam physical vapor deposition (EB-PVD. Specimens with TBCs were exposed at 1100℃ for 50 and 100 hours in the air respectively, and then these specimens were subjected to stress-rupture tests under the condition of 1100℃/130 MPa. The results show that grit-blasting doesn't lead into the recrystallization, thermal exposure can induce element interdiffusion between the bond coat and alloy substrate, the residual stress and element diffusion lead into the changes of γ' phase coarsing direction. After stress rupture tests, the secondary reaction zone emerges into a local area.

  7. Structural and magnetic properties of single-crystalline Co-doped barium titanate nanoparticles

    International Nuclear Information System (INIS)

    Liu Hongxue; Cao Baobao; O'Connor, Charles J.

    2010-01-01

    Undoped and Co-doped BaTiO 3 nanoparticles were synthesized by a one-step sol-precipitation method. For all the samples, X-ray diffraction showed characteristic diffraction lines for BaTiO 3 without the indication of secondary phases. High-resolution transition electron microscopy images showed that BaTiO 3 nanoparticles exhibit the nature of single-crystal. Magnetometry revealed that all the Co-doped BaTiO 3 samples show paramagnetic behaviors and Co ions in BaTiO 3 are present as isolated paramagnetic centers. This is contrasted to several reported cases of ferromagnetism in Co-doped BaTiO 3 .

  8. Annealing effect of H+ -implanted single crystal silicon on strain and crystal structure

    International Nuclear Information System (INIS)

    Duo Xinzhong; Liu Weili; Zhang Miao; Gao Jianxia; Fu Xiaorong; Lin Chenglu

    2000-01-01

    The work focuses on the rocking curves of H + -implanted single silicon crystal detected by Four-Crystal X-ray diffractometer. The samples were annealed under different temperatures. Lattice defect in H + -implanted silicon crystals was detected by Rutherford Backscattering Spectrometry. It appeared that H-related complex did not crush until annealing temperature reached about 400 degree C. At that temperature H 2 was formed, deflated in silicon lattice and strained the lattice. But defects did not come into being in large quantity. The lattice was undamaged. When annealing temperature reached 500 degree C, strain induced by H 2 deflation crashed the silicon lattice. A large number of defects were formed. At the same time bubbles in the crystal and blister/flaking on the surface could be observed

  9. Multiphysical simulation analysis of the dislocation structure in germanium single crystals

    Science.gov (United States)

    Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

    2016-09-01

    To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

  10. Modulated magnetic structure of an inhomogeneous stressed single crystal FeBO3

    International Nuclear Information System (INIS)

    Sharipiv, M.Z.; Dzhuraev, D.R.; Sokolov, B.Yu.; Kurbanov, M.

    2010-01-01

    With the help of low-symmetry mechanical stresses, we induced an additional spatially inhomogeneous anisotropy in the basal plane of a single crystal FeBO 3 . By the magnetooptical method, we study the effect of an inhomogeneous magnetic anisotropy on the magnetic state of this easy-plane weak ferromagnetic. It is established that, at the magnetization of inhomogeneously stressed FeBO 3 in the basal plane near some separated direction, the crystal transits from the homogeneous state into a spatially modulated magnetic state. The latter can be represented in the form of a static spin wave, in which a local vector of ferromagnetism oscillates near the direction of the mean magnetization of a crystal, by remaining in the basal plane.

  11. Plastic deformation of single crystals of WSi2 with the C11b structure

    International Nuclear Information System (INIS)

    Ito, K.; Yano, T.; Nakamoto, T.; Inui, H.; Yamaguchi, M.

    1999-01-01

    The deformation behavior of single crystals of WSi 2 has been investigated as a function of crystal orientation in the temperature range from room temperature to 1500 C in compression. Single crystals of WSi 2 can be deformed only at high temperatures above 1100 C, in contrast to MoSi 2 in which plastic flow is possible even at room temperature. Four slip systems, {110} left-angle 111 right-angle, {011} left-angle 100 right-angle, {023} left-angle 100 right-angle and (001)left-angle 100 right-angle, are identified. While the former three slip systems are operative also in MoSi 2 , the (001)left-angle 100 right-angle slip is only operative in WSi 2 . The (001)left-angle 100 right-angle slip in WSi 2 is the alternative to {013} left-angle 331 right-angle slip in MoSi 2 since they are operative in the same orientation range. Slip on {110} left-angle 331 right-angle is hardly observed in WSi 2 . The values of critical resolved shear stress (CRSS) for the commonly observed slip systems are much higher in WSi 2 than in MoSi 2 with the largest difference for {110} left-angle 111 right-angle slip. The higher CRSS values in WSi 2 are not only due to the intrinsic difference in the deformation behavior but also due to the existence of numerous grown-in stacking faults on (001)

  12. Upgrade of neutron energy spectrometer with single multilayer bonner sphere using onion-like structure

    International Nuclear Information System (INIS)

    Mizukpshi, Tomoaki; Watanabe, Kenichi; Yamazaki, Atsushi; Uritan, Akira; Iguchi, Tetsuo; Ogata, Tomohiro; Muramatsu, Takashi

    2016-01-01

    In order to measure neutron energy spectra, the conventional Bonner Sphere Spectrometers (BSS) are widely used. In this spectrometer, several measurements with different size Bonner spheres are required. Operators should, therefore, place these spheres in several times to a measurement point where radiation dose might be relatively high. In order to reduce this effort, novel neutron energy spectrometer using an onion-like single Bonner sphere was proposed in our group. This Bonner sphere has multiple sensitive spherical shell layers in the single sphere. In this spectrometer, a band-shaped thermal neutron detection medium, which consists of a LiF-ZnS mixed powder scintillator sheet and a wavelength-shifting (WLS) fiber readout, was looped to each sphere at equal angular intervals. Amount of LiF neutron converter is reduced near polar region, where the band-shaped detectors are concentrated, in order to uniform the directional sensitivity. The LiF-ZnS mixed powder has an advantage of extremely high light yield. However, since it is opaque, scintillation photons cannot be collect uniformly. This type of detector shows no characteristic shape in the pulse height spectrum. Subsequently, it is difficult to set the pulse height discrimination level. This issue causes sensitivity fluctuation due to gain instability of photodetectors and/or electric modules. In order to solve this problem, we propose to replace the LiF-ZnS mixed powder into a flexible and Transparent RUbber SheeT type LiCaAlF6 (TRUST LiCAF) scintillator. TRUST LiCAF scintillator can show a peak shape corresponding to neutron absorption events in the pulse height spectrum. We fabricated the prototype detector with five sensitive layers using TRUST LiCAF scintillator and conducted basic experiments to evaluate the directional uniformity of the sensitivity. The fabricated detector shows excellent directional uniformity of the neutron sensitivity

  13. Effect of chain stiffness on the structure of single-chain polymer nanoparticles

    DEFF Research Database (Denmark)

    Moreno, Angel J; Bacova, Petra; Lo Verso, Federica

    2018-01-01

    of the domains is in all cases similar to that of Gaussian chains or rings, irrespective of the stiffness and degree of cross-linking. It is the spatial arrangement of the domains which determines the global structure of the SCNP (sparse Gaussian-like object or crumpled globule). Since intramolecular stiffness...... or 'crumpled' globular behaviour for very stiff SCNPs. We characterize domains in the SCNPs. These are weakly deformable regions that can be seen as disordered analogues of domains in disordered proteins. Increasing stiffness leads to bigger and less deformable domains. Surprisingly, the scaling behaviour...... can be varied through the specific chemistry of the precursor or by introducing bulky side groups in its backbone, our results propose a new strategy to tune the global structure of SCNPs. ....

  14. Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains

    Directory of Open Access Journals (Sweden)

    Owens Raymond J

    2010-05-01

    Full Text Available Abstract Background Zhx1 to 3 (zinc-fingers and homeoboxes form a set of paralogous genes encoding multi-domain proteins. ZHX proteins consist of two zinc fingers followed by five homeodomains. ZHXs have biological roles in cell cycle control by acting as co-repressors of the transcriptional regulator Nuclear Factor Y. As part of a structural genomics project we have expressed single and multi-domain fragments of the different human ZHX genes for use in structure determination. Results A total of 30 single and multiple domain ZHX1-3 constructs selected from bioinformatics protocols were screened for soluble expression in E. coli using high throughput methodologies. Two homeodomains were crystallized leading to structures for ZHX1 HD4 and ZHX2 HD2. ZHX1 HD4, although closest matched to homeodomains from 'homez' and 'engrailed', showed structural differences, notably an additional C-terminal helix (helix V which wrapped over helix I thereby making extensive contacts. Although ZHX2 HD2-3 was successfully expressed and purified, proteolysis occurred during crystallization yielding crystals of just HD2. The structure of ZHX2 HD2 showed an unusual open conformation with helix I undergoing 'domain-swapping' to form a homodimer. Conclusions Although multiple-domain constructs of ZHX1 selected by bioinformatics studies could be expressed solubly, only single homeodomains yielded crystals. The crystal structure of ZHX1 HD4 showed additional hydrophobic interactions relative to many known homeodomains via extensive contacts formed by the novel C-terminal helix V with, in particular, helix I. Additionally, the replacement of some charged covariant residues (which are commonly observed to form salt bridges in non-homeotherms such as the Drosophila 'engrailed' homeodomain, by apolar residues further increases hydrophobic contacts within ZHX1 HD4, and potentially stability, relative to engrailed homeodomain. ZHX1 HD4 helix V points away from the normally

  15. Testing of a Single 11 T $Nb_3Sn$ Dipole Coil Using a Dipole Mirror Structure

    Energy Technology Data Exchange (ETDEWEB)

    Zlobin, Alexander [Fermilab; Andreev, Nicolai [Fermilab; Barzi, Emanuela [Fermilab; Chlachidze, Guram [Fermilab; Kashikhin, Vadim [Fermilab; Nobrega, Alfred [Fermilab; Novitski, Igor [Fermilab; Turrioni, Daniele [Fermilab; Karppinen, Mikko [CERN; Smekens, David [CERN

    2014-07-01

    FNAL and CERN are developing an 11 T Nb3Sn dipole suitable for installation in the LHC. To optimize coil design parameters and fabrication process and study coil performance, a series of 1 m long dipole coils is being fabricated. One of the short coils has been tested using a dipole mirror structure. This paper describes the dipole mirror magnetic and mechanical designs, and reports coil parameters and test results.

  16. Single-particle effects in fine structure of super-asymmetric fission

    International Nuclear Information System (INIS)

    Mirea, M.

    1999-01-01

    Energy spectrum measurements concerning the 14 C decay from 223 Ra revealed a fine structure with an intense branch on the excited state of the daughter 209 Pb. Apart the great number of microscopic--macroscopic attempts of different authors in describing this behavior (compiled recently), this phenomenon was explained quantitatively using the Landau--Zener effect, i.e., the promotion mechanism of a unpaired nucleon between two levels characterised by the same quantum numbers connected to some symmetries of the nuclear system in the region where an avoided level crossing is exhibited. The adiabatic levels during the super-asymmetric fission process were determined with a new version of the two--centre shell model especially constructed for very large mass--asymmetries. The half--lives are obtained in the framework of the Wentzel--Kramers--Brillouin approximation. The amount of the variation of the barrier height in the excited channels was estimated accounting the specialization energy which can be interpreted as the excess of the energy of a nucleon with a given spin over the energy for the same spin nucleon state of lowest energy. It is evidenced that the fine structure of cluster decay is due to two competitive effects: the Landau--Zener effect which enhances the probability to have an excited daughter in the final channel and the specialization energy which increases the potential barrier and therefore leads to a diminution of the penetrability. This formalism was used for predictions of the fine structure in the case of 14 C decay of 225 Ac and to explain the fine structure of alpha decay. (author)

  17. Single crystal growth and structure refinements of CsMxTe2-xO6 (M = Al, Ga, Ge, In) pyrochlores

    International Nuclear Information System (INIS)

    Siritanon, Theeranun; Sleight, A.W.; Subramanian, M.A.

    2011-01-01

    Graphical abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown and structure refinements indicate deviations from ideal stoichiometry presumably related to mixed valency of tellurium. Highlights: → Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown. → Structure refinements from single crystal X-ray diffraction data confirm e structure. → Deviations from ideal stoichiometry suggest mixed valency of tellurium and hence conductivity. -- Abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown from a TeO 2 flux. Structure refinements from single crystal X-ray diffraction data are reported. These results are used to discuss deviations from ideal stoichiometry that result in electronic conductivity presumably related to mixed valency of tellurium.

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

    Science.gov (United States)

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

    2018-05-01

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

  19. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  20. Detailed Investigation of the Structural, Thermal, and Electronic Properties of Gold Isocyanide Complexes with Mechano-Triggered Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

    Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Seki, Shu; Ito, Hajime

    2016-02-01

    Mechano-induced phase transitions in organic crystalline materials, which can alter their properties, have received much attention. However, most mechano-responsive molecular crystals exhibit crystal-to-amorphous phase transitions, and the intermolecular interaction patterns in the daughter phase are difficult to characterize. We have investigated phenyl(phenylisocyanide)gold(I) (1) and phenyl(3,5-dimethylphenylisocyanide)gold(I) (2) complexes, which exhibit a mechano-triggered single-crystal-to-single-crystal phase transition. Previous reports of complexes 1 and 2 have focused on the relationships between the crystalline structures and photoluminescence properties; in this work we have focused on other aspects. The face index measurements of complexes 1 and 2 before and after the mechano-induced phase transitions have indicated that they undergo non-epitaxial phase transitions without a rigorous orientational relationship between the mother and daughter phases. Differential scanning calorimetry analyses revealed the phase transition of complex 1 to be enthalpically driven by the formation of new aurophilic interactions. In contrast, the phase transition of complex 2 was found to be entropically driven, with the closure of an empty void in the mother phase. Scanning electron microscopy observation showed that the degree of the charging effect of both complexes 1 and 2 was changed by the phase transitions, which suggests that the formation of the aurophilic interactions affords more effective conductive pathways. Moreover, flash-photolysis time-resolved microwave conductivity measurements revealed that complex 1 increased in conductivity after the phase change, whereas the conductivity of complex 2 decreased. These contrasting results were explained by the different patterns in the aurophilic interactions. Finally, an intriguing disappearing polymorphism of complex 2 has been reported, in which a polymorph form could not be obtained again after some period of time

  1. Magneto-transport in CdTe/CdMnTe dilute magnetic semiconductor single barrier structures

    International Nuclear Information System (INIS)

    Lyons, V.R.

    1999-03-01

    This thesis presents work done on electrical transport through dilute magnetic semiconductor (DMS) single barriers in both zero and non-zero magnetic fields. The fields are applied either perpendicular or parallel to the DMS layers. The main samples under investigation consist of 100 A and 200 A CdTe/Cd 0.8 Mn 0.2 Te/CdTe single barrier heterostructures. In addition electrical characterisation of the non magnetic layers is performed. Current through the barrier is measured as a function of voltage, magnetic field and temperature. A theoretical model is derived in order to calculate the current as a function of barrier height, barrier width, emitting layer carrier concentration, applied bias and temperature. These variables are then treated as fitting parameters and comparisons are made between the calculated and the experimental currents. The barriers are shown to produce non-Ohmic transport. The roles of quantum mechanical tunnelling and thermal activation across the barrier are investigated and shown to be highly mixed. An unexpectedly high degree of tunnelling is found to occur at high temperatures, within the region previously assumed to be dominated by thermal activation. Moreover the barrier height is found to be lower and the width greater than expected. These observations suggest that a high level of Mn diffusion occurs, possibly due to In dopant related effects. This suggestion is validated by the high emitting layer carrier concentration suggested by the fitting. At low temperatures and voltages the thicker barrier sample is shown to contain a parasitic leak path which short-circuits the barrier. This leak may exist in both samples but only becomes dominant where the barriers are sufficiently opaque to the incident carriers. Changes in a magnetic field are expected to be due to sp-d exchange induced giant Zeeman splitting in the barrier and either normal spin splitting or sp-d exchange effects in the emitter regions. The application of a magnetic field is

  2. The structural and compositional analysis of single crystal surfaces using low energy ion scattering

    International Nuclear Information System (INIS)

    Armour, D.G.; Van der Berg, J.A.; Verheij, IL.K.

    1979-01-01

    The use of ion scattering for surface composition and structure analysis has been reviewed. The extreme surface specificity of this technique has been widely used to obtain quitative information in a straightforward way, but the/aolc/currence of charge exchange processes, thermal lattice vibrations and multiple scattering have precluded quantitative analysis of experimental data. Examples are quoted to illustrate the progress that has been made in understanding these fundamental processes and in applying this knowledge to the development of the analytical capabilities of the technique. (author)

  3. Spectral studies of 2-pyrazoline derivatives: structural elucidation through single crystal XRD and DFT calculations.

    Science.gov (United States)

    Chinnaraja, D; Rajalakshmi, R; Srinivasan, T; Velmurugan, D; Jayabharathi, J

    2014-04-24

    A series of biologically active N-thiocarbamoyl pyrazoline derivatives have been synthesized using anhydrous potassium carbonate as the catalyst. All the synthesized compounds were characterized by FT-IR, (1)H NMR, (13)C NMR spectral studies, LCMS, CHN Analysis and X-ray diffraction analysis (compound 7). In order to supplement the XRD parameters, molecular modelling was carried out by Gaussian 03W. From the optimized structure, the energy, dipolemoment and HOMO-LUMO energies of all the systems were calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Structural and electrical properties of organic stilbazolium single crystal of DSCHS

    Science.gov (United States)

    Sundaram, S. John; Raj, A. Antony; Ramaclus, Jerald V.; Sagayaraj, P.

    2016-05-01

    Organic nonlinear optical crystal 4-N, N-Dimethyl Amino-4'N'-Methyl-Stilbazolium 3-Carboxy-4-Hydroxy benzenesulfonate (DSCHS) has been successfully grown from aqueous methanol solution by adopting slow solvent evaporation technique. Chemical composition of the sample was confirmed by CHN analysis. Powder X-ray diffraction analysis was carried out and it shows that DSCHS crystal belongs to triclinic structure with Pl space group. It is found that this material exhibits positive photoconductivity. Dielectric studies were also carried out for different temperature by varying the frequency.

  5. Structural and electrical properties of organic stilbazolium single crystal of DSCHS

    International Nuclear Information System (INIS)

    Sundaram, S. John; Ramaclus, Jerald V.; Sagayaraj, P.; Raj, A. Antony

    2016-01-01

    Organic nonlinear optical crystal 4-N, N-Dimethyl Amino-4’N’-Methyl-Stilbazolium 3-Carboxy-4-Hydroxy benzenesulfonate (DSCHS) has been successfully grown from aqueous methanol solution by adopting slow solvent evaporation technique. Chemical composition of the sample was confirmed by CHN analysis. Powder X-ray diffraction analysis was carried out and it shows that DSCHS crystal belongs to triclinic structure with Pl space group. It is found that this material exhibits positive photoconductivity. Dielectric studies were also carried out for different temperature by varying the frequency.

  6. Investigations of structural, dielectric and optical properties on silicon ion irradiated glycine monophosphate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kanagasekaran, T. [Department of Physics, Anna University, Chennai 600 025 (India); Department of Physics and Astrophysics, University of Delhi, New Delhi 110 007 (India); Mythili, P. [Department of Physics, Anna University, Chennai 600 025 (India); Bhagavannarayana, G. [Materials Characterization Division, National Physical Laboratory, New Delhi 110012 (India); Kanjilal, D. [Inter University Accelerator Centre, New Delhi 110 067 (India); Gopalakrishnan, R. [Department of Physics, Anna University, Chennai 600 025 (India)], E-mail: krgkrishnan@annauniv.edu

    2009-08-01

    The 50 MeV silicon ion irradiation induced modifications on structural, optical and dielectric properties of solution grown glycine monophosphate (GMP) crystals were studied. The high-resolution X-ray diffraction study shows the unaltered value of integrated intensity on irradiation. The dielectric constant as a function of frequency and temperature was studied. UV-visible studies reveal the decrease in bandgap values on irradiation and presence of F-centers. The fluorescence spectrum shows the existence of some energy levels, which remains unaffected after irradiation. The scanning electron micrographs reveal the defects formed on irradiation.

  7. Structural, mechanical and light yield characterisation of heat treated LYSO:Ce single crystals for medical imaging applications

    CERN Document Server

    Mengucci, P; Auffray, E; Barucca, G; Cecchi, C; Chipaux, R; Cousson, A; Davì, F; Di Vara, N; Rinaldi, D; Santecchia, E

    2015-01-01

    Five single crystals of cerium-doped lutetium yttrium oxyorthosilicate (LYSO:Ce) grown by the Czochralski method were submitted to structural characterisation by X-ray (XRD) and neutron (ND) diffraction, scanning (SEM) and transmission (TEM) electron microscopy and energy dispersive microanalysis (EDS). The Ultimate Tensile Strength (UTS), the Young Modulus (YM) and the Light Yield (LY) of the samples were also measured in order to correlate the mechanical and the optical behaviour of the crystals with the characteristics of their microstructure. Two of the samples analysed were also heat treated at 300 °C for 10 h to evidence possible variations induced by the temperature in the optical and mechanical response of the crystals. Results showed that the mean compositional variations evidenced by the structural analyses do not affect the mechanical and optical behaviour of the samples. On the contrary, the thermal treatment could induce the formation of coherent spherical particles (size 10 to 15 nm), not unifo...

  8. Comparison of slowness profiles of lamb wave with elastic moduli and crystal structure in single crystalline silicon wafers

    Energy Technology Data Exchange (ETDEWEB)

    Min, Young Jae; Yun, Gyeong Won; Kim, Kyung Min; Roh, Yuji; Kim, Young H. [Applied Acoustics Lab, Korea Science Academy of KAIST, Busan (Korea, Republic of)

    2016-02-15

    Single crystalline silicon wafers having (100), (110), and (111) directions are employed as specimens for obtaining slowness profiles. Leaky Lamb waves (LLW) from immersed wafers were detected by varying the incident angles of the specimens and rotating the specimens. From an analysis of LLW signals for different propagation directions and phase velocities of each specimen, slowness profiles were obtained, which showed a unique symmetry with different symmetric axes. Slowness profiles were compared with elastic moduli of each wafer. They showed the same symmetries as crystal structures. In addition, slowness profiles showed expected patterns and values that can be inferred from elastic moduli. This implies that slowness profiles can be used to examine crystal structures of anisotropic solids.

  9. Population structure of pigs determined by single nucleotide polymorphisms observed in assembled expressed sequence tags.

    Science.gov (United States)

    Matsumoto, Toshimi; Okumura, Naohiko; Uenishi, Hirohide; Hayashi, Takeshi; Hamasima, Noriyuki; Awata, Takashi

    2012-01-01

    We have collected more than 190000 porcine expressed sequence tags (ESTs) from full-length complementary DNA (cDNA) libraries and identified more than 2800 single nucleotide polymorphisms (SNPs). In this study, we tentatively chose 222 SNPs observed in assembled ESTs to study pigs of different breeds; 104 were selected by comparing the cDNA sequences of a Meishan pig and samples of three-way cross pigs (Landrace, Large White, and Duroc: LWD), and 118 were selected from LWD samples. To evaluate the genetic variation between the chosen SNPs from pig breeds, we determined the genotypes for 192 pig samples (11 pig groups) from our DNA reference panel with matrix-assisted laser desorption ionization time-of-flight mass spectrometry. Of the 222 reference SNPs, 186 were successfully genotyped. A neighbor-joining tree showed that the pig groups were classified into two large clusters, namely, Euro-American and East Asian pig populations. F-statistics and the analysis of molecular variance of Euro-American pig groups revealed that approximately 25% of the genetic variations occurred because of intergroup differences. As the F(IS) values were less than the F(ST) values(,) the clustering, based on the Bayesian inference, implied that there was strong genetic differentiation among pig groups and less divergence within the groups in our samples. © 2011 The Authors. Animal Science Journal © 2011 Japanese Society of Animal Science.

  10. Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

    Science.gov (United States)

    Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

    2001-05-01

    Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

  11. Electrospun single-walled carbon nanotube/polyvinyl alcohol composite nanofibers: structure-property relationships

    International Nuclear Information System (INIS)

    Naebe, Minoo; Lin Tong; Wang Xungai; Staiger, Mark P; Dai Liming

    2008-01-01

    Polyvinyl alcohol (PVA) nanofibers and single-walled carbon nanotube (SWNT)/PVA composite nanofibers have been produced by electrospinning. An apparent increase in the PVA crystallinity with a concomitant change in its main crystalline phase and a reduction in the crystalline domain size were observed in the SWNT/PVA composite nanofibers, indicating the occurrence of a SWNT-induced nucleation crystallization of the PVA phase. Both the pure PVA and SWNT/PVA composite nanofibers were subjected to the following post-electrospinning treatments: (i) soaking in methanol to increase the PVA crystallinity, and (ii) cross-linking with glutaric dialdehyde to control the PVA morphology. Effects of the PVA morphology on the tensile properties of the resultant electrospun nanofibers were examined. Dynamic mechanical thermal analyses of both pure PVA and SWNT/PVA composite electrospun nanofibers indicated that SWNT-polymer interaction facilitated the formation of crystalline domains, which can be further enhanced by soaking the nanofiber in methanol and/or cross-linking the polymer with glutaric dialdehyde

  12. The structure of single-phase turbulent flows through closely spaced rod arrays

    International Nuclear Information System (INIS)

    Hooper, J.D.; Rehme, K.

    1983-02-01

    The axial and azimuthal turbulence intensity in the rod gap region has been shown, for developed single-phase turbulent flow through parallel rod arrays, to strongly increase with decreasing rod spacing. Two array geometries are reported, one constructed from a rectangular cross-section duct containing four rods and spaced at five p/d or w/d ratios. The second test section, constructed from six rods set in a regular square-pitch array, represented the interior flow region of a large array. The mean axial velocity, wall shear stress variation and axial pressure distribution were measured, together with hot-wire anemometer measurements of the Reynolds stresses. No significant non-zero secondary flow components were detected, using techniques capable of resolving secondary flow velocities to 1% of the local axial velocity. For the lowest p/d ratio of 1.036, cross-correlation measurements showed the presence of an energetic periodic azimuthal turbulent velocity component, correlated over a significant part of the flow area. The negligible contribution of secondary flows to the axial momentum balance, and the large azimuthal turbulent velocity component in the rod gap area, suggest a different mechanism than Reynolds stress gradient driven secondary flows for the turbulent transport process in the rod gap. (orig.) [de

  13. Design, structural investigation and physicochemical properties of benzotriazolium m-nitrophthalate monohydrate single crystals

    Science.gov (United States)

    Mekala, R.; Mani, Rajaboopathi; Jagdish, P.; Mathammal, R.

    2018-04-01

    The single crystals of organic salt benzotriazolium m-nitrophthalate monohydrate were grown by slow evaporation technique. It crystallizes in orthorhombic system with space group Pbca. The molecular interactions of the compound have been pictured using Hirshfeld surfaces and fingerprints plots and the results were compared with BZD+·mNPA-. The functional groups were identified by FTIR and FT-Raman spectra. The proton transfer from acid to base was identified from the 1H and 13C NMR spectra. The absorption and emission spectrum of BTA+·mNPA-·H2O was recorded in aqueous solution and different solvents, respectively The HOMO and LUMO energy gap of benzotriazole and BTA+·mNPA-·H2O were calculated using density functional theory (DFT). The thermal stability and melting point of hydrated salt was analysed and compared by TG-DTG/DSC study. The anti-oxidant activity of the title compound was evaluated by DPPH and ABTS+ Radical scavenging assay. The anti-microbial and anti-cancer activity showed a potential impact in the crystal.

  14. Single crystalline electronic structure and growth mechanism of aligned square graphene sheets

    Directory of Open Access Journals (Sweden)

    H. F. Yang

    2018-03-01

    Full Text Available Recently, commercially available copper foil has become an efficient and inexpensive catalytic substrate for scalable growth of large-area graphene films for fundamental research and applications. Interestingly, despite its hexagonal honeycomb lattice, graphene can be grown into large aligned square-shaped sheets on copper foils. Here, by applying angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES to study the three-dimensional electronic structures of square graphene sheets grown on copper foils, we verified the high quality of individual square graphene sheets as well as their merged regions (with aligned orientation. Furthermore, by simultaneously measuring the graphene sheets and their substrate copper foil, we not only established the (001 copper surface structure but also discovered that the square graphene sheets’ sides align with the ⟨110⟩ copper direction, suggesting an important role of copper substrate in the growth of square graphene sheets—which will help the development of effective methods to synthesize high-quality large-size regularly shaped graphene sheets for future applications. This work also demonstrates the effectiveness of micro-ARPES in exploring low-dimensional materials down to atomic thickness and sub-micron lateral size (e.g., besides graphene, it can also be applied to transition metal dichalcogenides and various van der Waals heterostructures

  15. Single crystalline electronic structure and growth mechanism of aligned square graphene sheets

    Science.gov (United States)

    Yang, H. F.; Chen, C.; Wang, H.; Liu, Z. K.; Zhang, T.; Peng, H.; Schröter, N. B. M.; Ekahana, S. A.; Jiang, J.; Yang, L. X.; Kandyba, V.; Barinov, A.; Chen, C. Y.; Avila, J.; Asensio, M. C.; Peng, H. L.; Liu, Z. F.; Chen, Y. L.

    2018-03-01

    Recently, commercially available copper foil has become an efficient and inexpensive catalytic substrate for scalable growth of large-area graphene films for fundamental research and applications. Interestingly, despite its hexagonal honeycomb lattice, graphene can be grown into large aligned square-shaped sheets on copper foils. Here, by applying angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES) to study the three-dimensional electronic structures of square graphene sheets grown on copper foils, we verified the high quality of individual square graphene sheets as well as their merged regions (with aligned orientation). Furthermore, by simultaneously measuring the graphene sheets and their substrate copper foil, we not only established the (001) copper surface structure but also discovered that the square graphene sheets' sides align with the ⟨110⟩ copper direction, suggesting an important role of copper substrate in the growth of square graphene sheets—which will help the development of effective methods to synthesize high-quality large-size regularly shaped graphene sheets for future applications. This work also demonstrates the effectiveness of micro-ARPES in exploring low-dimensional materials down to atomic thickness and sub-micron lateral size (e.g., besides graphene, it can also be applied to transition metal dichalcogenides and various van der Waals heterostructures)

  16. Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

    KAUST Repository

    Komesu, Takashi

    2016-08-24

    The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region. © 2016 American Chemical Society.

  17. Structural brain abnormalities in a single gene disorder associated with epilepsy, language impairment and intellectual disability

    Directory of Open Access Journals (Sweden)

    Joe Bathelt

    2016-01-01

    Full Text Available Childhood speech and language deficits are highly prevalent and are a common feature of neurodevelopmental disorders. However, it is difficult to investigate the underlying causal pathways because many diagnostic groups have a heterogeneous aetiology. Studying disorders with a shared genetic cause and shared cognitive deficits can provide crucial insight into the cellular mechanisms and neural systems that give rise to those impairments. The current study investigated structural brain differences of individuals with mutations in ZDHHC9, which is associated with a specific neurodevelopmental phenotype including prominent speech and language impairments and intellectual disability. We used multiple structural neuroimaging methods to characterise neuroanatomy in this group, and observed bilateral reductions in cortical thickness in areas surrounding the temporo-parietal junction, parietal lobule, and inferior frontal lobe, and decreased microstructural integrity of cortical, subcortical-cortical, and interhemispheric white matter projections. These findings are compared to reports for other genetic groups and genetically heterogeneous disorders with a similar presentation. Overlap in the neuroanatomical phenotype suggests a common pathway that particularly affects the development of temporo-parietal and inferior frontal areas, and their connections.

  18. Comparison of single distance phase retrieval algorithms by considering different object composition and the effect of statistical and structural noise.

    Science.gov (United States)

    Chen, R C; Rigon, L; Longo, R

    2013-03-25

    Phase retrieval is a technique for extracting quantitative phase information from X-ray propagation-based phase-contrast tomography (PPCT). In this paper, the performance of different single distance phase retrieval algorithms will be investigated. The algorithms are herein called phase-attenuation duality Born Algorithm (PAD-BA), phase-attenuation duality Rytov Algorithm (PAD-RA), phase-attenuation duality Modified Bronnikov Algorithm (PAD-MBA), phase-attenuation duality Paganin algorithm (PAD-PA) and phase-attenuation duality Wu Algorithm (PAD-WA), respectively. They are all based on phase-attenuation duality property and on weak absorption of the sample and they employ only a single distance PPCT data. In this paper, they are investigated via simulated noise-free PPCT data considering the fulfillment of PAD property and weakly absorbing conditions, and with experimental PPCT data of a mixture sample containing absorbing and weakly absorbing materials, and of a polymer sample considering different degrees of statistical and structural noise. The simulation shows all algorithms can quantitatively reconstruct the 3D refractive index of a quasi-homogeneous weakly absorbing object from noise-free PPCT data. When the weakly absorbing condition is violated, the PAD-RA and PAD-PA/WA obtain better result than PAD-BA and PAD-MBA that are shown in both simulation and mixture sample results. When considering the statistical noise, the contrast-to-noise ratio values decreases as the photon number is reduced. The structural noise study shows that the result is progressively corrupted by ring-like artifacts with the increase of structural noise (i.e. phantom thickness). The PAD-RA and PAD-PA/WA gain better density resolution than the PAD-BA and PAD-MBA in both statistical and structural noise study.

  19. Investigations on the formation of frost on lamella heat-exchangers used in heat pumps; LOREF: Luftkuehler-Optimierung mit Reduktion von Eis- und Frostbildung. Untersuchung der Frostbildung fuer Lamellenluftkuehler von Waermepumpen

    Energy Technology Data Exchange (ETDEWEB)

    Sahinagic, R.; Imholz, M.; Berlinger, L.; Huber, H.; Hilfiker, K. [Hochschule fuer Technik und Architektur (HTA) Lucerne, Institut fuer Produktentwicklung, Thermische Verfahren und Anlagen (TVA), Horw (Switzerland)

    2004-07-01

    This comprehensive final report presents the results of the LOREF project carried out at the University of Applied Science in Horw, Switzerland, on the formation of frost on lamella air-coolers used in heat pumps. The report presents the results of extensive tests on the formation of frost on the lamella of the heat exchangers used in air-water heat pumps. The mathematical relationships and the theory behind the formation of frost on cooled surfaces are discussed in detail. The results of numerical simulations and practical tests are presented. The practical tests involved the observation of ice and frost formation on various surface forms. The results of the physical tests and observations are quoted in detail. The mathematical modelling method used and the associated results are discussed. The report is rounded off with an appendix containing tables, diagrams and photos.

  20. Studies on microphase-separated structures of block copolymers by neutron reflectivity measurement

    International Nuclear Information System (INIS)

    Torikai, Naoya; Noda, Ichiro; Matsushita, Yushu; Karim, A.; Satija, S.K.; Han, C.C.; Ebisawa, Toru.

    1996-01-01

    Segmental distributions of block copolymer chains in lamellar microphase-separated structure and those of homopolymers in block copolymer/homopolymer blends also with lamellar structures were studied by neutron reflectivity measurements. It was revealed that polystyrene and poly(2-vinylpyridine) lamellae were alternately stacked within the thin films of pure block copolymers spin-coated on silicon wafers, and they were preferentially oriented along the direction parallel to film surface. Polystyrene lamella appeared at air surfaces of the films, while poly(2-vinylpyridine) lamella did on silicon surfaces. Segment distribution at lamellar interface was well described by an error function, and the width of the lamellar interface, defined by a full-width half-maximum value of interfacial profile, was estimated to be about 4.5 nm. Segments of block chains adjacent to the chemical junction points connecting different block chains were strongly localized near the lamellar interfaces, while those on the free ends of block chains were distributed all over the lamellar microdomains with their distribution maxima at the centers of lamellae. On the other hand, it was clarified that homopolymers dissolved in the corresponding lamellar microdomains of block copolymers were also distributed throughout the microdomains with their concentration maxima at the centers of the lamellae. (author)

  1. Theoretical and experimental study on active sound transmission control based on single structural mode actuation using point force actuators.

    Science.gov (United States)

    Sanada, Akira; Tanaka, Nobuo

    2012-08-01

    This study deals with the feedforward active control of sound transmission through a simply supported rectangular panel using vibration actuators. The control effect largely depends on the excitation method, including the number and locations of actuators. In order to obtain a large control effect at low frequencies over a wide frequency, an active transmission control method based on single structural mode actuation is proposed. Then, with the goal of examining the feasibility of the proposed method, the (1, 3) mode is selected as the target mode and a modal actuation method in combination with six point force actuators is considered. Assuming that a single input single output feedforward control is used, sound transmission in the case minimizing the transmitted sound power is calculated for some actuation methods. Simulation results showed that the (1, 3) modal actuation is globally effective at reducing the sound transmission by more than 10 dB in the low-frequency range for both normal and oblique incidences. Finally, experimental results also showed that a large reduction could be achieved in the low-frequency range, which proves the validity and feasibility of the proposed method.

  2. Growth, structural, thermal, dielectric and nonlinear optical properties of potassium hexachloro cadmate (IV) a novel single crystal

    Science.gov (United States)

    Umarani, P.; Jagannathan, K.

    2018-02-01

    The Potassium hexachloro cadmate (IV) (PHC) single crystal was grown from the aqueous of the solution by a controlled evaporation method. Single crystal XRD solved the structure. FTIR is used to identify the functional groups of grown crystal. The UV-Vis-NIR spectrometer was used to find out the UV cut off region and to calculate the optical band gap of the Potassium hexachloro cadmate (IV) single crystal. The EDAX spectrum has been used to identify the compounds present in title compound. The TG-DTA profile shows the thermal stability of the grown crystal of Potassium hexachloro cadmate (IV). The Vicker's hardness measurement was used to calculate the material hardness of the title compound. The dielectric loss and constant varied with frequencies and activation energy is also calculated. The solid state parameters like plasma energy, Penn gap, Fermi energy, electronic polarizability using Penn analysis and Clausius-Mossotti equation were also calculated for the title compound. The Z-scan technique is used to calculate the third order nonlinear susceptibility of a real and imaginary part.

  3. Structural Differentiation between Layered Single (Ni) and Double Metal Hydroxides (Ni–Al LDHs) Using Wavelet Transformation

    Energy Technology Data Exchange (ETDEWEB)

    Siebecker, Matthew G. [University of Delaware, Delaware Environmental Institute; Sparks, Donald L. [University of Delaware, Delaware Environmental Institute

    2017-09-07

    Layered double hydroxides (LDHs) are anionic clays important in disciplines such as environmental chemistry, geochemistry, and materials science. Developments in signal processing of extended X-ray absorption fine structure (EXAFS) data, such as wavelet transformation (WT), have been used to identify transition metals and Al present in the hydroxide sheets of LDHs. The WT plots of LDHs should be distinct from those of isostructural single metal hydroxides. However, no direct comparison of these minerals appears in the literature using WT. This work systematically analyzes a suite of Ni-rich mineral standards, including Ni–Al LDHs, single metal Ni hydroxides, and Ni-rich silicates using WT. The results illustrate that the WT plots for α-Ni(OH)2 and Ni–Al LDHs are often indistinguishable from each other, with similar two-component plots for the different mineral types. This demonstrates that the WT of the first metal shell often cannot be used to differentiate an LDH from a single metal hydroxide. Interlayer anions adsorbed to the hydroxide sheet of α-Ni(OH)2 affect the EXAFS spectra and are not visible in the FT but are clearly resolved and discrete in the WT.

  4. Determining stocks and flows of structural wood products in single family homes in the United States between 1950 and 2010

    DEFF Research Database (Denmark)

    Sianchuk, Robert A.; McFarlane, Paul N.; Ackom, Emmanuel

    2012-01-01

    The stocks and flows of six major structural wood products (SWPs)-lumber, plywood, oriented strand board [OSB], glue laminated timber, I-joists, and laminated veneer lumber (LVL)-in US single family homes were modeled from 1950 to 2010. The consumption of these products in US single family homes...... and their emissions as construction and demolition wastes were estimated. The net consumption of SWPs decreased from 119 kg/m2 constructed in 1986 to 82 kg/m2 in 2010. Softwood lumber was consistently the predominant SWP, but its usage intensity decreased from 95 kg/m2 in 1986 to 52 kg/ m2 in 2010. Since the 1980s......, modern SWPs, such as I-joists, LVL, and OSB, have replaced lumber and plywood products. The needs of the US single family housing industry have been met by a smaller mass of SWPs per unit area constructed. The mass of SWP present in construction wastes was influenced strongly by building cycles...

  5. Structure-Guided, Single-Point Modifications in the Phosphinic Dipeptide Structure Yield Highly Potent and Selective Inhibitors of Neutral Aminopeptidases

    Energy Technology Data Exchange (ETDEWEB)

    Vassiliou, Stamatia; Węglarz-Tomczak, Ewelina; Berlicki, Łukasz; Pawełczak, Małgorzata; Nocek, Bogusław; Mulligan, Rory; Joachimiak, Andrzej; Mucha, Artur

    2014-10-09

    Seven crystal structures of alanyl aminopeptidase from Neisseria meningitides (the etiological agent of meningitis, NmAPN) complexed with organophosphorus compounds were resolved to determine the optimal inhibitor-enzyme interactions. The enantiomeric phosphonic acid analogs of Leu and hPhe, which correspond to the P1 amino acid residues of well-processed substrates, were used to assess the impact of the absolute configuration and the stereospecific hydrogen bond network formed between the aminophosphonate polar head and the active site residues on the binding affinity. For the hPhe analog, an imperfect stereochemical complementarity could be overcome by incorporating an appropriate P1 side chain. The constitution of P1'-extended structures was rationally designed and the lead, phosphinic dipeptide hPhePψ[CH2]Phe, was modified in a single position. Introducing a heteroatom/heteroatom-based fragment to either the P1 or P1' residue required new synthetic pathways. The compounds in the refined structure were low nanomolar and subnanomolar inhibitors of N. meningitides, porcine and human APNs, and the reference leucine aminopeptidase (LAP). The unnatural phosphinic dipeptide analogs exhibited a high affinity for monozinc APNs associated with a reasonable selectivity versus dizinc LAP. Another set of crystal structures containing the NmAPN dipeptide ligand were used to verify and to confirm the predicted binding modes; furthermore, novel contacts, which were promising for inhibitor development, were identified, including a π-π stacking interaction between a pyridine ring and Tyr372.

  6. Pb1–xMnxTe single crystals and their structural properties

    Directory of Open Access Journals (Sweden)

    NEBOJSA ROMCEVIC

    2004-12-01

    Full Text Available Pb1-xMnxTe crystals were grown by the vertical Bridgman method. Their structural properties were observed both by optical microscopy after chemical polishing and ething, and by X-ray powder diffraction analysis. A solution of 5 vol. % Br2 in HBr at room temperatur, for an exposure of 2 min was determined for chemical polishing. A solution of 20 g KOH in 1 ml H2O2, 2 ml glycerol (C3H8O3, and 20 ml H2O at room temperature for an exposure for 6 min was found to be a suitable etching solution. The obtained results are discussed and compared with published data.

  7. Single-field consistency relations of large scale structure part III: test of the equivalence principle

    Energy Technology Data Exchange (ETDEWEB)

    Creminelli, Paolo [Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, Trieste, 34151 (Italy); Gleyzes, Jérôme; Vernizzi, Filippo [CEA, Institut de Physique Théorique, Gif-sur-Yvette cédex, F-91191 France (France); Hui, Lam [Physics Department and Institute for Strings, Cosmology and Astroparticle Physics, Columbia University, New York, NY, 10027 (United States); Simonović, Marko, E-mail: creminel@ictp.it, E-mail: jerome.gleyzes@cea.fr, E-mail: lhui@astro.columbia.edu, E-mail: msimonov@sissa.it, E-mail: filippo.vernizzi@cea.fr [SISSA, via Bonomea 265, Trieste, 34136 (Italy)

    2014-06-01

    The recently derived consistency relations for Large Scale Structure do not hold if the Equivalence Principle (EP) is violated. We show it explicitly in a toy model with two fluids, one of which is coupled to a fifth force. We explore the constraints that galaxy surveys can set on EP violation looking at the squeezed limit of the 3-point function involving two populations of objects. We find that one can explore EP violations of order 10{sup −3}÷10{sup −4} on cosmological scales. Chameleon models are already very constrained by the requirement of screening within the Solar System and only a very tiny region of the parameter space can be explored with this method. We show that no violation of the consistency relations is expected in Galileon models.

  8. Single-impact calibrated electromagnetic tightening of long-life bolted joints in aviation structures

    Science.gov (United States)

    Firsov, V. A.; Bekhmet'ev, V. I.

    The general design and operation of a newly developed electromagnetic impact driver for the assembly of aviation structures is described. The electromagnetic impact driver makes it possible to considerably improve the precision of bolt torquing during the assembly. To test the performance of the new tool, M6 bolts of 16KhSN steel (tensile strength 120 +/- 10 kg/sq mm) were tightened by a manual torque wrench and by the electromagnetic impact driver. It is shown that the scatter of bolt elongation during the tightening by the impact driver is a factor of 3-5 less than in the case of manual torquing, which corresponds to a torque precision of 1.5-2 percent.

  9. Chromatic dispersion compensation and Coherent Direct-Sequence OCDMA operation on a single super structured FBG.

    Science.gov (United States)

    Baños, Rocío; Pastor, Daniel; Amaya, Waldimar; Garcia-Munoz, Victor

    2012-06-18

    We have proposed, fabricated and demonstrated experimentally a set of Coherent Direct Sequence-OCDMA en/decoders based on Super Structured Fiber Bragg Gratings (SSFBGs) which are able to compensate the fiber chromatic dispersion at the same time that they perform the en/decoding task. The proposed devices avoid the use of additional dispersion compensation stages reducing system complexity and losses. This performance was evaluated for 5.4, 11.4 and 16.8 km of SSMF. The twofold performance was verified in Low Reflectivity regime employing only one GVD compensating device at decoder or sharing out the function between encoder and decoder devices. Shared functionality requires shorter SSFBGs designs and also provides added flexibility to the optical network design. Moreover, dispersion compensated en/decoders were also designed into the High Reflectivity regime employing synthesis methods achieving more than 9 dB reduction of insertion loss for each device.

  10. Swing-arm beam erector (SABER) concept for single astronaut assembly of space structure

    Science.gov (United States)

    Watson, J. J.; Heard, W. L., Jr.; Jensen, J. K.

    1985-01-01

    Results are presented of tests conducted to evaluate a mobile work station/assembly fixture concept that would mechanically assist an astronaut in the on-orbit manual assembly of erectable truss-beams. The concept eliminates astronaut manual translation by use of a motorized work platform with foot restraints. The tests involved assembly of a tetrahedral truss-beam by a test subject in simulated zero gravity (neutral bouyancy in water). A three-bay truss-beam was assembled from 30 aluminum struts with quick-attachment structural joints. The results show that average on-orbit assembly rates of 2.1 struts per minute can be expected for struts of the size employed in these tests.

  11. Aging-driven decomposition in zolpidem hemitartrate hemihydrate and the single-crystal structure of its decomposition products.

    Science.gov (United States)

    Vega, Daniel R; Baggio, Ricardo; Roca, Mariana; Tombari, Dora

    2011-04-01

    The "aging-driven" decomposition of zolpidem hemitartrate hemihydrate (form A) has been followed by X-ray powder diffraction (XRPD), and the crystal and molecular structures of the decomposition products studied by single-crystal methods. The process is very similar to the "thermally driven" one, recently described in the literature for form E (Halasz and Dinnebier. 2010. J Pharm Sci 99(2): 871-874), resulting in a two-phase system: the neutral free base (common to both decomposition processes) and, in the present case, a novel zolpidem tartrate monohydrate, unique to the "aging-driven" decomposition. Our room-temperature single-crystal analysis gives for the free base comparable results as the high-temperature XRPD ones already reported by Halasz and Dinnebier: orthorhombic, Pcba, a = 9.6360(10) Å, b = 18.2690(5) Å, c = 18.4980(11) Å, and V = 3256.4(4) Å(3) . The unreported zolpidem tartrate monohydrate instead crystallizes in monoclinic P21 , which, for comparison purposes, we treated in the nonstandard setting P1121 with a = 20.7582(9) Å, b = 15.2331(5) Å, c = 7.2420(2) Å, γ = 90.826(2)°, and V = 2289.73(14) Å(3) . The structure presents two complete moieties in the asymmetric unit (z = 4, z' = 2). The different phases obtained in both decompositions are readily explained, considering the diverse genesis of both processes. Copyright © 2010 Wiley-Liss, Inc.

  12. In silico predictions of LH2 ring sizes from the crystal structure of a single subunit using molecular dynamics simulations.

    Science.gov (United States)

    Janosi, Lorant; Keer, Harindar; Cogdell, Richard J; Ritz, Thorsten; Kosztin, Ioan

    2011-07-01

    Most of the currently known light-harvesting complexes 2 (LH2) rings are formed by 8 or 9 subunits. As of now, questions like "what factors govern the LH2 ring size?" and "are there other ring sizes possible?" remain largely unanswered. Here, we investigate by means of molecular dynamics (MD) simulations and stochastic modeling the possibility of predicting the size of an LH2 ring from the sole knowledge of the high resolution crystal structure of a single subunit. Starting with single subunits of two LH2 rings with known size, that is, an 8-ring from Rs. moliscianum (MOLI) and a 9-ring from Rps. acidophila (ACI), and one with unknown size (referred to as X), we build atomic models of subunit dimers corresponding to assumed 8-, 9-, and 10-ring geometries. After inserting each of the dimers into a lipid-water environment, we determine the preferred angle between the corresponding subunits by three methods: (1) energy minimization, (2) free MD simulations, and (3) potential of mean force calculations. We find that the results from all three methods are consistent with each other, and when taken together, it allows one to predict with reasonable level of confidence the sizes of the corresponding ring structures. One finds that X and ACI very likely form a 9-ring, while MOLI is more likely to form an 8-ring than a 9-ring. Finally, we discuss both the merits and limitations of all three prediction methods. Copyright © 2011 Wiley-Liss, Inc.

  13. Thermal and structural performance of a single tube support post for the Superconducting Super Collider dipole magnet cryostat

    International Nuclear Information System (INIS)

    Boroski, W.N.; Nicol, T.H.; Ruschman, M.K.; Schoo, C.J.

    1993-07-01

    The reentrant support post currently incorporated in the Superconducting Super Collider (SSC) dipole cryostat has been shown to meet the structural and thermal requirements of the cryostat, both in prototype magnet assemblies and through component testing. However, the reentrant post design has two major drawbacks: tight dimensional control on all components, and cost driven by these tolerance constraints and a complex assembly procedure. A single tube support post has been developed as an alternative to the reentrant post design. Several prototype assemblies have been fabricated and subjected to structural testing. Compressive, tensile, and bending forces were applied to each assembly with deflection measured at several locations. A prototype support post has also been thermally evaluated in a heat leak measurement facility. Heat load to 4.2 K was measured with the intermediate post intercept operating at various temperatures while thermometers positioned along the conductive path of the post mapped thermal gradients. Results from these measurements indicate the single tube support post meets the design criteria for the SSC dipole magnet cryostat support system

  14. Holography and coherent diffraction with low-energy electrons: A route towards structural biology at the single molecule level.

    Science.gov (United States)

    Latychevskaia, Tatiana; Longchamp, Jean-Nicolas; Escher, Conrad; Fink, Hans-Werner

    2015-12-01

    The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept aiming at structural analysis at the single molecule level. We show that by combining electron holography and coherent diffraction imaging estimations concerning the phase of the scattered wave become needless as the phase information is extracted from the data directly and unambiguously. Performed with low-energy electrons the resolution of this lens-less microscope is just limited by the De Broglie wavelength of the electron wave and the numerical aperture, given by detector geometry. In imaging freestanding graphene, a resolution of 2Å has been achieved revealing the 660.000 unit cells of the graphene sheet from a single data set. Once applied to individual biomolecules the method shall ultimately allow for non-destructive imaging and imports the potential to distinguish between different conformations of proteins with atomic resolution. Copyright © 2015. Published by Elsevier B.V.

  15. Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.

    Science.gov (United States)

    Mansbach, Rachael A; Ferguson, Andrew L

    2015-03-14

    The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

  16. Chemical Structure, Ensemble and Single-Particle Spectroscopy of Thick-Shell InP-ZnSe Quantum Dots.

    Science.gov (United States)

    Reid, Kemar R; McBride, James R; Freymeyer, Nathaniel J; Thal, Lucas B; Rosenthal, Sandra J

    2018-02-14

    Thick-shell (>5 nm) InP-ZnSe colloidal quantum dots (QDs) grown by a continuous-injection shell growth process are reported. The growth of a thick crystalline shell is attributed to the high temperature of the growth process and the relatively low lattice mismatch between the InP core and ZnSe shell. In addition to a narrow ensemble photoluminescence (PL) line-width (∼40 nm), ensemble and single-particle emission dynamics measurements indicate that blinking and Auger recombination are reduced in these heterostructures. More specifically, high single-dot ON-times (>95%) were obtained for the core-shell QDs, and measured ensemble biexciton lifetimes, τ 2x ∼ 540 ps, represent a 7-fold increase compared to InP-ZnS QDs. Further, high-resolution energy dispersive X-ray (EDX) chemical maps directly show for the first time significant incorporation of indium into the shell of the InP-ZnSe QDs. Examination of the atomic structure of the thick-shell QDs by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) reveals structural defects in subpopulations of particles that may mitigate PL efficiencies (∼40% in ensemble), providing insight toward further synthetic refinement. These InP-ZnSe heterostructures represent progress toward fully cadmium-free QDs with superior photophysical properties important in biological labeling and other emission-based technologies.

  17. Electronic structure and lattice dynamics at the interface of single layer FeSe and SrTiO3

    Science.gov (United States)

    Ahmed, Towfiq; Balatsky, Alexander; Zhu, Jian-Xin

    Recent discovery of high-temperature superconductivity with the superconducting energy gap opening at temperatures close to or above the liquid nitrogen boiling point in the single-layer FeSe grown on SrTiO3 has attracted significant interest. It suggests that the interface effects can be utilized to enhance the superconductivity. It has been shown recently that the coupling between the electrons in FeSe and vibrational modes at the interface play an important role. Here we report on a detailed study of electronic structure and lattice dynamics in the single-layer FeSe/SrTiO3 interface by using the state-of-art electronic structure method within the density functional theory. The nature of the vibrational modes at the interface and their coupling to the electronic degrees of freedom are analyzed. In addition, the effect of hole and electron doping in SrTiO3 on the electron-mode coupling strength is also considered. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396, and was supported by the DOE Office of Basic Energy Sciences.

  18. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    Science.gov (United States)

    Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

    2016-10-01

    The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

  19. Misfortunes never come singly: Structural change, multiple shocks and child malnutrition in rural Senegal.

    Science.gov (United States)

    Lazzaroni, Sara; Wagner, Natascha

    2016-12-01

    This study considers the two most pronounced shocks Senegalese subsistence farmers struggle with, namely increasing purchase prices and droughts. We assess the relationship of these self-reported shocks with child health in a multi-shock approach to account for concomitance of adverse events from the natural, biological, economic and health sphere. We employ a unique farming household panel dataset containing information on children living in poor, rural households in eight regions of Senegal in 2009 and 2011 and account for structural changes occurring between survey periods due to the large scale, national Nutrition Enhancement Program. By zooming in to the micro level we demonstrate that Senegal as a Sahelian country, mainly reliant on subsistence agriculture, is very vulnerable to climate variability and international price developments: According to our conservative estimates, the occurrence of a drought explains 25% of the pooled weight-for-age standard deviation, income losses 31%. Our multi-shock analysis reveals that the shocks are perceived as more severe in 2011 with droughts explaining up to 44% of the standard deviation of child health, increased prices up to 21%. Yet, the concomitance of droughts and increased prices after the structural change, i.e. the Nutrition Enhancement Program, indicates that the health of children experiencing both shocks in 2011 has improved. We argue that these results are driven by the increase in rural household income as theoretically outlined in the agricultural household model. Thus, adequate policy responses to shocks do not only depend on the nature but also on the concomitance of hazardous events. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. New in protein structure and function annotation: hotspots, single nucleotide polymorphisms and the 'Deep Web'.

    Science.gov (United States)

    Bromberg, Yana; Yachdav, Guy; Ofran, Yanay; Schneider, Reinhard; Rost, Burkhard

    2009-05-01

    The rapidly increasing quantity of protein sequence data continues to widen the gap between available sequences and annotations. Comparative modeling suggests some aspects of the 3D structures of approximately half of all known proteins; homology- and network-based inferences annotate some aspect of function for a similar fraction of the proteome. For most known protein sequences, however, there is detailed knowledge about neither their function nor their structure. Comprehensive efforts towards the expert curation of sequence annotations have failed to meet the demand of the rapidly increasing number of available sequences. Only the automated prediction of protein function in the absence of homology can close the gap between available sequences and annotations in the foreseeable future. This review focuses on two novel methods for automated annotation, and briefly presents an outlook on how modern web software may revolutionize the field of protein sequence annotation. First, predictions of protein binding sites and functional hotspots, and the evolution of these into the most successful type of prediction of protein function from sequence will be discussed. Second, a new tool, comprehensive in silico mutagenesis, which contributes important novel predictions of function and at the same time prepares for the onset of the next sequencing revolution, will be described. While these two new sub-fields of protein prediction represent the breakthroughs that have been achieved methodologically, it will then be argued that a different development might further change the way biomedical researchers benefit from annotations: modern web software can connect the worldwide web in any browser with the 'Deep Web' (ie, proprietary data resources). The availability of this direct connection, and the resulting access to a wealth of data, may impact drug discovery and development more than any existing method that contributes to protein annotation.

  1. Immunolocalization of keratin-associated beta-proteins (beta-keratins) in pad lamellae of geckos suggest that glycine-cysteine-rich proteins contribute to their flexibility and adhesiveness.

    Science.gov (United States)

    Alibardi, Lorenzo

    2013-03-01

    The epidermis of digital pads in geckos comprises superficial microornamentation from the oberhautchen layer that form long setae allowing these lizards to climb vertical surfaces. The beta-layer is reduced in pad lamellae but persists up to the apical free margin. Setae are made of different proteins including keratin-associated beta-proteins, formerly indicated as beta-keratins. In order to identify specific setal proteins the present ultrastructural study on geckos pad lamellae analyzes the immunolocalization of three beta-proteins previously found in the epidermis and adhesive setae of the green anolis. A protein rich in glycine but poor in cysteine (HgG5-like) is absent or masked in gecko pad lamellae. Another protein rich in glycine and cysteine (HgGC3-like) is weakly present in setae, oberhautchen and beta-layer. A glycine and cysteine medium rich beta-protein (HgGC10-like) is present in the lower part of the beta-layer but is absent in the oberhautchen, setae, and mesos layer. The latter two proteins may form intermolecular bonds that contribute to the flexibility of the corneous material sustaining the setae. The pliable alpha-layer present beneath the thin beta-layer and in the hinge region of the pad lamellae also contains HgGC10-like proteins. Based on the possibility that some HgGC3-like or other cys-rich beta-proteins are charged in the setae it is suggested that their charges influence the mechanism of adhesion increasing the induction of dipoles on the substrate and enhancing attractive van der Waals forces. Copyright © 2013 Wiley Periodicals, Inc.

  2. Transfer of single farm payment entitlements to farm successors: impact on structural change and rental prices in Switzerland

    Directory of Open Access Journals (Sweden)

    Gabriele Mack

    2013-09-01

    Full Text Available This paper analyses the impact of tradable and non-tradable single farm payment (SFP entitlements for farm successors on structural change and the lease market. Using the example of Swiss agriculture, the effects on rental-price trends and farm-exit rates are investigated. An ex-ante normative impact analysis is performed with the agent-based agricultural-sector model SWISSland, which simulates structural change processes and income trends in Swiss agriculture over a period of up to 15 years. A land market implemented at municipality level simulates the plot-by-plot leasing of land to surrounding neighbouring agents that is common in Switzerland. Allocation of plots to tenants as well as lease pricing is modelled taking into account the farm-specific land rents. The results show that personalised SFP entitlements which could not be transferred to a farm successor not only cause an intensification of structural change, but would also thus lead to a substantial reduction in rental prices. SFP entitlements which were successfully transferred to farm successors have only a slight impact on structural change and the rental prices of arable land. Only for grassland in the mountain region does a stronger shift result in a significant reduction in rental prices.

  3. Structural Basis of Mec1-Ddc2-RPA Assembly and Activation on Single-Stranded DNA at Sites of Damage.

    Science.gov (United States)

    Deshpande, Ishan; Seeber, Andrew; Shimada, Kenji; Keusch, Jeremy J; Gut, Heinz; Gasser, Susan M

    2017-10-19

    Mec1-Ddc2 (ATR-ATRIP) is a key DNA-damage-sensing kinase that is recruited through the single-stranded (ss) DNA-binding replication protein A (RPA) to initiate the DNA damage checkpoint response. Activation of ATR-ATRIP in the absence of DNA damage is lethal. Therefore, it is important that damage-specific recruitment precedes kinase activation, which is achieved at least in part by Mec1-Ddc2 homodimerization. Here, we report a structural, biochemical, and functional characterization of the yeast Mec1-Ddc2-RPA assembly. High-resolution co-crystal structures of Ddc2-Rfa1 and Ddc2-Rfa1-t11 (K45E mutant) N termini and of the Ddc2 coiled-coil domain (CCD) provide insight into Mec1-Ddc2 homodimerization and damage-site targeting. Based on our structural and functional findings, we present a Mec1-Ddc2-RPA-ssDNA composite structural model. By way of validation, we show that RPA-dependent recruitment of Mec1-Ddc2 is crucial for maintaining its homodimeric state at ssDNA and that Ddc2's recruitment domain and CCD are important for Mec1-dependent survival of UV-light-induced DNA damage. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Structural Complexity and Ecosystem Functions in a Natural Mixed Forest under a Single-Tree Selection Silviculture

    Directory of Open Access Journals (Sweden)

    Toshiya Yoshida

    2017-11-01

    Full Text Available The objective of forest management has become broader, and it is essential to harmonize timber production with conservation of the forest ecosystem. Selection cutting is recognized as a major alternative of clear-cutting, because it can maintain the complexity and heterogeneity of a natural forest; however, its long-term evaluations are limited. This study compared various attributes of stand structures, which are indicators of biodiversity and ecosystem carbon stock between managed and unmanaged blocks (12.6 ha area in total in a natural mixed forest in Hokkaido, the northernmost island of Japan. We found that 30 years’ implementation of single-tree selection did not affect the volume, size structure, species diversity nor spatial distribution of overstory trees in the managed stands. Also, the total carbon stock in the managed stands was almost equal to that of the unmanaged stands. In contrast, several structural attributes and indicator elements that are significant for biodiversity (such as large-diameter live trees, dead trees, cavities, epiphytic bryophytes, and some avian guilds showed marked decrease in the managed stands. We conclude that it is required to leave these structures and elements to some extent for deriving the merit of the management as an alternative silvicultural regime in the region.

  5. Single-crystal structure, photophysical characteristics and electroluminescent properties of bis(2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazolate)zinc

    Energy Technology Data Exchange (ETDEWEB)

    Xu Huixia, E-mail: xuhuixia0824@163.com [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan 030024 (China); Yue, Yan [Department of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Wang Hua [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan 030024 (China); Chen Liuqing [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan 030024 (China); College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Hao Yuying [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan 030024 (China); Department of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Xu Bingshe [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan 030024 (China); College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2012-04-15

    In this paper, a zinc (II) complex of Zn{sub 2}(4-tfmBTZ){sub 4} (4-tfmBTZ=2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazolate) was reported. Via combination of experimental and theoretical approaches, its molecular structure, photophysical characteristics, electronic structure and electroluminescent properties were investigated. The results indicate that Zn{sub 2}(4-tfmBTZ){sub 4} exists as five-coordinate geometric structure and two zinc atoms are bridged by oxygen atoms. The intense absorption band was located at 404 nm, which mainly originate from the transition HOMO-1 to LUMO+2. The blue-light emission was observed in tetrahydrofuran solution and thin film. White-light emission with four emission peaks was observed with CIE coordinate of (0.29, 0.33) and a higher CRI of 85.1 by fabricating bilayer device using Zn{sub 2}(4-tfmBTZ){sub 4} as electron-transport and NPB as hole-transport material. - Highlights: Black-Right-Pointing-Pointer The single-crystal and electronic structures of Zn{sub 2}(4-tfmBTZ){sub 4}. Black-Right-Pointing-Pointer The multicolor emission of Zn{sub 2}(4-tfmBTZ){sub 4} were realized by the simple devices. Black-Right-Pointing-Pointer White OLED is achieved with particularly high color rending index (CRI) by the emission of Zn{sub 2}(4-tfmBTZ){sub 4}.

  6. Single-crystal structure, photophysical characteristics and electroluminescent properties of bis(2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazolate)zinc

    International Nuclear Information System (INIS)

    Xu Huixia; Yue, Yan; Wang Hua; Chen Liuqing; Hao Yuying; Xu Bingshe

    2012-01-01

    In this paper, a zinc (II) complex of Zn 2 (4-tfmBTZ) 4 (4-tfmBTZ=2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazolate) was reported. Via combination of experimental and theoretical approaches, its molecular structure, photophysical characteristics, electronic structure and electroluminescent properties were investigated. The results indicate that Zn 2 (4-tfmBTZ) 4 exists as five-coordinate geometric structure and two zinc atoms are bridged by oxygen atoms. The intense absorption band was located at 404 nm, which mainly originate from the transition HOMO−1 to LUMO+2. The blue-light emission was observed in tetrahydrofuran solution and thin film. White-light emission with four emission peaks was observed with CIE coordinate of (0.29, 0.33) and a higher CRI of 85.1 by fabricating bilayer device using Zn 2 (4-tfmBTZ) 4 as electron-transport and NPB as hole-transport material. - Highlights: ► The single-crystal and electronic structures of Zn 2 (4-tfmBTZ) 4 . ► The multicolor emission of Zn 2 (4-tfmBTZ) 4 were realized by the simple devices. ► White OLED is achieved with particularly high color rending index (CRI) by the emission of Zn 2 (4-tfmBTZ) 4 .

  7. The effect of STDP temporal kernel structure on the learning dynamics of single excitatory and inhibitory synapses.

    Directory of Open Access Journals (Sweden)

    Yotam Luz

    Full Text Available Spike-Timing Dependent Plasticity (STDP is characterized by a wide range of temporal kernels. However, much of the theoretical work has focused on a specific kernel - the "temporally asymmetric Hebbian" learning rules. Previous studies linked excitatory STDP to positive feedback that can account for the emergence of response selectivity. Inhibitory plasticity was associated with negative feedback that can balance the excitatory and inhibitory inputs. Here we study the possible computational role of the temporal structure of the STDP. We represent the STDP as a superposition of two processes: potentiation and depression. This allows us to model a wide range of experimentally observed STDP kernels, from Hebbian to anti-Hebbian, by varying a single parameter. We investigate STDP dynamics of a single excitatory or inhibitory synapse in purely feed-forward architecture. We derive a mean-field-Fokker-Planck dynamics for the synaptic weight and analyze the effect of STDP structure on the fixed points of the mean field dynamics. We find a phase transition along the Hebbian to anti-Hebbian parameter from a phase that is characterized by a unimodal distribution of the synaptic weight, in which the STDP dynamics is governed by negative feedback, to a phase with positive feedback characterized by a bimodal distribution. The critical point of this transition depends on general properties of the STDP dynamics and not on the fine details. Namely, the dynamics is affected by the pre-post correlations only via a single number that quantifies its overlap with the STDP kernel. We find that by manipulating the STDP temporal kernel, negative feedback can be induced in excitatory synapses and positive feedback in inhibitory. Moreover, there is an exact symmetry between inhibitory and excitatory plasticity, i.e., for every STDP rule of inhibitory synapse there exists an STDP rule for excitatory synapse, such that their dynamics is identical.

  8. Structured oligonucleotides for target indexing to allow single-vessel PCR amplification and solid support microarray hybridization.

    Science.gov (United States)

    Girard, Laurie D; Boissinot, Karel; Peytavi, Régis; Boissinot, Maurice; Bergeron, Michel G

    2015-02-07

    The combination of molecular diagnostic technologies is increasingly used to overcome limitations on sensitivity, specificity or multiplexing capabilities, and provide efficient lab-on-chip devices. Two such techniques, PCR amplification and microarray hybridization are used serially to take advantage of the high sensitivity and specificity of the former combined with high multiplexing capacities of the latter. These methods are usually performed in different buffers and reaction chambers. However, these elaborate methods have high complexity and cost related to reagent requirements, liquid storage and the number of reaction chambers to integrate into automated devices. Furthermore, microarray hybridizations have a sequence dependent efficiency not always predictable. In this work, we have developed the concept of a structured oligonucleotide probe which is activated by cleavage from polymerase exonuclease activity. This technology is called SCISSOHR for Structured Cleavage Induced Single-Stranded Oligonucleotide Hybridization Reaction. The SCISSOHR probes enable indexing the target sequence to a tag sequence. The SCISSOHR technology also allows the combination of nucleic acid amplification and microarray hybridization in a single vessel in presence of the PCR buffer only. The SCISSOHR technology uses an amplification probe that is irreversibly modified in presence of the target, releasing a single-stranded DNA tag for microarray hybridization. Each tag is composed of a 3-nucleotide sequence-dependent segment and a unique "target sequence-independent" 14-nucleotide segment allowing for optimal hybridization with minimal cross-hybridization. We evaluated the performance of five (5) PCR buffers to support microarray hybridization, compared to a conventional hybridization buffer. Finally, as a proof of concept, we developed a multiplexed assay for the amplification, detection, and identification of three (3) DNA targets. This new technology will facilitate the design

  9. Extracting a Purely Non-rigid Deformation Field of a Single Structure

    Science.gov (United States)

    Demirci, Stefanie; Manstad-Hulaas, Frode; Navab, Nassir

    During endovascular aortic repair (EVAR) treatment, the aortic shape is subject to severe deformation that is imposed by medical instruments such as guide wires, catheters, and the stent graft. The problem definition of deformable registration of images covering the entire abdominal region, however, is highly ill-posed. We present a new method for extracting the deformation of an aneurysmatic aorta. The outline of the procedure includes initial rigid alignment of two abdominal scans, segmentation of abdominal vessel trees, and automatic reduction of their centerline structures to one specified region of interest around the aorta. Our non-rigid registration procedure then only computes local non-rigid deformation and leaves out all remaining global rigid transformations. In order to evaluate our method, experiments for the extraction of aortic deformation fields are conducted on 15 patient datasets from endovascular aortic repair (EVAR) treatment. A visual assessment of the registration results were performed by two vascular surgeons and one interventional radiologist who are all experts in EVAR procedures.

  10. Towards a single European electricity market. A structured approach to regulatory mode decision-making

    International Nuclear Information System (INIS)

    De Jong, H.M.

    2009-01-01

    This study focuses on the processes through which the rules and regulations that govern European electricity markets - and inherently, their integration process - are established. So far, European policy makers have largely followed a 'trial-and-error' approach to finding an appropriate regulatory mode (process) for dealing effectively with market integration issues. This unstructured approach to regulatory mode selection leads to several problems: - Today's trial-and-error strategy of shifting from one regulatory mode to another is time-consuming. - In the regulatory mode selection process, certain key principles of good governance are insufficiently considered. - European regulatory processes are experienced as vague, intransparent, and illegitimate by 'outside' stakeholders. This study develops a 'structured approach to regulatory mode decision-making' (STARMODE) based on the theory of decision modelling in policy management and a case study exploring three key market integration issues in the field of electricity markets: interconnector investment, congestion management and market transparency. The main objective is to present a systematic and comprehensive framework for analysing and improving regulatory mode decision-making in the context of the European Union, focusing on electricity market integration. The STARMODE approach is generally applicable to (and relevant for) European market integration issues in industries characterized by a natural monopoly and/or an essential service. The approach may also contribute to national regulatory mode decision-making and multi-state decision-making in other continents.

  11. Synthesis, optical, structural, and electrical properties of single-crystalline CdS nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Alqahtani, Mohammed S. [King Saud University, Department of Physics and Astronomy, Riyadh (Saudi Arabia); Hadia, N.M.A.; Mohamed, S.H. [Sohag University, Physics Department, Faculty of Science, Sohag (Egypt)

    2017-04-15

    CdS nanobelts (NBs) were synthesized by vapor transport of CdS powders. The growth was carried out without any catalyst on quartz and Si (100) substrates. The synthesized CdS NBs were examined by transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM) and selected area electron diffraction (SAED), high-resolution transmission electron microscopy (HR-TEM), X-ray powder diffraction (XRD), energy dispersion analysis of X-ray (EDAX), spectrophotometer, and photoluminescence spectroscopy. CdS NBs were indexed as hexagonal wurtzite structure. The growth was via vapor-solid growth mechanism and along the [100] direction. The refractive index was evaluated in the transparent region, as suggested by Swanepoel, using the envelope method. The refractive index values and the extinction coefficient were decreased by increasing the wavelength. The calculated optical band gap was 2.50 eV. The photoluminescence (PL) spectrum of the synthesized CdS NBs exhibited a green emission peak at 510 nm and a broad red emission peak at 696 nm. The conductivity measurements were achieved, in the temperature range from 300 to 600 K, using the conventional two-probe technique. Two different slopes with different activation energies of 0.618 and 0.215 eV were obtained. The CdS NBs are likely being novel functional materials. Thus, they can be used in the manufacture of innovative optoelectronic nanodevices. (orig.)

  12. Spatial structure of single and interacting Mn acceptors in GaAs

    Science.gov (United States)

    Koenraad, Paul

    2005-03-01

    Ferromagnetic semiconductors such as Ga1-xMnxAs are receiving a lot of attention at the moment because of their application in spintronic devices. However, despite intense study of deep acceptors in III-V semiconductors such as MnGa, little information has been obtained on their electronic properties at the atomic scale. Yet the spatial shape of the Mn acceptor state will influence the hole-mediated Mn-Mn coupling and thus all of the magnetic properties of ferromagnetic semiconductors such as Ga1-xMnxAs. This study presents an experimental and theoretical description of the spatial symmetry of the Mn acceptor wave-function in GaAs. We present measurements of the spatial mapping of the anisotropic wavefunction of a hole localized at a Mn acceptor. To achieve this, we have used the STM tip not only to image the Mn acceptor but also to manipulate its charge state A^0/A^- at room temperature. Within an envelope function effective mass model (EFM) the anisotropy in the acceptor wave-function can be traced to the influence of the cubic symmetry of the GaAs crystal which selects specific d-states that mix into the ground state due to the spin-orbit interaction in the valence band. Comparison with calculations based on a tight-binding model (TBM) for the Mn acceptor structure supports this conclusion. Using the same experimental and theoretical approach we furthermore explored the interaction between Mn acceptors directly by analyzing close Mn-Mn pairs, which were separated by less than 2 nm. We will discuss some implications of these results for Mn delta-doped layers grown on differently oriented growth surfaces.

  13. Improving the Reliability of Network Metrics in Structural Brain Networks by Integrating Different Network Weighting Strategies into a Single Graph

    Directory of Open Access Journals (Sweden)

    Stavros I. Dimitriadis

    2017-12-01

    Full Text Available Structural brain networks estimated from diffusion MRI (dMRI via tractography have been widely studied in healthy controls and patients with neurological and psychiatric diseases. However, few studies have addressed the reliability of derived network metrics both node-specific and network-wide. Different network weighting strategies (NWS can be adopted to weight the strength of connection between two nodes yielding structural brain networks that are almost fully-weighted. Here, we scanned five healthy participants five times each, using a diffusion-weighted MRI protocol and computed edges between 90 regions of interest (ROI from the Automated Anatomical Labeling (AAL template. The edges were weighted according to nine different methods. We propose a linear combination of these nine NWS into a single graph using an appropriate diffusion distance metric. We refer to the resulting weighted graph as an Integrated Weighted Structural Brain Network (ISWBN. Additionally, we consider a topological filtering scheme that maximizes the information flow in the brain network under the constraint of the overall cost of the surviving connections. We compared each of the nine NWS and the ISWBN based on the improvement of: (a intra-class correlation coefficient (ICC of well-known network metrics, both node-wise and per network level; and (b the recognition accuracy of each subject compared to the remainder of the cohort, as an attempt to access the uniqueness of the structural brain network for each subject, after first applying our proposed topological filtering scheme. Based on a threshold where the network level ICC should be >0.90, our findings revealed that six out of nine NWS lead to unreliable results at the network level, while all nine NWS were unreliable at the node level. In comparison, our proposed ISWBN performed as well as the best performing individual NWS at the network level, and the ICC was higher compared to all individual NWS at the node

  14. Structural patterns of the Lake Erçek Basin, eastern Anatolia (Turkey): evidence from single-channel seismic interpretation

    Science.gov (United States)

    Toker, Mustafa; Tur, Hüseyin

    2017-11-01

    This study presents an analysis of the single-channel high-resolution shallow seismic reflection data from Lake Erçek, eastern Anatolia, to provide key information on the deformational elements, on the fault patterns and on the overall tectonic structure of the Lake Erçek Basin. High-resolution seismic data reveal major structural and deformational features, including N-S trending normal faults and W-E trending reverse faults bounding the Lake Erçek Basin, basement highs and folded structures along the marginal sections of the lake. The N-S trending normal faults asymmetrically control the steep western margin and the gentle eastern deltaic section, while the W-E trending reverse faults appear at the northern and southern margins. The N-S trending normal faults, half-graben structure, and the gradual thickening of sediments in the Erçek Basin toward the fault scarps strongly suggest an extensional tectonic regime resulting from an N-S compression. The Erçek Basin is an extension-controlled depocenter; it is a relatively undeformed and flat-lying deep Basin, forming a typical example of the half-graben structure. The N-S trending normal faults appear to be currently active and control the lake center and the E-delta section, resulting in subsidence in the lake floor. In the N- and S-margins of the lake, there is evidence of folding, faulting and accompanying block uplifting, suggesting a significant N-S compressional regime that results in the reverse faulting and basement highs along the marginal sections. The folding and faulting caused strong uplift of the basement blocks in the N- and S- margins, subsequently exposing the shelf and slope areas. The exposed areas are evident in the erosional unconformity of the surface of the basement highs and thinned sediments. The tilted basement strata and subsequent erosion over the basement block highs suggest prominent structural inversion, probably long before the formation of the lake. New high-resolution seismic

  15. Study of the Wigner function at the device boundaries in one-dimensional single- and double-barrier structures

    International Nuclear Information System (INIS)

    Savio, Andrea; Poncet, Alain

    2011-01-01

    In this work, we compute the Wigner distribution function on one-dimensional devices from wave functions generated by solving the Schroedinger equation. Our goal is to investigate certain issues that we encountered in implementing Wigner transport equation solvers, such as the large discrepancies observed between the boundary conditions and the solution in the neighborhood of the boundaries. By evaluating the Wigner function without solving the Wigner transport equation, we intend to ensure that the actual boundary conditions are consistent with those commonly applied in literature. We study both single- and double-barrier unbiased structures. We use simple potential profiles, so that we can compute the wave functions analytically for better accuracy. We vary a number of structure geometry, material, meshing, and numerical parameters, among which are the contact length, the barrier height, the number of incident wave functions, and the numerical precision used for the computations, and we observe how the Wigner function at the device boundaries is affected. For the double-barrier structures, we look at the density matrix function and we study a model for the device transmission spectrum which helps explain the lobelike artifacts that we observe on the Wigner function.

  16. Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

    Science.gov (United States)

    Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

    2018-03-01

    The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

  17. Study on the Reactivity of Amino Acid Chemosensor, NPFNP, with Ethanol: Structural Elucidation through Single Crystal XRD and DFT Calculations

    Directory of Open Access Journals (Sweden)

    Beena Varghese

    2017-01-01

    Full Text Available A novel ethoxy derivative of an amino acid chemosensor, 3-naphthyl-1-phenyl-5-(2ʹ-fluoro-5ʹ-nitrophenyl-2-pyrazoline (NPFNP, has been synthesized and characterized by different spectroscopic methods.  A single crystal of the ethoxy derivative, 3-naphthyl-1-phenyl-5-(2ʹ-ethoxy-5ʹ-nitrophenyl-2-pyrazoline NPENP, has been obtained and characterized.  The structure holds interest as it carries biologically active pyrazoline as a central ring attaching to electron donating and withdrawing substituents. The major motivation for this work was to gain detailed insight into the structural parameters of this compound for investigating the influence of crystal packing and geometrical dimensions on optical properties. Time-dependent DFT calculations have been employed for comparing the XRD data with theoretical parameters. The results show that the DFT method at B3LYP/6-31G level can well reproduce the structure of the title compound.

  18. Investigation of sliding DNA clamp dynamics by single-molecule fluorescence, mass spectrometry and structure-based modeling

    Science.gov (United States)

    Gadkari, Varun V; Harvey, Sophie R; Raper, Austin T; Chu, Wen-Ting; Wang, Jin; Wysocki, Vicki H; Suo, Zucai

    2018-01-01

    Abstract Proliferating cell nuclear antigen (PCNA) is a trimeric ring-shaped clamp protein that encircles DNA and interacts with many proteins involved in DNA replication and repair. Despite extensive structural work to characterize the monomeric, dimeric, and trimeric forms of PCNA alone and in complex with interacting proteins, no structure of PCNA in a ring-open conformation has been published. Here, we use a multidisciplinary approach, including single-molecule Förster resonance energy transfer (smFRET), native ion mobility-mass spectrometry (IM-MS), and structure-based computational modeling, to explore the conformational dynamics of a model PCNA from Sulfolobus solfataricus (Sso), an archaeon. We found that Sso PCNA samples ring-open and ring-closed conformations even in the absence of its clamp loader complex, replication factor C, and transition to the ring-open conformation is modulated by the ionic strength of the solution. The IM-MS results corroborate the smFRET findings suggesting that PCNA dynamics are maintained in the gas phase and further establishing IM-MS as a reliable strategy to investigate macromolecular motions. Our molecular dynamic simulations agree with the experimental data and reveal that ring-open PCNA often adopts an out-of-plane left-hand geometry. Collectively, these results implore future studies to define the roles of PCNA dynamics in DNA loading and other PCNA-mediated interactions. PMID:29529283

  19. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fanli, E-mail: flmeng@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Hou, Nannan [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Ge, Sheng [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Sun, Bai [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Jin, Zhen, E-mail: zjin@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Shen, Wei; Kong, Lingtao; Guo, Zheng [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Yufeng, E-mail: sunyufeng118@126.com [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Wu, Hao; Wang, Chen [Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Li, Minqiang [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

    2015-03-25

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion.

  20. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    International Nuclear Information System (INIS)

    Meng, Fanli; Hou, Nannan; Ge, Sheng; Sun, Bai; Jin, Zhen; Shen, Wei; Kong, Lingtao; Guo, Zheng; Sun, Yufeng; Wu, Hao; Wang, Chen; Li, Minqiang

    2015-01-01

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion

  1. Optical and structural characterization of GaSb and Te-doped GaSb single crystals

    International Nuclear Information System (INIS)

    Tirado-Mejia, L.; Villada, J.A.; Rios, M. de los; Penafiel, J.A.; Fonthal, G.; Espinosa-Arbelaez, D.G.; Ariza-Calderon, H.; Rodriguez-Garcia, M.E.

    2008-01-01

    Optical and structural properties of GaSb and Te-doped GaSb single crystals are reported herein. Utilizing the photoreflectance technique, the band gap energy for doped samples was obtained at 0.814 eV. Photoluminescence (PL) spectra showed a peak at 0.748 eV that according to this research, belongs to electronic states of pure GaSb and not to the longitudinal optical (LO) phonon replica as has been reported by other authors. Analysis of the full width at half maximum (FWHM) values of X-ray diffraction, as well as micro-Raman peaks showed that the inclusion of Te decreases the crystalline quality

  2. STRUCTURAL CALCULATIONS FOR THE LIFTING IN VERTICAL ORIENTATION OF 5-DHLW/DOE SNF SINGLE CRM WASTE PACKAGES

    International Nuclear Information System (INIS)

    S. Mastilovic

    1999-01-01

    The purpose of this activity is to determine the structural response of the extension of outer shell (which is referred to as skirt throughout this document) designs of both long and short design concepts of 5-Defense High-Level Waste (DHLW) Department of Energy (DOE) spent nuclear fuel (SNF) single corrosion resistant material (CRM) waste packages (WP), subjected to a gravitational load in the course of lifting in vertical orientation. The scope of this document is limited to reporting the calculation results in terms of stress intensity magnitudes. This activity is associated with the WP design; calculations are performed by the Waste Package Design group. AP-3.124, Revision 0, ICN 0, Calculations, is used to perform the calculation and develop the document

  3. WDM-Coherent OCDMA over one single device based on short chip Super Structured Fiber Bragg Gratings.

    Science.gov (United States)

    Amaya, Waldimar; Pastor, Daniel; Baños, Rocio; Garcia-Munoz, Victor

    2011-11-21

    We theoretically propose and demonstrate experimentally a Coherent Direct Sequence OCDMA en/decoder for multi-channel WDM operation based on a single device. It presents a broadband spectral envelope and a periodic spectral pattern that can be employed for en/decoding multiple sub-bands simultaneously. Multi-channel operation is verified experimentally by means of Multi-Band Super Structured Fiber Bragg Gratings with binary phase encoded chips fabricated with 1mm inter-chip separation that provides 4x100 GHz ITU sub-band separation at 1.25 Gbps. The WDM-OCDMA system verification was carried out employing simultaneous encoding of four adjacent sub-bands and two different OCDMA codes. © 2011 Optical Society of America

  4. Altering F-Actin Structure of C17.2 Cells using Single-Walled Carbon Nanotubes

    Science.gov (United States)

    Magers, Jay; Gillette, Nathan L. D.; Rotkin, Slava V.; Jedlicka, Sabrina; Pirbhai, Massooma; Lehigh Univesity Collaboration; Susquehanna University Collaboration

    Advancements in nanotechnology have become fundamental to the delivery of drugs to treat various diseases. One such advancement is that of carbon nanotubes and their possible implications on drug delivery. Single-walled carbon nanotubes (SWCNTs) have great potential in the biomedical field as a means to deliver materials such as drugs and genes into the human body due to their size and chemistry. However, the effects of the nanotubes on cells they interact with are still unknown. Previous studies have shown that a low dosage of SWCNTs can affect differentiation of C17.2 neural stem cells. In this experiment, we investigate how the tubes affect the structure of the cells. Specifically, we determined the impact on the cell by examining the actin filament length, protrusions along the edge of the cells, and actin distribution. Presenter/Author 1.

  5. Integration of single oocyte trapping, in vitro fertilization and embryo culture in a microwell-structured microfluidic device.

    Science.gov (United States)

    Han, Chao; Zhang, Qiufang; Ma, Rui; Xie, Lan; Qiu, Tian; Wang, Lei; Mitchelson, Keith; Wang, Jundong; Huang, Guoliang; Qiao, Jie; Cheng, Jing

    2010-11-07

    In vitro fertilization (IVF) therapy is an important treatment for human infertility. However, the methods for clinical IVF have only changed slightly over decades: culture medium is held in oil-covered drops in Petri dishes and manipulation occurs by manual pipetting. Here we report a novel microwell-structured microfluidic device that integrates single oocyte trapping, fertilization and subsequent embryo culture. A microwell array was used to capture and hold individual oocytes during the flow-through process of oocyte and sperm loading, medium substitution and debris cleaning. Different microwell depths were compared by computational modeling and flow washing experiments for their effectiveness in oocyte trapping and debris removal. Fertilization was achieved in the microfluidic devices with similar fertilization rates to standard oil-covered drops in Petri dishes. Embryos could be cultured to blastocyst stages in our devices with developmental status individually monitored and tracked. The results suggest that the microfluidic device may bring several advantages to IVF practices by simplifying oocyte handling and manipulation, allowing rapid and convenient medium changing, and enabling automated tracking of any single embryo development.

  6. Femtosecond-pulse inscription of fiber Bragg gratings with single or multiple phase-shifts in the structure

    Science.gov (United States)

    Wolf, Alexey; Dostovalov, Alexandr; Skvortsov, Mikhail; Raspopin, Kirill; Parygin, Alexandr; Babin, Sergey

    2018-05-01

    In this work, long high-quality fiber Bragg gratings with phase shifts in the structure are inscribed directly in the optical fiber by point-by-point technique using femtosecond laser pulses. Phase shifts are introduced during the inscription process with a piezoelectric actuator, which rapidly shifts the fiber along the direction of its movement in a chosen point of the grating with a chosen shift value. As examples, single and double π phase shifts are introduced in fiber Bragg gratings with a length up to 34 mm in passive fibers, which provide corresponding transmission peaks with bandwidth less than 1 pm. It is shown that 37 mm π -phase-shifted grating inscribed in an active Er-doped fiber forms high-quality DFB laser cavity generating single-frequency radiation at 1550 nm with bandwidth of 20 kHz and signal-to-noise ratio of >70 dB. The inscription technique has a high degree of performance and flexibility and can be easily implemented in fibers of various types.

  7. Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

    Science.gov (United States)

    Karthigha, S.; Krishnamoorthi, C.

    2018-03-01

    An organic quinolinium derivative nonlinear optical (NLO) crystal, 1-ethyl-2-[2-(4-nitro-phenyl)-vinyl]-quinolinium iodide (PNQI) was synthesized and successfully grown by slow evaporation solution growth technique. Formation of a crystalline compound was confirmed by single crystal X-ray diffraction. The quinolinium compound PNQI crystallizes in the triclinic crystal system with a centrosymmetric space group of P-1 symmetry. The molecular structure of PNQI was confirmed by 1H NMR and 13C NMR spectral studies. The thermal properties of the crystal have been investigated by thermogravimetric (TG) and differential scanning calorimetry (DSC) studies. The optical characteristics obtained from UV-Vis-NIR spectral data were described and the cut-off wavelength observed at 506 nm. The etching study was performed to analyse the growth features of PNQI single crystal. The third order NLO properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β) and nonlinear susceptibility (χ (3)) of the crystal were investigated using Z-scan technique at 632.8 nm of Hesbnd Ne laser.

  8. N and Si Implantation Effect on Structural and Electrical Properties of Bridgman grown GaSe Single Crystal

    International Nuclear Information System (INIS)

    Karabulut, O.

    2004-01-01

    N and Si implantation to GaSe single crystals were carried out parallel to c-axis with ion beam of about 10 1 6 ions/cm 2 dose having energy values 30, 60 and 100 keV. Ion implantation modifications on Bridgman grown GaSe single crystals have been investigated by means of XRD, electrical conductivity, absorption and photoconductivity measurements. XRD measurements revealed that annealing results in a complete recovery of the crystalline nature that was moderately reduced upon implantation. It was observed that both N- and Siimplantation followed by annealing process decreased the resistivity values from 10 7 to 10 3 .-cm. The analysis of temperature dependent conductivity showed that at high temperature region above 200 K, the transport mechanism is dominated by thermal excitation in the doped and undoped GaSe samples. At lower temperatures, the conduction of carriers is dominated by variable range hopping mechanism in the implanted samples. Absorption and spectral photoconductivity measurements showed that the band edge is shifted in the implanted sample. All these modifications were attributed to the structural modifications and continuous shallow trap levels introduced upon implantation and annealing

  9. Structure of Radicals from X-irradiated Guanine Derivatives: An Experimental and Computational Study of Sodium Guanosine Dihydrate Single Crystals

    Science.gov (United States)

    Jayatilaka, Nayana; Nelson, William H.

    2008-01-01

    In sodium guanosine dihydrate single crystals, the guanine moiety is deprotonated at N1 due to growth from high-pH (>12) solutions. EPR and ENDOR study of crystals x-irradiated at 10 K detected evidence for three radical forms. Radical R1,characterized by two proton and two nitrogen hyperfine interactions, was identified as the product of net hydrogenation at N7 of the N1-deprotonated guanine unit. R1 exhibited an unusually distorted structure leading to net positive isotropic components of the hydrogen couplings. Radical R2, characterized by one proton and one nitrogen hyperfine coupling was identified as the primary electron loss product. This product is equivalent to that of deprotonation at N1 by the guanine cation and represents the first ENDOR characterization of that product. Radical R3, characterized by a single hydrogen hyperfine coupling, was identified as the product of net dehydrogenation at C1 of the ribose moiety. The identification of radicals R1-R3 was supported by DFT calculations on several possible structures using the B3LYP/6-311G(2df,p)//6-31G(d,p) approach. Radical R4, detected after warming the crystals to room temperature, was identified as the well-known product of net hydrogenation of C8 of the (N1-deprotonated) guanine component. Radical R1, evidently formed by protonation of the primary electron addition product, was present as roughly 60% of the total radicals detected at 10 K. Radical R2 was present as roughly 27% of the total yield, and the concentration of R3 contributed the remaining 13%. R3 is evidently the product of oneelectron oxidation followed by deprotonation; thus, the balance of oxidation and reduction products is approximately equal within experimental uncertainty. PMID:17249824

  10. Parthenocarpic potential in Capsicum annuum L. is enhanced by carpelloid structures and controlled by a single recessive gene

    Directory of Open Access Journals (Sweden)

    Xue Lin B

    2011-10-01

    Full Text Available Abstract Background Parthenocarpy is a desirable trait in Capsicum annuum production because it improves fruit quality and results in a more regular fruit set. Previously, we identified several C. annuum genotypes that already show a certain level of parthenocarpy, and the seedless fruits obtained from these genotypes often contain carpel-like structures. In the Arabidopsis bel1 mutant ovule integuments are transformed into carpels, and we therefore carefully studied ovule development in C. annuum and correlated aberrant ovule development and carpelloid transformation with parthenocarpic fruit set. Results We identified several additional C. annuum genotypes with a certain level of parthenocarpy, and confirmed a positive correlation between parthenocarpic potential and the development of carpelloid structures. Investigations into the source of these carpel-like structures showed that while the majority of the ovules in C. annuum gynoecia are unitegmic and anatropous, several abnormal ovules were observed, abundant at the top and base of the placenta, with altered integument growth. Abnormal ovule primordia arose from the placenta and most likely transformed into carpelloid structures in analogy to the Arabidopsis bel1 mutant. When pollination was present fruit weight was positively correlated with seed number, but in the absence of seeds, fruit weight proportionally increased with the carpelloid mass and number. Capsicum genotypes with high parthenocarpic potential always showed stronger carpelloid development. The parthenocarpic potential appeared to be controlled by a single recessive gene, but no variation in coding sequence was observed in a candidate gene CaARF8. Conclusions Our results suggest that in the absence of fertilization most C. annuum genotypes, have parthenocarpic potential and carpelloid growth, which can substitute developing seeds in promoting fruit development.

  11. Parthenocarpic potential in Capsicum annuum L. is enhanced by carpelloid structures and controlled by a single recessive gene

    Science.gov (United States)

    2011-01-01

    Background Parthenocarpy is a desirable trait in Capsicum annuum production because it improves fruit quality and results in a more regular fruit set. Previously, we identified several C. annuum genotypes that already show a certain level of parthenocarpy, and the seedless fruits obtained from these genotypes often contain carpel-like structures. In the Arabidopsis bel1 mutant ovule integuments are transformed into carpels, and we therefore carefully studied ovule development in C. annuum and correlated aberrant ovule development and carpelloid transformation with parthenocarpic fruit set. Results We identified several additional C. annuum genotypes with a certain level of parthenocarpy, and confirmed a positive correlation between parthenocarpic potential and the development of carpelloid structures. Investigations into the source of these carpel-like structures showed that while the majority of the ovules in C. annuum gynoecia are unitegmic and anatropous, several abnormal ovules were observed, abundant at the top and base of the placenta, with altered integument growth. Abnormal ovule primordia arose from the placenta and most likely transformed into carpelloid structures in analogy to the Arabidopsis bel1 mutant. When pollination was present fruit weight was positively correlated with seed number, but in the absence of seeds, fruit weight proportionally increased with the carpelloid mass and number. Capsicum genotypes with high parthenocarpic potential always showed stronger carpelloid development. The parthenocarpic potential appeared to be controlled by a single recessive gene, but no variation in coding sequence was observed in a candidate gene CaARF8. Conclusions Our results suggest that in the absence of fertilization most C. annuum genotypes, have parthenocarpic potential and carpelloid growth, which can substitute developing seeds in promoting fruit development. PMID:22018057

  12. Instrument for all-fiber structure measurement of ultra-low turbidity by using single photon detection technique

    Science.gov (United States)

    Qin, Feihu; Hu, Juntao; Wang, Huanqin; Gui, Huaqiao; Liu, Jianguo; Lü, Liang; Kong, Deyi; Zhang, Jian; Han, Xia; Wang, Tianli

    2017-10-01

    An all-fiber structure detection system based on single photon detection technique(SPDT) has been developed to measure the ultra-low turbidity ofliquids. To assure the measurement accuracy,the total intensity of transmission light has been detected and quantified as number of photons by avalanche photodiode (APD) which has the advantage of high sensitivity.A fresh all-fiber structure optical fiber probe based on SPDT is applied in the system to reduce the volume and fluctuation of traditional transmission-light measurement system,in which the all-fiber structure probe is used to delivery and collection of transmission light.On the basis of Beer-Lambert (B-L) transmission law,a test system has been established and carried out a series of experiments.By combining B-Llaw with the principle of SPDT,a novel model for detecting turbidity has been proposed to explain the experimental results.The results have shown a well exponential relationship over the range of 0.01-1NTU (Nephelometric Turbidity Units).It also has showna good linear relationship with a resolution as high as 0.01NTUin the range of 0.01-0.09 NTU.When it is 1 secondofthe sampling time,the mean error of measurement result can be controlled within 5% of full scale.In addition,the new detection structure proposed in this paper, which makes the system more compact and more suitable in the small special space.

  13. Effect of thermal fatigue on the structure and properties of Ni3Al-based alloy single crystals

    Science.gov (United States)

    Povarova, K. B.; Drozdov, A. A.; Bazyleva, O. A.; Bulakhtina, M. A.; Alad'ev, N. A.; Antonova, A. V.; Arginbaeva, E. G.; Morozov, A. E.

    2014-05-01

    The effect of thermal fatigue during tests of and single crystals according to the schedules 100 ai 850°C, 100 ai 1050°C, 100 ai 1100°C at a peak-to-peak stress Δσtc = 700-1000 MPa (sum of the maximum tensile and compressive stresses in a thermal cycle) on the structure, the fracture, and the fatigue life of an Ni3Al-based VKNA-1V alloy is studied. It is found that, at 103 thermal cycles, the single crystals have the maximum thermal fatigue resistance at the maximum cycle temperature of 850 and 1050°C, and the properties of the and samples are almost the same at the maximum thermal cycle temperature of 1100°C. After thermal cycling at the maximum temperature of 850°C, the γ layers in the two-phase γ' + γ region in dendrites remain a single-phase structure, as in the as-cast material, and the layer thickness is 100-150 nm. When the maximum thermal cycle temperature increases to 1050 or 1100°C, the discontinuous γ-phase layers in the γ'(Ni3Al) matrix change their morphology and become shorter and wider (their thickness is 300-700 nm). The nickel-based supersaturated solid solution in these layers decomposes with the formation of secondary γ'(Ni3Al)-phase (γ'sec) precipitates in the form of cuboids 50 and 100 nm in size at the maximum cycle temperature of 1050 and 1100°C, respectively. The alternating stresses that appear during thermal cycling cause plastic deformation. As in nickel superalloys, this deformation at the first stage proceeds via the slip of screw dislocations along octahedral {111} planes. Networks of 60° dislocation segments form at γ'/γ interfaces in this case. Fracture begins at the lines of intersection of the slip planes of the {111} octahedron with the sample surface. During fractional, a crack passes from one octahedral plane to another and forms terraces and steps (crystallographic fracture); as a result, the fracture surface bends and becomes curved. In all cases, the fracture surfaces have a mixed brittle-ductile character

  14. Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    M Rajasekaran

    Full Text Available BACKGROUND: Arylamine N-acetyltransferase 2 (NAT2 is an important catalytic enzyme that metabolizes the carcinogenic arylamines, hydrazine drugs and chemicals. This enzyme is highly polymorphic in different human populations. Several polymorphisms of NAT2, including the single amino acid substitutions R64Q, I114T, D122N, L137F, Q145P, R197Q, and G286E, are classified as slow acetylators, whereas the wild-type NAT2 is classified as a fast acetylator. The slow acetylators are often associated with drug toxicity and efficacy as well as cancer susceptibility. The biological functions of these 7 mutations have previously been characterized, but the structural basis behind the reduced catalytic activity and reduced protein level is not clear. METHODOLOGY/PRINCIPAL FINDINGS: We performed multiple molecular dynamics simulations of these mutants as well as NAT2 to investigate the structural and dynamical effects throughout the protein structure, specifically the catalytic triad, cofactor binding site, and the substrate binding pocket. None of these mutations induced unfolding; instead, their effects were confined to the inter-domain, domain 3 and 17-residue insert region, where the flexibility was significantly reduced relative to the wild-type. Structural effects of these mutations propagate through space and cause a change in catalytic triad conformation, cofactor binding site, substrate binding pocket size/shape and electrostatic potential. CONCLUSIONS/SIGNIFICANCE: Our results showed that the dynamical properties of all the mutant structures, especially in inter-domain, domain 3 and 17-residue insert region were affected in the same manner. Similarly, the electrostatic potential of all the mutants were altered and also the functionally important regions such as catalytic triad, cofactor binding site, and substrate binding pocket adopted different orientation and/or conformation relative to the wild-type that may affect the functions of the mutants

  15. Controlling the formation process and atomic structures of single pyrazine molecular junction by tuning the strength of the metal-molecule interaction.

    Science.gov (United States)

    Kaneko, Satoshi; Takahashi, Ryoji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

    2017-04-12

    The formation process and atomic structures were investigated for single pyrazine molecular junctions sandwiched by three different Au, Ag, and Cu electrodes using a mechanically controllable break junction technique in ultrahigh vacuum conditions at 300 K. We demonstrated that the formation process of the single-molecule junction crucially depended on the choice of the metal electrodes. While single-molecule junction showing two distinct conductance states were found for the Au electrodes, only the single conductance state was evident for the Ag electrodes, and there was no junction formation for the Cu electrodes. These results suggested that metal-molecule interaction dominates the formation process and probability of the single-molecule junction. In addition to the metal-molecule interaction, temperature affected the formation process of the single-molecule junction. The single pyrazine molecular junction formed between Au electrodes exhibited significant temperature dependence where the junction-formation probability was about 8% at 300 K, while there was no junction-formation at 100 K. Instead of the junction formation, an Au atomic wire was formed at the low temperature. This study provides insight into the tuning of the junction-forming process for single-molecule junctions, which is needed to construct device structures on a single molecule scale.

  16. Single layers and multilayers of GaN and AlN in square-octagon structure: Stability, electronic properties, and functionalization

    Science.gov (United States)

    Gürbüz, E.; Cahangirov, S.; Durgun, E.; Ciraci, S.

    2017-11-01

    Further to planar single-layer hexagonal structures, GaN and AlN can also form free-standing, single-layer structures constructed from squares and octagons. We performed an extensive analysis of dynamical and thermal stability of these structures in terms of ab initio finite-temperature molecular dynamics and phonon calculations together with the analysis of Raman and infrared active modes. These single-layer square-octagon structures of GaN and AlN display directional mechanical properties and have wide, indirect fundamental band gaps, which are smaller than their hexagonal counterparts. These density functional theory band gaps, however, increase and become wider upon correction. Under uniaxial and biaxial tensile strain, the fundamental band gaps decrease and can be closed. The electronic and magnetic properties of these single-layer structures can be modified by adsorption of various adatoms, or by creating neutral cation-anion vacancies. The single-layer structures attain magnetic moment by selected adatoms and neutral vacancies. In particular, localized gap states are strongly dependent on the type of vacancy. The energetics, binding, and resulting electronic structure of bilayer, trilayer, and three-dimensional (3D) layered structures constructed by stacking the single layers are affected by vertical chemical bonds between adjacent layers. In addition to van der Waals interaction, these weak vertical bonds induce buckling in planar geometry and enhance their binding, leading to the formation of stable 3D layered structures. In this respect, these multilayers are intermediate between van der Waals solids and wurtzite crystals, offering a wide range of tunability.

  17. Structural, mechanical and light yield characterisation of heat treated LYSO:Ce single crystals for medical imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    Mengucci, P., E-mail: p.mengucci@univpm.it [Università Politecnica delle Marche, Via Brecce Bianche, 60131 Ancona (Italy); André, G. [Laboratoire Léon Brillouin, CEA-CNRS, CE-Saclay, 91191 Gif sur Yvette cedex (France); Auffray, E. [Department PH-CMX CERN, Route de Meyrin, 1211 Geneva 23 (Switzerland); Barucca, G. [Università Politecnica delle Marche, Via Brecce Bianche, 60131 Ancona (Italy); Cecchi, C. [Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, 06123 Perugia (Italy); Chipaux, R. [CEA DSM/IRFU/SEDI, CE-Saclay, 91191 Gif sur Yvette cedex (France); Cousson, A. [Laboratoire Léon Brillouin, CEA-CNRS, CE-Saclay, 91191 Gif sur Yvette cedex (France); Davì, F. [Università Politecnica delle Marche, Via Brecce Bianche, 60131 Ancona (Italy); Di Vara, N. [Department PH-CMX CERN, Route de Meyrin, 1211 Geneva 23 (Switzerland); Rinaldi, D.; Santecchia, E. [Università Politecnica delle Marche, Via Brecce Bianche, 60131 Ancona (Italy)

    2015-06-11

    Five single crystals of cerium-doped lutetium yttrium oxyorthosilicate (LYSO:Ce) grown by the Czochralski method were submitted to structural characterisation by X-ray (XRD) and neutron (ND) diffraction, scanning (SEM) and transmission (TEM) electron microscopy and energy dispersive microanalysis (EDS). The Ultimate Tensile Strength (UTS), the Young Modulus (YM) and the Light Yield (LY) of the samples were also measured in order to correlate the mechanical and the optical behaviour of the crystals with the characteristics of their microstructure. Two of the samples analysed were also heat treated at 300 °C for 10 h to evidence possible variations induced by the temperature in the optical and mechanical response of the crystals. Results showed that the mean compositional variations evidenced by the structural analyses do not affect the mechanical and optical behaviour of the samples. On the contrary, the thermal treatment could induce the formation of coherent spherical particles (size 10 to 15 nm), not uniformly distributed inside the sample, that strongly reduce the UTS and YM values, but it does not affect the optical response of the crystal. This latter result was attributed to the low value of the heating temperature (300 °C) that is not sufficiently high to induce annealing of the oxygen vacancies traps that are responsible of the deterioration of the scintillation properties of the LYSO:Ce crystals. This study was carried out in the framework of the Crystal Clear Collaboration (CCC)

  18. Special structures and properties of hydrogen nanowire confined in a single walled carbon nanotube at extreme high pressure

    Directory of Open Access Journals (Sweden)

    Yueyuan Xia

    2012-06-01

    Full Text Available Extensive ab initio molecular dynamics simulations indicate that hydrogen can be confined in single walled carbon nanotubes to form high density and high pressure H2 molecular lattice, which has peculiar shell and axial structures depending on the density or pressure. The band gap of the confined H2 lattice is sensitive to the pressure. Heating the system at 2000K, the H2 lattice is firstly melted to form H2 molecular liquid, and then some of the H2 molecules dissociate accompanied by drastic molecular and atomic reactions, which have essential effect on the electronic structure of the hydrogen system. The liquid hydrogen system at 2000K is found to be a particular mixed liquid, which consists of H2 molecules, H atoms, and H-H-H trimers. The dissociated H atoms and the trimers in the liquid contribute resonance electron states at the Fermi energy to change the material properties substantially. Rapidly cooling the system from 2000K to 0.01 K, the mixed liquid is frozen to form a mixed solid melt with a clear trend of band gap closure. It indicates that this solid melt may become a superconducting nanowire when it is further compressed.

  19. Synthesis, structure and optical properties of single-crystalline In{sub 2}O{sub 3} nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Hadia, N.M.A., E-mail: nomery_abass@yahoo.com [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); Mohamed, H.A. [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); King Saud University, Teachers College, Science Department (Physics), 11148 Riyadh (Saudi Arabia)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Metal and metal oxide one dimensional (1D) nanostructured materials are of crucial importance. Black-Right-Pointing-Pointer The paper deals with the synthesis of In{sub 2}O{sub 3} nanowires without the use of catalysts. Black-Right-Pointing-Pointer The optical constants and Photoluminescence (PL) of In{sub 2}O{sub 3} nanowires were evaluated. - Abstract: Indium oxide In{sub 2}O{sub 3} nanowires have been recently synthesized revealing interesting properties and used in various applications. In order to reduce as much as possible the influence of undesired dopants and/or impurities on the observed properties, In{sub 2}O{sub 3} nanowires have been grown without the use of catalysts, directly from metallic indium by a vapor transport technique and a controlled oxidation with oxygen-argon mixtures. Depending on the growth conditions (temperature, vapor pressure, oxygen concentration, etc.) different results have been achieved and it has been observed that a 'proper' In condensation on the substrates may enhance the nanowires growth. Detailed structural analysis showed that the In{sub 2}O{sub 3} nanostructures are single crystalline with a cubic crystal structure. The grown In{sub 2}O{sub 3} nanowires were optically characterized in order to evaluate the absorption coefficient, optical band gap, refractive index and extinction coefficient. Room temperature Photoluminescence (PL) spectrum showed broad and intense blue emission at 375 nm.

  20. Nodal structure and phase shifts of zero-incident-energy wave functions: Multiparticle single-channel scattering

    International Nuclear Information System (INIS)

    Iwinski, Z.R.; Rosenberg, L.; Spruch, L.

    1986-01-01

    For potential scattering, with delta/sub L/(k) the phase shift modulo π for an incident wave number k, Levinson's theorem gives delta/sub L/(0)-delta/sub L/(infinity) in terms of N/sub L/, the number of bound states of angular momentum L, for delta/sub L/(k) assumed to be a continuous function of k. N/sub L/ also determines the number of nodes of the zero-energy wave function u/sub L/(r). A knowledge of the nodal structure and of the absolute value of delta/sub L/(0) is very useful in theoretical studies of low-energy potential scattering. Two preliminary attempts, one formal and one ''physical,'' are made to extend the above results to single-channel scattering by a compound system initially in its ground state. The nodal structure will be of greater interest to us here than an extension of Levinson's theorem

  1. Stable single longitudinal mode erbium-doped silica fiber laser based on an asymmetric linear three-cavity structure

    International Nuclear Information System (INIS)

    Feng Ting; Yan Feng-Ping; Li Qi; Peng Wan-Jing; Feng Su-Chun; Tan Si-Yu; Wen Xiao-Dong

    2013-01-01

    We present a stable linear-cavity single longitudinal mode (SLM) erbium-doped silica fiber laser. It consists of four fiber Bragg gratings (FBGs) directly written in a section of photosensitive erbium-doped fiber (EDF) to form an asymmetric three-cavity structure. The stable SLM operation at a wavelength of 1545.112 nm with a 3-dB bandwidth of 0.012 nm and an optical signal-to-noise ratio (OSNR) of about 60 dB is verified experimentally. Under laboratory conditions, the performance of a power fluctuation of less than 0.05 dB observed from the power meter for 6 h and a wavelength variation of less than 0.01 nm obtained from the optical spectrum analyzer (OSA) for about 1.5 h are demonstrated. The gain fiber length is no longer limited to only several centimeters for SLM operation because of the excellent mode-selecting ability of the asymmetric three-cavity structure. The proposed scheme provides a simple and cost-effective approach to realizing a stable SLM fiber laser. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  2. Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Marana, Naiara L. [Modeling and Molecular Simulations Group, São Paulo State University, UNESP, 17033-360 Bauru, SP (Brazil); Albuquerque, Anderson R. [Federal Institute of Education, Science and Technology of Sertão Pernambucano, 56400-000 Floresta, PE (Brazil); La Porta, Felipe A. [Chemistry Department, Federal Technological University of Paraná, 86036-370 Londrina, PR (Brazil); Longo, Elson [São Paulo State University, Chemistry Institute, UNESP, 14801-907 Araraquara, SP (Brazil); Sambrano, Julio R. [Modeling and Molecular Simulations Group, São Paulo State University, UNESP, 17033-360 Bauru, SP (Brazil)

    2016-05-15

    Periodic density functional theory calculations with the B3LYP hybrid functional and all-electron Gaussian basis set were performed to simulate the structural and electronic properties as well as the strain and formation energies of single-walled ZnO nanotubes (SWZnONTs) and Carbon nanotubes (SWCNTs) with different chiralities as functions of their diameters. For all SWZnONTs, the band gap, strain energy, and formation energy converge to ~4.5 eV, 0.0 eV/atom, and 0.40 eV/atom, respectively. This result suggests that the nanotubes are formed more easily from the surface than from the bulk. For SWCNTs, the strain energy is always positive, while the formation energy is negative for armchair and zigzag nanotubes, therefore suggesting that these types of nanotubes can be preferentially formed from the bulk. The electronic properties of SWCNTs depend on the chirality; all armchair nanotubes are metallic, while zigzag and chiral nanotubes can be metallic or semiconducting, depending on the n and m vectors. - Graphical abstract: DFT/B3LYP were performed to simulate the structural and electronic properties as well as the strain and formation energies of SWZnONTs and SWCNTs with different chiralities as functions of their diameters. - Highlights: • The energies of SWZnONTs converge for chirality with diameters up 20 Å. • SWCNTs electronic properties depend on the chirality. • The properties of SWZnONTs are very similar to those of monolayer surface.

  3. Label-free nanoscale characterization of red blood cell structure and dynamics using single-shot transport of intensity equation

    Science.gov (United States)

    Poola, Praveen Kumar; John, Renu

    2017-10-01

    We report the results of characterization of red blood cell (RBC) structure and its dynamics with nanometric sensitivity using transport of intensity equation microscopy (TIEM). Conventional transport of intensity technique requires three intensity images and hence is not suitable for studying real-time dynamics of live biological samples. However, assuming the sample to be homogeneous, phase retrieval using transport of intensity equation has been demonstrated with single defocused measurement with x-rays. We adopt this technique for quantitative phase light microscopy of homogenous cells like RBCs. The main merits of this technique are its simplicity, cost-effectiveness, and ease of implementation on a conventional microscope. The phase information can be easily merged with regular bright-field and fluorescence images to provide multidimensional (three-dimensional spatial and temporal) information without any extra complexity in the setup. The phase measurement from the TIEM has been characterized using polymeric microbeads and the noise stability of the system has been analyzed. We explore the structure and real-time dynamics of RBCs and the subdomain membrane fluctuations using this technique.

  4. Structure Formation of Ultrathin PEO Films at Solid Interfaces—Complex Pattern Formation by Dewetting and Crystallization

    Science.gov (United States)

    Braun, Hans-Georg; Meyer, Evelyn

    2013-01-01

    The direct contact of ultrathin polymer films with a solid substrate may result in thin film rupture caused by dewetting. With crystallisable polymers such as polyethyleneoxide (PEO), molecular self-assembly into partial ordered lamella structures is studied as an additional source of pattern formation. Morphological features in ultrathin PEO films (thickness dewetting patterns and diffusion limited growth pattern of ordered lamella growing within the dewetting areas. Besides structure formation of hydrophilic PEO molecules, n-alkylterminated (hydrophobic) PEO oligomers are investigated with respect to self-organization in ultrathin films. Morphological features characteristic for pure PEO are not changed by the presence of the n-alkylgroups. PMID:23385233

  5. Raman scattering study of the structural phase transition in single crystal KDy(MoO4)2

    Science.gov (United States)

    Peschanskii, A. V.

    2017-11-01

    Raman scattering of light in single-crystal KDy(MoO4)2 is studied at frequencies of 3-1000 cm-1 for temperatures ranging from 2 to 300 K, including that of a structural phase transition of the cooperative Jahn-Teller type (TC ˜ 14.5 K). During the transition to the low-temperature phase, a series of additional phonon lines corresponding to the Ag, B1g, B2g, and B3g modes is observed which indicates a doubling of the unit cell during the phase transition. An analysis of the symmetry of the phonon modes shows that the low-temperature phase has a predominantly monoclinic symmetry with conservation of a second order axis along the crystallographic b direction, i.e., perpendicular to the layers. Excitations are discovered which correspond to low-energy electronic transitions between levels of the ground-state 6H15/2 multiplet of the Dy3+ ion, which is split in the crystal field with a C2 symmetry. In the vicinity of the first excited Kramers doublet of the Dy3+ ion in crystalline KDy(MoO4)2, the scattered spectrum contains four lines [16.5, 21.0, 24.9, and 29.1 cm-1 (2 K)] at low temperatures, instead of a single line [18.3 cm-1 (25 K)] above the phase transition temperature (14.5 K). This indicates the existence of four nonequivalent dysprosium ions in the low-temperature phase.

  6. Intramolecular structures in a single copolymer chain consisting of flexible and semiflexible blocks: Monte Carlo simulation of a lattice model

    International Nuclear Information System (INIS)

    Martemyanova, Julia A; Ivanov, Victor A; Paul, Wolfgang

    2014-01-01

    We study conformational properties of a single multiblock copolymer chain consisting of flexible and semiflexible blocks. Monomer units of different blocks are equivalent in the sense of the volume interaction potential, but the intramolecular bending potential between successive bonds along the chain is different. We consider a single flexible-semiflexible regular multiblock copolymer chain with equal content of flexible and semiflexible units and vary the length of the blocks and the stiffness parameter. We perform flat histogram type Monte Carlo simulations based on the Wang-Landau approach and employ the bond fluctuation lattice model. We present here our data on different non-trivial globular morphologies which we have obtained in our model for different values of the block length and the stiffness parameter. We demonstrate that the collapse can occur in one or in two stages depending on the values of both these parameters and discuss the role of the inhomogeneity of intraglobular distributions of monomer units of both flexible and semiflexible blocks. For short block length and/or large stiffness the collapse occurs in two stages, because it goes through intermediate (meta-)stable structures, like a dumbbell shaped conformation. In such conformations the semiflexible blocks form a cylinder-like core, and the flexible blocks form two domains at both ends of such a cylinder. For long block length and/or small stiffness the collapse occurs in one stage, and in typical conformations the flexible blocks form a spherical core of a globule while the semiflexible blocks are located on the surface and wrap around this core.

  7. Thermal Conductivity of Superconductors in the Intermediate State: Size Effect in a Longitudinal Lamellar Structure

    International Nuclear Information System (INIS)

    Suter, J.M.; Rinderer, L.

    1978-01-01

    The thermal conductivity of type I superconductors has been measured in a well-defined, optically controlled intermediate-state configuration the so-called longitudinal lamellar structure (LLS). A regular arrangement of alternating normal and superconducting lamellas is obtained in an elongated plate by applying the magnetic field obliquely (following Sharvin) and decreasing it from the critical values. The heat current is set parallel to the lamellas. Due to the peculiar reflection law governing the quasiparticle reflections at a normal-superconductor interphase boundary, the thermal conductivity of the LLS is reduced when the electronic mean free path is larger than or comparable to the width of the lamellas. As first pointed out by Andreev, the reflection occurs with vecotr-momentum conservation, and only the quasiparticles moving nearly parallel to the lamellas can transport heat efficiently. The corresponding reduction of the thermal conductivity is a size effect.Systematic measurements of the thermal conductivity of the LLS in high-purity lead and tin are interpreted in terms of the size-effect model. The parameters of the model were experimentally determined in a preliminary study, to enable an unambiguous comparison with the theory. In particular, the geometrical aspects of the structures were studied using a magnetooptical technique. Interesting results on the characteristics of the LLS were obtained. The thermal conductivity data on lead essentially confirm the size-effect description. In tin heat transport by the lamellas of both types takes place, the heat carriers being the electrons (T > or approx. = 1.6 K). The discrepancy between the predictions of the size-effect model and the observed values in tin are attributed to an oversimplified calculation of the contribution of the superconducting lamellas to the conductivity

  8. Unprecedented Al supersaturation in single-phase rock salt structure VAlN films by Al+ subplantation

    Science.gov (United States)

    Greczynski, G.; Mráz, S.; Hans, M.; Primetzhofer, D.; Lu, J.; Hultman, L.; Schneider, J. M.

    2017-05-01

    Modern applications of refractory ceramic thin films, predominantly as wear-protective coatings on cutting tools and on components utilized in automotive engines, require a combination of excellent mechanical properties, thermal stability, and oxidation resistance. Conventional design approaches for transition metal nitride coatings with improved thermal and chemical stability are based on alloying with Al. It is well known that the solubility of Al in NaCl-structure transition metal nitrides is limited. Hence, the great challenge is to increase the Al concentration substantially while avoiding precipitation of the thermodynamically favored wurtzite-AlN phase, which is detrimental to mechanical properties. Here, we use VAlN as a model system to illustrate a new concept for the synthesis of metastable single-phase NaCl-structure thin films with the Al content far beyond solubility limits obtained with conventional plasma processes. This supersaturation is achieved by separating the film-forming species in time and energy domains through synchronization of the 70-μs-long pulsed substrate bias with intense periodic fluxes of energetic Al+ metal ions during reactive hybrid high power impulse magnetron sputtering of the Al target and direct current magnetron sputtering of the V target in the Ar/N2 gas mixture. Hereby, Al is subplanted into the cubic VN grains formed by the continuous flux of low-energy V neutrals. We show that Al subplantation enables an unprecedented 42% increase in metastable Al solubility limit in V1-xAlxN, from x = 0.52 obtained with the conventional method to 0.75. The elastic modulus is 325 ± 5 GPa, in excellent agreement with density functional theory calculations, and approximately 50% higher than for corresponding films grown by dc magnetron sputtering. The extension of the presented strategy to other Al-ion-assisted vapor deposition methods or materials systems is straightforward, which opens up the way for producing supersaturated single

  9. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M., E-mail: luismiguel.varela@usc.es [Grupo de Nanomateriais e Materia Branda, Departamento de Física da Materia Condensada, Universidade de Santiago de Compostela, Campus Vida s/n, E-15782 Santiago de Compostela (Spain); Cabeza, Oscar [Facultade de Ciencias, Universidade da Coruña, Campus A Zapateira s/n, E-15008 A Coruña (Spain); Fedorov, Maxim [Department of Physics, Scottish University Physics Alliance (SUPA), University of Strathclyde, John Anderson Bldg., 107 Rottenrow East, Glasgow G4 0NG (United Kingdom); Lynden-Bell, Ruth M. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-09-28

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF{sub 6}]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO{sub 3}]{sup −} and [PF{sub 6}]{sup −} anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca{sup 2

  10. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    International Nuclear Information System (INIS)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M.; Cabeza, Oscar; Fedorov, Maxim; Lynden-Bell, Ruth M.

    2015-01-01

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF 6 ]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO 3 ] − and [PF 6 ] − anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca 2+ cations. No qualitative

  11. Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles

    Science.gov (United States)

    Ektarawong, A.; Simak, S. I.; Alling, B.

    2018-05-01

    We perform first-principles calculations to investigate the phase stability of boron carbide, concentrating on the recently proposed alternative structural models composed not only of the regularly studied B11Cp (CBC) and B12(CBC), but also of B12(CBCB) and B12( B4 ). We find that a combination of the four structural motifs can result in low-energy electron precise configurations of boron carbide. Among several considered configurations within the composition range of B10.5C and B4C , we identify in addition to the regularly studied B11Cp (CBC) at the composition of B4C two low-energy configurations, resulting in a new view of the B-C convex hull. Those are [B12 (CBC)]0.67[B12(B4)] 0.33 and [B12 (CBC)]0.67[ B12 (CBCB)]0.33, corresponding to compositions of B10.5C and B6.67C , respectively. As a consequence, B12(CBC) at the composition of B6.5C , previously suggested in the literature as a stable configuration of boron carbide, is no longer part of the B -C convex hull. By inspecting the electronic density of states as well as the elastic moduli, we find that the alternative models of boron carbide can provide a reasonably good description for electronic and elastic properties of the material in comparison with the experiments, highlighting the importance of considering B12(CBCB) and B12( B4 ), together with the previously proposed B11Cp (CBC) and B12(CBC), as the crucial ingredients for modeling boron carbide with compositions throughout the single-phase region.

  12. Synthesis, structure, growth and characterization of a novel organic NLO single crystal: Morpholin-4-ium p-aminobenzoate

    Energy Technology Data Exchange (ETDEWEB)

    Shanmugam, G. [Department of Physics, Anna University of Technology Tiruchirappalli, Tiruchirappalli 620024 (India); Ravi Kumar, K.; Sridhar, B. [X-ray Crystallography Division, Indian Institute of Chemical Technology, CSIR, Hyderabad 500007 (India); Brahadeeswaran, S., E-mail: sbrag67@yahoo.com [Department of Physics, Anna University of Technology Tiruchirappalli, Tiruchirappalli 620024 (India)

    2012-09-15

    Highlights: ► A new organic NLO crystal morpholin-4-ium p-aminobenzoate has been grown for the first time. ► The structure is reported for the first time in the literature. ► Thermal, optical and SHG studies suggest its suitability for various NLO applications. -- Abstract: The title compound, morpholin-4-ium p-aminobenzoate (MPABA)(C{sub 4}H{sub 10}NO{sup +},C{sub 7}H{sub 6}NO{sub 2}{sup −}), has been synthesized for the first time by the addition of morpholine with 4-aminobenzoic acid in equi-molar ratio and good quality single crystals have been grown by solution growth technique using methanol as a solvent. The molecular structure of the compound was solved and refined by Direct Methods using SHELXS97 and full-matrix least-squares technique using SHELXL97, respectively. MPABA crystallizes in a monoclinic system with unit cell parameters, a = 5.948(5) Å, b = 18.033(4) Å, c = 10.577(5) Å, β = 90.40(1)° and non-centrosymmetric space group Cc. The experimentally measured density and chemical compositions were found to be in good agreement with the theoretical values. The phases and functional groups of MPABA have been identified and confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The thermal stability and decomposition details were studied through TG/DTA thermograms. The UV–visible transmission spectra were recorded for the grown crystal and its NLO characteristic was explored by powder second harmonic generation (SHG) studies.

  13. Synthesis, structure, growth and characterization of a novel organic NLO single crystal: Morpholin-4-ium p-aminobenzoate

    International Nuclear Information System (INIS)

    Shanmugam, G.; Ravi Kumar, K.; Sridhar, B.; Brahadeeswaran, S.

    2012-01-01

    Highlights: ► A new organic NLO crystal morpholin-4-ium p-aminobenzoate has been grown for the first time. ► The structure is reported for the first time in the literature. ► Thermal, optical and SHG studies suggest its suitability for various NLO applications. -- Abstract: The title compound, morpholin-4-ium p-aminobenzoate (MPABA)(C 4 H 10 NO + ,C 7 H 6 NO 2 − ), has been synthesized for the first time by the addition of morpholine with 4-aminobenzoic acid in equi-molar ratio and good quality single crystals have been grown by solution growth technique using methanol as a solvent. The molecular structure of the compound was solved and refined by Direct Methods using SHELXS97 and full-matrix least-squares technique using SHELXL97, respectively. MPABA crystallizes in a monoclinic system with unit cell parameters, a = 5.948(5) Å, b = 18.033(4) Å, c = 10.577(5) Å, β = 90.40(1)° and non-centrosymmetric space group Cc. The experimentally measured density and chemical compositions were found to be in good agreement with the theoretical values. The phases and functional groups of MPABA have been identified and confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The thermal stability and decomposition details were studied through TG/DTA thermograms. The UV–visible transmission spectra were recorded for the grown crystal and its NLO characteristic was explored by powder second harmonic generation (SHG) studies.

  14. Mould insert fabrication of a single-mode fibre connector alignment structure optimized by justified partial metallization

    International Nuclear Information System (INIS)

    Wissmann, Markus; Barié, Nicole; Guttmann, Markus; Schneider, Marc; Kolew, Alexander; Besser, Heino; Pfleging, Wilhelm; Hofmann, Andreas; Van Erps, Jürgen; Beri, Stefano; Watté, Jan

    2015-01-01

    For mass production of multiscale-optical components, microstructured moulding tools are needed. Metal tools are used for hot embossing or injection moulding of microcomponents made of a thermoplastic polymer. Microstructures with extremely tight specifications, e.g. low side wall roughness and high aspect ratios are generally made by lithographic procedures such as x-ray lithography or deep proton writing. However, these processes are unsuitable for low-cost mass production. An alternative manufacturing method of moulding tools has been developed at the Karlsruhe Institute of Technology (KIT). This article describes a mould insert fabrication and a new replication process for self-centring fibre alignment structures for low loss field installable single-mode fibre connectors, developed and fabricated by the Vrije Universiteit Brussel (VUB) in collaboration with TE Connectivity. These components are to be used in fibre-to-the-home networks and support the deployment and maintenance of fibre optic links. The special feature of this particular fibre connector is a self-centring fibre alignment, achieved by means of a through hole with deflectable cantilevers acting as micro-springs. The particular challenge is the electroforming of through holes with a centre hole diameter smaller than 125 µm. The fibre connector structure is prototyped by deep proton writing in polymethylmethacrylate and used as a sacrificial part. Using joining, physical vapour deposition and electroforming technology, a negative copy of the prototyped connector is transferred into nickel to be used as a moulding tool. The benefits of this replication technique are a rapid and economical fabrication of moulding tools with high-precision microstructures and a long tool life. With these moulding tools low-cost mass production is possible. We present the manufacturing chain we have established. Each individual manufacturing step of the mould insert fabrication will be shown in this report. The

  15. Fine structure of excitons and electron-hole exchange energy in polymorphic CsPbBr3 single nanocrystals.

    Science.gov (United States)

    Ramade, Julien; Andriambariarijaona, Léon Marcel; Steinmetz, Violette; Goubet, Nicolas; Legrand, Laurent; Barisien, Thierry; Bernardot, Frédérick; Testelin, Christophe; Lhuillier, Emmanuel; Bramati, Alberto; Chamarro, Maria

    2018-04-05

    All inorganic CsPbX3 (X = Cl, Br, I) nanocrystals (NCs) belong to the novel class of confined metal-halide perovskites which are currently arousing enthusiasm and stimulating huge activity across several fields of optoelectronics due to outstanding properties. A deep knowledge of the band-edge excitonic properties of these materials is thus crucial to further optimize their performances. Here, high-resolution photoluminescence (PL) spectroscopy of single bromide-based NCs reveals the exciton fine structure in the form of sharp peaks that are linearly polarized and grouped in doublets or triplets, which directly mirror the adopted crystalline structure, tetragonal (D4h symmetry) or orthorhombic (D2h symmetry). Intelligible equations are found that show how the fundamental parameters (spin-orbit coupling, ΔSO, crystal field term, T, and electron-hole exchange energy, J) rule the energy spacings in doublets and triplets. From experimental data, fine estimations of each parameter are obtained. The analysis of the absorption spectra of an ensemble of NCs with a "quasi-bulk" behavior leads to ΔSO = 1.20 ± 0.06 eV and T = -0.34 ± 0.05 eV in CsPbBr3. The study of individual luminescence responses of NCs having sizes comparable to the exciton Bohr diameter, 7 nm, allows us to estimate the value of J to be around ≈3 meV in both tetragonal and orthorhombic phases. This value is already enhanced by confinement.

  16. Observation of martensitic structure evolution in Cu-Al-Ni single crystals with shape memory effect under external load using photoacoustic microscopy

    International Nuclear Information System (INIS)

    Muratikov, K.L.; Glazov, A.L.; Nikolaev, V.I.; Pul'nev, S.A.

    2006-01-01

    Photoacoustic microscopy is applied to observe the surface structure of Cu-Al-Ni shape-memory single crystals in both the loaded and unloaded states. Visualizing the early stages of the loading-induced martensitic transformation in Cu-Al-Ni single crystals is demonstrated to be feasible. The photoacoustic images are distinguished to advantage from the corresponding optical images by a higher contrast between different phases of the Cu-Al-Ni shape-memory alloy [ru

  17. Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

    Science.gov (United States)

    Yilmaz, Hayriye; Rasulev, Bakhtiyor; Leszczynski, Jerzy

    2015-01-01

    The knowledge of physico-chemical properties of carbon nanotubes, including behavior in organic solvents is very important for design, manufacturing and utilizing of their counterparts with improved properties. In the present study a quantitative structure-activity/property relationship (QSAR/QSPR) approach was applied to predict the dispersibility of single walled carbon nanotubes (SWNTs) in various organic solvents. A number of additive descriptors and quantum-chemical descriptors were calculated and utilized to build QSAR models. The best predictability is shown by a 4-variable model. The model showed statistically good results (R2training = 0.797, Q2 = 0.665, R2test = 0.807), with high internal and external correlation coefficients. Presence of the X0Av descriptor and its negative term suggest that small size solvents have better SWCNTs solubility. Mass weighted descriptor ATS6m also indicates that heavier solvents (and small in size) most probably are better solvents for SWCNTs. The presence of the Dipole Z descriptor indicates that higher polarizability of the solvent molecule increases the solubility. The developed model and contributed descriptors can help to understand the mechanism of the dispersion process and predictorganic solvents that improve the dispersibility of SWNTs. PMID:28347035

  18. Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

    Directory of Open Access Journals (Sweden)

    Hayriye Yilmaz

    2015-05-01

    Full Text Available The knowledge of physico-chemical properties of carbon nanotubes, including behavior in organic solvents is very important for design, manufacturing and utilizing of their counterparts with improved properties. In the present study a quantitative structure-activity/property relationship (QSAR/QSPR approach was applied to predict the dispersibility of single walled carbon nanotubes (SWNTs in various organic solvents. A number of additive descriptors and quantum-chemical descriptors were calculated and utilized to build QSAR models. The best predictability is shown by a 4-variable model. The model showed statistically good results (R2training = 0.797, Q2 = 0.665, R2test = 0.807, with high internal and external correlation coefficients. Presence of the X0Av descriptor and its negative term suggest that small size solvents have better SWCNTs solubility. Mass weighted descriptor ATS6m also indicates that heavier solvents (and small in size most probably are better solvents for SWCNTs. The presence of the Dipole Z descriptor indicates that higher polarizability of the solvent molecule increases the solubility. The developed model and contributed descriptors can help to understand the mechanism of the dispersion process and predictorganic solvents that improve the dispersibility of SWNTs.

  19. 6-Pyruvoyltetrahydropterin synthase orthologs of either a single or dual domain structure are responsible for tetrahydrobiopterin synthesis in bacteria.

    Science.gov (United States)

    Kong, Jin Sun; Kang, Ji-Youn; Kim, Hye Lim; Kwon, O-Seob; Lee, Kon Ho; Park, Young Shik

    2006-09-04

    6-Pyruvoyltetrahydropterin synthase (PTPS) catalyzes the second step of tetrahydrobiopterin (BH4) synthesis. We previously identified PTPS orthologs (bPTPS-Is) in bacteria which do not produce BH4. In this study we disrupted the gene encoding bPTPS-I in Synechococcus sp. PCC 7942, which produces BH4-glucoside. The mutant was normal in BH4-glucoside production, demonstrating that bPTPS-I does not participate in BH4 synthesis in vivo and bringing us a new PTPS ortholog (bPTPS-II) of a bimodular polypeptide. The recombinant Synechococcus bPTPS-II was assayed in vitro to show PTPS activity higher than human enzyme. Further computational analysis revealed the presence of mono and bimodular bPTPS-II orthologs mostly in green sulfur bacteria and cyanobacteria, respectively, which are well known for BH4-glycoside production. In summary we found new bacterial PTPS orthologs, having either a single or dual domain structure and being responsible for BH4 synthesis in vivo, thereby disclosing all the bacterial PTPS homologs.

  20. Quantitative historical analysis uncovers a single dimension of complexity that structures global variation in human social organization

    Science.gov (United States)

    Turchin, Peter; Currie, Thomas E.; Whitehouse, Harvey; François, Pieter; Feeney, Kevin; Mullins, Daniel; Hoyer, Daniel; Collins, Christina; Grohmann, Stephanie; Mendel-Gleason, Gavin; Turner, Edward; Dupeyron, Agathe; Cioni, Enrico; Reddish, Jenny; Levine, Jill; Jordan, Greine; Brandl, Eva; Williams, Alice; Cesaretti, Rudolf; Krueger, Marta; Ceccarelli, Alessandro; Figliulo-Rosswurm, Joe; Tuan, Po-Ju; Peregrine, Peter; Marciniak, Arkadiusz; Preiser-Kapeller, Johannes; Kradin, Nikolay; Korotayev, Andrey; Palmisano, Alessio; Baker, David; Bidmead, Julye; Bol, Peter; Christian, David; Cook, Connie; Covey, Alan; Feinman, Gary; Júlíusson, Árni Daníel; Kristinsson, Axel; Miksic, John; Mostern, Ruth; Petrie, Cameron; Rudiak-Gould, Peter; ter Haar, Barend; Wallace, Vesna; Mair, Victor; Xie, Liye; Baines, John; Bridges, Elizabeth; Manning, Joseph; Lockhart, Bruce; Bogaard, Amy; Spencer, Charles

    2018-01-01

    Do human societies from around the world exhibit similarities in the way that they are structured, and show commonalities in the ways that they have evolved? These are long-standing questions that have proven difficult to answer. To test between competing hypotheses, we constructed a massive repository of historical and archaeological information known as “Seshat: Global History Databank.” We systematically coded data on 414 societies from 30 regions around the world spanning the last 10,000 years. We were able to capture information on 51 variables reflecting nine characteristics of human societies, such as social scale, economy, features of governance, and information systems. Our analyses revealed that these different characteristics show strong relationships with each other and that a single principal component captures around three-quarters of the observed variation. Furthermore, we found that different characteristics of social complexity are highly predictable across different world regions. These results suggest that key aspects of social organization are functionally related and do indeed coevolve in predictable ways. Our findings highlight the power of the sciences and humanities working together to rigorously test hypotheses about general rules that may have shaped human history. PMID:29269395