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Sample records for imperfect hexagonal lattice

  1. Stimulation of vapor nucleation on perfect and imperfect hexagonal lattice surfaces

    SciTech Connect

    Shevkunov, S. V.

    2008-12-15

    Monte Carlo simulations of water vapor nucleation on a perfect crystal surface and on a surface with defects are performed. Mass exchange with the vapor phase is modeled by using an open ensemble. Cluster-substrate interaction is described in terms of conventional atom-atom potentials. The Hamiltonian of the system includes expressions for electrostatic, polarization, exchange, and dispersion interactions. The Gibbs free energy and work of adsorption are calculated by Monte Carlo simulation in the bicanoinical ensemble. The microscopic structure of nuclei is analyzed in terms of pair correlation functions. Periodic boundary conditions are used to simulate an infinite substrate surface. Molecule-substrate and molecule-molecule long-range electrostatic interactions are calculated by summing the Fourier harmonics of the electrostatic potential. Dispersion interactions are calculated by direct summation over layers of unit cells. Nucleation on a surface with matching structure follows a layer-by-layer mechanism. The work of adsorption per molecule of a monolayer on the substrate surface has a maximum as a function of nucleus size. The steady rate of nucleation of islands of supercritical size is evaluated. The work of adsorption per molecule for layer-by-layer film growth is an oscillating function of cluster size. As a function of layer number, it has a minimum depending on the vapor pressure. The electric field generated by a microscopic surface protrusion destroys the layered structure of the condensate and eliminates free-energy nucleation barriers. However, point lattice defects do not stimulate explosive nucleation.

  2. Discrete breathers in hexagonal dusty plasma lattices.

    PubMed

    Koukouloyannis, V; Kourakis, I

    2009-08-01

    The occurrence of single-site or multisite localized vibrational modes, also called discrete breathers, in two-dimensional hexagonal dusty plasma lattices is investigated. The system is described by a Klein-Gordon hexagonal lattice characterized by a negative coupling parameter epsilon in account of its inverse dispersive behavior. A theoretical analysis is performed in order to establish the possibility of existence of single as well as three-site discrete breathers in such systems. The study is complemented by a numerical investigation based on experimentally provided potential forms. This investigation shows that a dusty plasma lattice can support single-site discrete breathers, while three-site in phase breathers could exist if specific conditions, about the intergrain interaction strength, would hold. On the other hand, out of phase and vortex three-site breathers cannot be supported since they are highly unstable.

  3. Discrete breathers in hexagonal dusty plasma lattices

    SciTech Connect

    Koukouloyannis, V.; Kourakis, I.

    2009-08-15

    The occurrence of single-site or multisite localized vibrational modes, also called discrete breathers, in two-dimensional hexagonal dusty plasma lattices is investigated. The system is described by a Klein-Gordon hexagonal lattice characterized by a negative coupling parameter epsilon in account of its inverse dispersive behavior. A theoretical analysis is performed in order to establish the possibility of existence of single as well as three-site discrete breathers in such systems. The study is complemented by a numerical investigation based on experimentally provided potential forms. This investigation shows that a dusty plasma lattice can support single-site discrete breathers, while three-site in phase breathers could exist if specific conditions, about the intergrain interaction strength, would hold. On the other hand, out of phase and vortex three-site breathers cannot be supported since they are highly unstable.

  4. Ultracold Quantum Gases in Hexagonal Optical Lattices

    NASA Astrophysics Data System (ADS)

    Sengstock, Klaus

    2010-03-01

    Hexagonal structures occur in a vast variety of systems, ranging from honeycombs of bees in life sciences to carbon nanotubes in material sciences. The latter, in particular its unfolded two-dimensional layer -- Graphene -- has rapidly grown to one of the most discussed topics in condensed-matter physics. Not only does it show proximity to various carbon-based materials but also exceptional properties owing to its unusual energy spectrum. In quantum optics, ultracold quantum gases confined in periodic light fields have shown to be very general and versatile instruments to mimic solid state systems. However, so far nearly all experiments were performed in cubic lattice geometries only. Here we report on the first experimental realization of ultracold quantum gases in a state-dependent, two-dimensional, Graphene-like optical lattice with hexagonal symmetry. The lattice is realized via a spin-dependent optical lattice structure with alternating σ^+ and σ^- -sites and thus constitutes a so called `magnetic'-lattice with `antiferromagnetic'-structure. Atoms with different spin orientation can be loaded to specific lattice sites or -- depending on the parameters -- to the whole lattice. As a consequence e.g. superpositions of a superfluid spin component with a different spin component in the Mott-insulating phase can be realized as well as spin-dependent transport properties, disorder etc. After preparing an antiferromagnetically ordered state we e.g. measure sustainable changes of the transport properties of the atoms. This manifests in a significant reduction of the tunneling as compared to a single-component system. We attribute this observation to a partial tunneling blockade for one spin component induced by population in another spin component localized at alternating lattice sites. Within a Gutzwiller-Ansatz we calculate the phase diagrams for the mixed spin-states and find very good agreement with our experimental results. Moreover, by state-resolved recording

  5. Topological states in two-dimensional hexagon lattice bilayers

    NASA Astrophysics Data System (ADS)

    Zhang, Ming-Ming; Xu, Lei; Zhang, Jun

    2016-10-01

    We investigate the topological states of the two-dimensional hexagon lattice bilayer. The system exhibits a quantum valley Hall (QVH) state when the interlayer interaction t⊥ is smaller than the nearest neighbor hopping energy t, and then translates to a trivial band insulator state when t⊥ / t > 1. Interestingly, the system is found to be a single-edge QVH state with t⊥ / t = 1. The topological phase transition also can be presented via changing bias voltage and sublattice potential in the system. The QVH states have different edge modes carrying valley current but no net charge current. The bias voltage and external electric field can be tuned easily in experiments, so the present results will provide potential application in valleytronics based on the two-dimensional hexagon lattice.

  6. Lattice-Polarity-Driven Epitaxy of Hexagonal Semiconductor Nanowires.

    PubMed

    Wang, Ping; Yuan, Ying; Zhao, Chao; Wang, Xinqiang; Zheng, Xiantong; Rong, Xin; Wang, Tao; Sheng, Bowen; Wang, Qingxiao; Zhang, Yongqiang; Bian, Lifeng; Yang, Xuelin; Xu, Fujun; Qin, Zhixin; Li, Xinzheng; Zhang, Xixiang; Shen, Bo

    2016-02-10

    Lattice-polarity-driven epitaxy of hexagonal semiconductor nanowires (NWs) is demonstrated on InN NWs. In-polarity InN NWs form typical hexagonal structure with pyramidal growth front, whereas N-polarity InN NWs slowly turn to the shape of hexagonal pyramid and then convert to an inverted pyramid growth, forming diagonal pyramids with flat surfaces and finally coalescence with each other. This contrary growth behavior driven by lattice-polarity is most likely due to the relatively lower growth rate of the (0001̅) plane, which results from the fact that the diffusion barriers of In and N adatoms on the (0001) plane (0.18 and 1.0 eV, respectively) are about 2-fold larger in magnitude than those on the (0001̅) plane (0.07 and 0.52 eV), as calculated by first-principles density functional theory (DFT). The formation of diagonal pyramids for the N-polarity hexagonal NWs affords a novel way to locate quantum dot in the kink position, suggesting a new recipe for the fabrication of dot-based devices.

  7. Isospin correlations in two-partite hexagonal optical lattices

    NASA Astrophysics Data System (ADS)

    Prada, Marta; Richter, Eva-Maria; Pfannkuche, Daniela

    2014-07-01

    Two-component mixtures in optical lattices reveal a rich variety of different phases. We employ an exact diagonalization method to obtain the relevant correlation functions in hexagonal optical lattices which characterize those phases. We relate the occupation difference of the two species to the magnetic polarization. "Iso" -magnetic correlations disclose the nature of the system, which can be of easy-axis type, bearing phase segregation, or of easy-plane type, corresponding to super-counter-fluidity. In the latter case, the correlations reveal easy-plane segregation, involving a highly entangled state. We identify striking correlated supersolid phases appearing within the superfluid limit.

  8. Resistance calculation of three-dimensional triangular and hexagonal prism lattices

    NASA Astrophysics Data System (ADS)

    Owaidat, M. Q.; Asad, J. H.

    2016-09-01

    The resistance between two arbitrary lattice sites in infinite three-dimensional triangular and hexagonal prism lattice networks of equal resistances, that have not been studied before, is computed by using lattice Green's function technique. For large separation between lattice points we numerically calculate the asymptotic value of the resistance for these lattices.

  9. Internal structure of hexagonal skyrmion lattices in cubic helimagnets

    NASA Astrophysics Data System (ADS)

    McGrouther, D.; Lamb, R. J.; Krajnak, M.; McFadzean, S.; McVitie, S.; Stamps, R. L.; Leonov, A. O.; Bogdanov, A. N.; Togawa, Y.

    2016-09-01

    We report the most precise observations to date concerning the spin structure of magnetic skyrmions in a nanowedge specimen of cubic B20 structured FeGe. Enabled by our development of advanced differential phase contrast (DPC) imaging (in a scanning transmission electron microscope (STEM)) we have obtained high spatial resolution quantitative measurements of skyrmion internal spin profile. For hexagonal skyrmion lattice cells, stabilised by an out-plane applied magnetic field, mapping of the in-plane component of magnetic induction has revealed precise spin profiles and that the internal structure possesses intrinsic six-fold symmetry. With increasing field strength, the diameter of skyrmion cores was measured to decrease and accompanied by a nonlinear variation of the lattice periodicity. Variations in structure for individual skyrmions across an area of the lattice were also studied utilising a new increased sensitivity DPC detection scheme and a variety of symmetry lowering distortions were observed. To provide insight into fundamental energetics we have constructed a phenomenological model, with which our experimental observations of spin profiles and field induced core diameter variation are in good agreement with predicted structure in the middle of the nanowedge crystal. In the vicinity of the crystal surfaces, our model predicts the existence of in-plane twisting distortions which our current experimental observations were not sensitive to. As an alternative to the requirement for as yet unidentified sources of magnetic anisotropy, we demonstrate that surface states could provide the energetic stabilisation needed for predomination over the conical magnetic phase.

  10. Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices

    NASA Astrophysics Data System (ADS)

    Hoq, Q. E.; Kevrekidis, P. G.; Bishop, A. R.

    2016-02-01

    In the present work, we consider the self-focusing discrete nonlinear Schrödinger equation on hexagonal and honeycomb lattice geometries. Our emphasis is on the study of the effects of anisotropy, motivated by the tunability afforded in recent optical and atomic physics experiments. We find that multi-soliton and discrete vortex states undergo destabilizing bifurcations as the relevant anisotropy control parameter is varied. We quantify these bifurcations by means of explicit analytical calculations of the solutions, as well as of their spectral linearization eigenvalues. Finally, we corroborate the relevant stability picture through direct numerical computations. In the latter, we observe the prototypical manifestation of these instabilities to be the spontaneous rearrangement of the solution, for larger values of the coupling, into localized waveforms typically centered over fewer sites than the original unstable structure. For weak coupling, the instability appears to result in a robust breathing of the relevant waveforms.

  11. Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices

    DOE PAGES

    Hoq, Q. E.; Kevrekidis, P. G.; Bishop, A. R.

    2016-01-14

    We consider the self-focusing discrete nonlinear Schrödinger equation on hexagonal and honeycomb lattice geometries. Our emphasis is on the study of the effects of anisotropy, motivated by the tunability afforded in recent optical and atomic physics experiments. We find that multi-soliton and discrete vortex states undergo destabilizing bifurcations as the relevant anisotropy control parameter is varied. Furthermore, we quantify these bifurcations by means of explicit analytical calculations of the solutions, as well as of their spectral linearization eigenvalues. Finally, we corroborate the relevant stability picture through direct numerical computations. In the latter, we observe the prototypical manifestation of these instabilitiesmore » to be the spontaneous rearrangement of the solution, for larger values of the coupling, into localized waveforms typically centered over fewer sites than the original unstable structure. In weak coupling, the instability appears to result in a robust breathing of the relevant waveforms.« less

  12. New configuration of photonic logic gates based on single hexagonal-lattice photonic crystal ring resonator

    NASA Astrophysics Data System (ADS)

    Jiang, JunZhen; Wang, Junqin; Xu, Xiaofu; Li, Junjun; Chen, Xiyao; Qiu, Yishen; Qiang, Zexuan

    2010-10-01

    We report a new configuration of logic gates based on single hexagonal-lattice PCRR composed of cylindrical silicon rods in air. Two types of inner ring including regular hexagonal and circular are numerically discussed by using 2D finite-difference time-domain (FDTD) technique. The impact of surrounding periods and scatterers like size and relative phase at each input port was investigated. The logic '0' and '1' of hexagonal ring can be defined as less than 17% and greater than 85%, respectively, much better than early reported square-lattice results. The simulation results also proved that photonic logic gates based on this new single PCRR can really function as NOT and NOR gates, respectively. These findings make PCRRs potential applications for all-optical logic circuits and ultra-compact high density photonic integration.

  13. Nonlinear propagating localized modes in a 2D hexagonal crystal lattice

    NASA Astrophysics Data System (ADS)

    Bajars, Janis; Eilbeck, J. Chris; Leimkuhler, Benedict

    2015-05-01

    In this paper we consider a 2D hexagonal crystal lattice model first proposed by Marín, Eilbeck and Russell in 1998. We perform a detailed numerical study of nonlinear propagating localized modes, that is, propagating discrete breathers and kinks. The original model is extended to allow for arbitrary atomic interactions, and to allow atoms to travel out of the unit cell. A new on-site potential is considered with a periodic smooth function with hexagonal symmetry. We are able to confirm the existence of long-lived propagating discrete breathers. Our simulations show that, as they evolve, breathers appear to localize in frequency space, i.e. the energy moves from sidebands to a main frequency band. Our numerical findings shed light on the open question of whether exact moving breather solutions exist in 2D hexagonal layers in physical crystal lattices.

  14. Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions

    NASA Astrophysics Data System (ADS)

    Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René

    2016-06-01

    Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states.

  15. Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions.

    PubMed

    Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René

    2016-06-24

    Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states. PMID:27391753

  16. Dust Lattice Waves in Two-Dimensional Hexagonal Dust Crystals with an External Magnetic Field

    SciTech Connect

    Farokhi, B.; Shahmansouri, M.

    2008-09-07

    The influence of a constant magnetic field on the propagation of dust-lattice (DL) modes in a two-dimensional hexagonal strongly coupled plasma crystal formed by paramagnetic particles is considered. The expression for the wave dispersion relation clearly shows that high-frequency and low-frequency branches exist as a result of the coupling of longitudinal and transverse modes due to the Lorentz force acting on the dust particles.

  17. Single pentagon in a hexagonal carbon lattice revealed by scanning tunneling microscopy

    SciTech Connect

    An, B.; Fukuyama, S.; Yokogawa, K.; Yoshimura, M.; Egashira, M.; Korai, Y.; Mochida, I.

    2001-06-04

    The electronic structure of a single pentagon in a hexagonal carbon lattice has been revealed on an atomic scale by scanning tunneling microscopy. The pentagon is located at the apex of the conical protuberance of the graphitic particle. The enhanced charge density localized at each carbon atom in the pentagon is identified, and the ringlike pattern of the ({radical}3{times}{radical}3)R30{degree} superstructure of graphite is clearly observed around the pentagon. {copyright} 2001 American Institute of Physics.

  18. Symmetry analysis of translational symmetry broken density waves: Application to hexagonal lattices in two dimensions

    NASA Astrophysics Data System (ADS)

    Venderbos, J. W. F.

    2016-03-01

    In this work we introduce a symmetry classification for electronic density waves which break translational symmetry due to commensurate wave-vector modulations. The symmetry classification builds on the concept of extended point groups: symmetry groups which contain, in addition to the lattice point group, translations that do not map the enlarged unit cell of the density wave to itself, and become "nonsymmorphic"-like elements. Multidimensional representations of the extended point group are associated with degenerate wave vectors. Electronic properties such as (nodal) band degeneracies and topological character can be straightforwardly addressed, and often follow directly. To further flesh out the idea of symmetry, the classification is constructed so as to manifestly distinguish time-reversal invariant charge (i.e., site and bond) order, and time-reversal breaking flux order. For the purpose of this work, we particularize to spin-rotation invariant density waves. As a first example of the application of the classification we consider the density waves of a simple single- and two-orbital square lattice model. The main objective, however, is to apply the classification to two-dimensional (2D) hexagonal lattices, specifically the triangular and the honeycomb lattices. The multicomponent density waves corresponding to the commensurate M -point ordering vectors are worked out in detail. To show that our results generally apply to 2 D hexagonal lattices, we develop a general low-energy SU(3 ) theory of (spinless) saddle-point electrons.

  19. Nematic Liquid Crystal on a Two Dimensional Hexagonal Lattice and its Application

    NASA Astrophysics Data System (ADS)

    Arslan Shehzad, Muhammad; Hoang Tien, Dung; Waqas Iqbal, M.; Eom, Jonghwa; Park, J. H.; Hwang, Chanyong; Seo, Yongho

    2015-08-01

    We have studied the alignment of liquid crystal adsorbed onto graphene and hexagonal boron nitride by using a polarized optical microscope. From the experimental data, it was found that there were 6 different alignment orientations of the liquid crystal molecules on a single crystal substrate. This result has never been reported and is quite different from other previous results. As the hexagonal lattice has a threefold rotational symmetry, three different alignment orientations were expected, but our result seems counter-intuitive. We explain this result considering the bending of the tail of the liquid crystal molecules. Using this anchoring effect with six accurate discrete angles, a novel non-volatile display can be developed with micron-scale pixel size, due to the molecular level accuracy of the alignment.

  20. Nematic Liquid Crystal on a Two Dimensional Hexagonal Lattice and its Application

    PubMed Central

    Arslan Shehzad, Muhammad; Hoang Tien, Dung; Waqas Iqbal, M; Eom, Jonghwa; Park, J. H.; Hwang, Chanyong; Seo, Yongho

    2015-01-01

    We have studied the alignment of liquid crystal adsorbed onto graphene and hexagonal boron nitride by using a polarized optical microscope. From the experimental data, it was found that there were 6 different alignment orientations of the liquid crystal molecules on a single crystal substrate. This result has never been reported and is quite different from other previous results. As the hexagonal lattice has a threefold rotational symmetry, three different alignment orientations were expected, but our result seems counter-intuitive. We explain this result considering the bending of the tail of the liquid crystal molecules. Using this anchoring effect with six accurate discrete angles, a novel non-volatile display can be developed with micron-scale pixel size, due to the molecular level accuracy of the alignment. PMID:26290037

  1. Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices

    DOE PAGES

    Chong, C.; Kevrekidis, P. G.; Ablowitz, M. J.; Ma, Yi-Ping

    2016-01-25

    We explore linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. Formore » weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. Lastly, the transition between these two types of propagation is explored.« less

  2. Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices.

    PubMed

    Chong, C; Kevrekidis, P G; Ablowitz, M J; Ma, Yi-Ping

    2016-01-01

    Linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices are explored in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. For weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. The transition between these two types of propagation is explored.

  3. What are the possible moiré patterns of graphene on hexagonally packed surfaces? Universal solution for hexagonal coincidence lattices, derived by a geometric construction

    NASA Astrophysics Data System (ADS)

    Zeller, Patrick; Günther, Sebastian

    2014-08-01

    We present a systematic investigation of two coinciding lattices and their spatial beating frequencies that lead to the formation of moiré patterns. A mathematical model was developed and applied for the case of a hexagonally arranged adsorbate on a hexagonal support lattice. In particular, it describes the moiré patterns observed for graphene grown on a hexagonally arranged transition metal surface, a system that serves as one of the promising synthesis routes for the formation of this highly wanted material. The presented model uses a geometric construction that derives analytic expressions for first and higher order beating frequencies occurring for arbitrarily oriented graphene on the underlying substrate lattice. By solving the corresponding equations, we predict the size and orientation of the resulting moiré pattern. Adding the constraints for commensurability delivers further solvable analytic equations that predict whether or not first or higher order commensurable phases occur. We explicitly treat the case for first, second and third order commensurable phases. The universality of our approach is tested by comparing our data with moiré patterns that are experimentally observed for graphene on Ir(111) and on Pt(111). Our analysis can be applied for graphene, hexagonal boron nitride (h-BN), or other sp2-networks grown on any hexagonally packed support surface predicting the size, orientation and properties of the resulting moiré patterns. In particular, we can determine which commensurate phases are expected for these systems. The derived information can be used to critically discuss the moiré phases reported in the literature.

  4. On the influence of hexagonal lattice photonic crystal fiber parameters on femtosecond grating inscription

    NASA Astrophysics Data System (ADS)

    Baghdasaryan, Tigran; Geernaert, Thomas; Berghmans, Francis; Thienpont, Hugo

    2012-04-01

    Photonic crystal fibers (PCFs) offer great design flexibility as their internal microstructure can be tailored to achieve a wide range of optical guiding properties adapted to many different applications. Fiber Bragg grating fabrication in such fibers is now extensively investigated to enable new fiber sensor and all-fiber laser applications. Grating writing in PCF is not necessarily straightforward. This is due, to a large extent, to the air hole microstructure in the fiber cladding that impedes the inscribing beam intensity to reach the fiber core in sufficient amounts. This issue is more pronounced for multi-photon absorption based grating inscription techniques, for which the intensity of the light reaching the core is crucial to induce the desired refractive index change. We performed a numerical study of transverse light propagation through the cladding to the core for various hexagonal lattice PCFs. A numerical tool based on commercial FDTD software was developed for that purpose. To assess the influence of the PCF microstructured cladding, we defined a figure of merit to quantify the amount of laser light reaching the core: the "transverse coupling efficiency" (TCE). We studied the influence of the hexagonal lattice parameters, in particular the air hole radius and pitch, on the energy reaching the core for various angular orientations of the fiber with respect to the impinging laser beam. We conducted this study for ultraviolet and infrared femtosecond laser sources. As a result we have identified favorable PCF lattice parameters and a fiber orientation that would allow efficient femtosecond grating inscription. We show that the microstructure of a PCF can not only have a limiting, but also a constructive influence on the laser energy reaching the core of the fiber and thus on the efficiency with which gratings can be inscribed.

  5. Electronic state of a CoO2 layer with hexagonal structure: a Kagomé lattice structure in a triangular lattice.

    PubMed

    Koshibae, W; Maekawa, S

    2003-12-19

    The electronic state in layered cobalt oxides with a hexagonal structure is examined. We find that the electronic structure reflects the nature of the Kagomé lattice hidden in the CoO2 layer which consists of stacked triangular lattices of oxygen ions and of cobalt ions. A fundamental model for the electron system is proposed, and the mechanism of the unique transport and magnetic properties of the cobalt oxides are discussed in light of the model.

  6. The Calculation of the Band Structure in 3D Phononic Crystal with Hexagonal Lattice

    NASA Astrophysics Data System (ADS)

    Aryadoust, Mahrokh; Salehi, H.

    2015-12-01

    In this article, the propagation of acoustic waves in the phononic crystals (PCs) of three dimensions with the hexagonal (HEX) lattice is studied theoretically. The PCs are constituted of nickel (Ni) spheres embedded in epoxy. The calculations of the band structure and the density of states are performed using the plane wave expansion (PWE) method in the irreducible part of the Brillouin zone (BZ). In this study, we analyse the dependence of the band structures inside (the complete band gap width) on c/a and filling fraction in the irreducible part of the first BZ. Also, we have analysed the band structure of the ALHA and MLHKM planes. The results show that the maximum width of absolute elastic band gap (AEBG) (0.045) in the irreducible part of the BZ of HEX lattice is formed for c/a=6 and filling fraction equal to 0.01. In addition, the maximum of the first and second AEBG widths are 0.0884 and 0.0474, respectively, in the MLHKM plane, and the maximum of the first and second AEBG widths are 0.0851 and 0.0431, respectively, in the ALHA plane.

  7. Two-dimensional transition metal dichalcogenides with a hexagonal lattice: Room-temperature quantum spin Hall insulators

    NASA Astrophysics Data System (ADS)

    Ma, Yandong; Kou, Liangzhi; Li, Xiao; Dai, Ying; Heine, Thomas

    2016-01-01

    So far, several transition metal dichalcogenide (TMDC)-based two-dimensional (2D) topological insulators (TIs) have been discovered, all of them based on a tetragonal lattice. However, in 2D crystals, the hexagonal rather than the tetragonal symmetry is the most common motif. Here, based on first principles calculations, we propose a class of stable 2D TMDCs of composition MX2(M =Mo ,W ;X =S ,Se ,Te ) with a hexagonal lattice. They are all in the same stability range as other 2D TMDC allotropes that have been demonstrated experimentally, and they are identified to be practical 2D TIs with large band gaps ranging from 41 to 198 meV, making them suitable for applications at room temperature. Besides, in contrast to tetragonal 2D TMDCs, their hexagonal lattice will greatly facilitate the integration of theses novel TI state van der Waals crystals with other hexagonal or honeycomb materials and thus provide a route for 2D material-based devices for wider nanoelectronic and spintronic applications. The nontrivial band gaps of both WS e2 and WT e2 2D crystals are 198 meV, which are larger than that in any previously reported TMDC-based TIs. These large band gaps entirely stem from the strong spin orbit coupling strength within the d orbitals of Mo/W atoms near the Fermi level. Our findings broaden the scientific and technological impact of both 2D TIs and TMDCs.

  8. Study on hexagonal super-lattice pattern with surface discharges in dielectric barrier discharge

    SciTech Connect

    Liu, Ying; Dong, Lifang Niu, Xuejiao; Gao, Yenan; Zhang, Chao

    2015-10-15

    The hexagonal super-lattice pattern with surface discharges (SDs) in dielectric barrier discharge is investigated by intensified charge-coupled device. The pattern is composed of the bright spot and the dim spot which is located at the centroid of surrounding other three bright spots. The phase diagram of the pattern as a function of the gas pressure and the argon concentration is given. The instantaneous images indicate that the bright spot emerging at the front of the current pulse is formed by the volume discharge (VD), and dim spot occurring at the tail of the current pulse is formed by the SD. The above result shows that the SD is induced by the VD. The simulation of the electric fields of wall charges accumulated by VDs confirms that the dim spot is formed by the confluences of the SDs of surrounding other three bright spots. By using optical emission spectrum method, both the molecule vibration temperature and electron density of the SD are larger than that of the VD.

  9. An exact solution for the steady state phase distribution in an array of oscillators coupled on a hexagonal lattice

    NASA Technical Reports Server (NTRS)

    Pogorzelski, Ronald J.

    2004-01-01

    When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.

  10. Discrete Sommerfeld diffraction problems on hexagonal lattice with a zigzag semi-infinite crack and rigid constraint

    NASA Astrophysics Data System (ADS)

    Sharma, Basant Lal

    2015-12-01

    Diffraction problems, associated with waves scattered by a semi-infinite crack and rigid constraint, in a hexagonal (honeycomb) lattice model, with nearest neighbor interactions, are solved exactly using the method of Wiener and Hopf. Asymptotic expressions for the scattered waves in far field are provided for both problems, by application of the method of stationary phase to corresponding diffraction integrals. Additionally, for the crack diffraction problem, bond lengths on the semi-infinite row complementing the crack, as well as the crack opening displacement, are provided in closed form except for the presence of concomitant Fourier coefficients of the Wiener-Hopf kernel. For the rigid constraint diffraction problem, the solution on the semi-infinite row complementing the constrained lattice sites, as well as that adjacent to the constrained row, are provided in similar closed form. The amplitude, as well as phase, of waves in far field is compared, through graphical plots, with that of a numerical solution on finite grid. Also, the analytical solution for few sites near the tip of each defect is compared with numerical solution. Both discrete Sommerfeld diffraction problems and their solutions are also relevant to numerical solution of the two-dimensional Helmholtz equation using a 4-point hexagonal grid, besides having applications inherent to the scattering of waves on a honeycomb structure.

  11. GAUGE3. Two-Dimensional Neutron Diffusion-Depletion for Hexagonal Lattice

    SciTech Connect

    Koch, P.; Shirley, G.

    1993-09-01

    GAUGE3 is a two-dimensional few-group neutron diffusion-depletion program with a uniform triangular spatial mesh for calculations involving reactors with hexagonal core configurations. GAUGE3 calculates the effective multiplication factor and the spatial distribution of the neutron flux and power.

  12. Lattice dynamics, electronic structure, and optical properties of LiBeSb: A hexagonal ABC-type hyperferroelectrics

    NASA Astrophysics Data System (ADS)

    Dai, Jian-Qing; Zhu, Jian-Hui; Xu, Jie-Wang

    2016-07-01

    The recently discovered hexagonal ABC-type hyperferroelectrics, in which the polarization persists in the presence of the depolarization filed, exhibit a variety of intriguing and potentially useful properties [Garrity et al., Phys. Rev. Lett. 112, 127601 (2014)]. For the existing prototype of LiBeSb, we present detailed first-principles calculations concerning the lattice dynamics, electronic structure, and optical properties. An unstable longitudinal optic mode in the high-symmetry structure and a large polarization of 0.5 C/m2 in the polar phase are reported, including the remarkable dependence of Born effective charges on structural distortion. Using the HSE06 hybrid functional, we predict that LiBeSb has a small band-gap of 1.5 eV and shows dominant asymmetric covalent bonding character. Importantly, we find that there are remarkable absorptions in the whole visible spectrum. These features, combined with the enhanced carrier mobility, make LiBeSb as well as the whole family of hexagonal ABC-type hyperferroelectrics as promising candidates for ferroelectric photovoltaic materials with large bulk photovoltaic effect in the visible spectrum.

  13. Ordering of Sphere Forming SISO Tetrablock Terpolymers on a Simple Hexagonal Lattice

    SciTech Connect

    Zhang, Jingwen; Sides, Scott; Bates, Frank S.

    2012-03-15

    Hexagonally ordered spherical and cylindrical morphologies (P{sub 6}/mmm and P{sub 6}/mm space group symmetries) have been identified in bulk poly(styrene-b-isoprene-b-styrene-b-ethylene oxide) (SISO) tetrablock terpolymers. These materials were synthesized by adding up to 32% by volume O blocks to a parent hydroxy-terminated SIS triblock copolymer containing 40% S by volume, and the resulting morphologies were characterized by small-angle X-ray scattering, transmission electron microscopy, differential scanning calorimetry and dynamic mechanical spectroscopy. Disordered, spherical and cylindrical phases were documented with increasing O content, where both ordered states exhibit hexagonal symmetry. Theoretical calculations based on a numerical self-consistent field theory for polymers provide crucial insights into the molecular configurations associated with these morphologies. These results offer a new approach to independently control domain shape and packing in block copolymer melts through manipulation of the magnitude and sequencing of the binary segment-segment interactions ({chi}{sub SI} {<=} {chi}{sub SO} << {chi}{sub IO}), which dictate core segregation and the effective interdomain interactions.

  14. Steam Line Break and Station Blackout Transients for Proliferation Resistant Hexagonal Tight Lattice BWR

    SciTech Connect

    Upendra Rohatgi; Jae Jo; Bub Dong Chung; Hiroshi Takahashi; Downar, T.J.

    2002-07-01

    Safety analyses of a proliferation resistant, economically competitive, high conversion, boiling water reactor (HCBWR) fueled with fissile plutonium and fertile thorium oxide fuel elements, and with passive safety systems are presented here. The HCBWR developed here is characterized by a very tight lattice with a relatively small water volume fraction in the core which therefore operates with a fast reactor neutron spectrum, and a considerably improved neutron economy compared to the current generation of Light Water Reactors. A tight lattice BWR core has very narrow flow channels with a hydraulic diameter less than half of the regular BWR core. The tight lattice core presented a special challenge to core cooling, because of reduced water inventory and high friction in the core. The primary safety concern when reducing the moderator to fuel ratio and when using a tightly packed lattice arrangement is to maintain adequate cooling of the core during both normal operation and accident scenarios. In the preliminary HCBWR design, the core has been placed in a vessel with a large chimney section, and the vessel is connected with an Isolation Cooling System (ICS). The vessel is placed in a containment with a Gravity Driven Cooling System (GDCS) and a Passive Containment Cooling System (PCCS) in a configuration similar to General Electric's (GE) Simplified Boiling Water Reactor (SBWR). The safety systems are similar to the SBWR; the ICS and PCCS are scaled with power. An internal recirculation pump was placed in the downcomer to augment the buoyancy head provided by the chimney. The buoyancy provided by the chimney alone could not generate sufficient recirculation in the vessel since the tight lattice configuration resulted in much larger friction in the core than the SBWR. A modified RELAP5 Code was used to simulate and analyze two of the most limiting events for a tight pitch lattice core: the Station Blackout and the Main Steam Line Break events. The constitutive

  15. STEAM LINE BREAK AND STATION BLACKOUT TRANSIENTS FOR PROLIFERATION RESISTANT HEXAGONAL TIGHT LATTICE BWR.

    SciTech Connect

    ROHATGI,U.S.; JO,J.; CHUNG,B.D.; TAKAHASHI,H.

    2002-06-09

    Safety analyses of a proliferation resistant, economically competitive, high conversion, boiling water reactor (HCBWR) fueled with fissile plutonium and fertile thorium oxide fuel elements, and with passive safety systems are presented here. The HCBWR developed here is characterized by a very tight lattice with a relatively small water volume fraction in the core which therefore operates with a fast reactor neutron spectrum, and a considerably improved neutron economy compared to the current generation of Light Water Reactors. The tight lattice core has a very narrow flow channels with a hydraulic diameter less than half of the regular BWR core and, thus, presents a special challenge to core cooling, because of reduced water inventory and high friction in the core. The primary safety concern when reducing the moderator to fuel ratio and when using a tightly packed lattice arrangement is to maintain adequate cooling of the core during both normal operation and accident scenarios. In the preliminary HCBWR design, the core has been placed in a vessel with a large chimney section, and the vessel is connected with Isolation Condenser System (ICs). The vessel is placed in containment with Gravity Driven Cooling System (GDCS) and Passive Containment Cooling System (PCCS) in a configuration similar to General Electric's Simplified Boiling Water Reactor (SBWR). The safety systems are similar to SBWR; ICs and PCCS are scaled with power. An internal recirculation pump was placed in the downcomer to augment the buoyancy head provided by the chimney, since the buoyancy provided by the chimney alone could not generate sufficient recirculation in the vessel as the tight lattice configuration resulted in much larger friction in the core than the SBWR. The constitutive relationships for RELAP5 were assessed for narrow channels, and as a result the heat transfer package was modified. The modified RELAP5 was used to simulate and analyze two of the most limiting events for a tight

  16. Lattice relaxation at the interface of two-dimensional crystals: graphene and hexagonal boron-nitride.

    PubMed

    Lu, Jiong; Gomes, Lídia C; Nunes, Ricardo W; Castro Neto, A H; Loh, Kian Ping

    2014-09-10

    Heteroepitaxy of two-dimensional (2D) crystals, such as hexagonal boron nitride (BN) on graphene (G), can occur at the edge of an existing heterointerface. Understanding strain relaxation at such 2D laterally fused interface is useful in fabricating heterointerfaces with a high degree of atomic coherency and structural stability. We use in situ scanning tunneling microscopy to study the 2D heteroepitaxy of BN on graphene edges on a Ru(0001) surface with the aim of understanding the propagation of interfacial strain. We found that defect-free, pseudomorphic growth of BN on a graphene edge "substrate" occurs only for a short distance (<1.29 nm) perpendicular to the interface, beyond which misfit zero-dimensional dislocations occur to reduce the elastic strain energy. Boundary states originating from a coherent zigzag-linked G/BN boundary are observed to greatly enhance the local conductivity, thus affording a new avenue to construct one-dimensional transport channels in G/BN hybrid interface.

  17. Evolution of lattice dynamics in ferroelectric hexagonal REInO3 (RE = Ho, Dy, Tb, Gd, Eu, Sm) perovskites

    NASA Astrophysics Data System (ADS)

    Paul, Barnita; Chatterjee, Swastika; Gop, Sumana; Roy, Anushree; Grover, Vinita; Shukla, Rakesh; Tyagi, A. K.

    2016-07-01

    Rare-earth indates emerge as one of the efficient geometric ferroelectric materials, in which the spontaneous polarization can be tuned by varying their crystal structure along the 4f rare-earth series. We report a systematic study of structural changes in hexagonal REInO3 perovskite (RE = Ho3+, Dy3+, Tb3+, Gd3+, Eu3+, Sm3+) and YInO3 of P63 cm space group by powder x-ray diffraction (XRD) and Raman scattering measurements. The crystal structure of these materials could be investigated by the Rietveld refinement of their XRD patterns. We have calculated density of states of phonons using density functional theory and examined the atomic displacements corresponding to observed Raman modes. The evolution of lattice dynamics of REInO3 has been probed by correlating various Raman modes with the structural distortion of the unit cell and the characteristics of the rare-earth ions. We report the appearance of the coupled mode in the phonon spectra. We have estimated spontaneous polarization from the structural distortion in this system and shown that it can be modulated by varying RE3+ ions in REInO3. We also report the appearance of a ferroelectric soft Raman mode, a unique characteristic of these materials.

  18. Removal of Lattice Imperfections that Impact the Optical Quality of Ti:Sapphire using Advanced Magnetorheological Finishing Techniques

    SciTech Connect

    Menapace, J A; Schaffers, K I; Bayramian, A J; Davis, P J; Ebbers, C A; Wolfe, J E; Caird, J A; Barty, C J

    2008-02-26

    Advanced magnetorheological finishing (MRF) techniques have been applied to Ti:sapphire crystals to compensate for sub-millimeter lattice distortions that occur during the crystal growing process. Precise optical corrections are made by imprinting topographical structure onto the crystal surfaces to cancel out the effects of the lattice distortion in the transmitted wavefront. This novel technique significantly improves the optical quality for crystals of this type and sets the stage for increasing the availability of high-quality large-aperture sapphire and Ti:sapphire optics in critical applications.

  19. Removal of Lattice Imperfections that Impact the Optical Quality of Ti:Sapphire using Advanced Magnetorheological Finishing Techniques

    SciTech Connect

    Menapace, J A; Schaffers, K I; Bayramian, A J; Davis, P J; Ebbers, C A; Wolfe, J E; Caird, J A; Barty, C J; Joyce, D B; Schmid, K; Schmid, F

    2007-10-09

    Ti:sapphire has become the premier lasing medium material for use in solid-state femtosecond high-peak power laser systems because of its wide wavelength tuning range. With a tuneable range from 680 to 1100 nm, peaking at 800 nm, Ti:sapphire lasing crystals can easily be tuned to the required pump wavelength and provide very high pump brightness due to their good beam quality and high output power of typically several watts. Femtosecond lasers are used for precision cutting and machining of materials ranging from steel to tooth enamel to delicate heart tissue and high explosives. These ultra-short pulses are too brief to transfer heat or shock to the material being cut, which means that cutting, drilling, and machining occur with virtually no damage to surrounding material. Furthermore, these lasers can cut with high precision, making hairline cuts of less than 100 microns in thick materials along a computer-generated path. Extension of laser output to higher energies is limited by the size of the amplification medium. Yields of high quality large diameter crystals have been constrained by lattice distortions that may appear in the boule limiting the usable area from which high quality optics can be harvested. Lattice distortions affect the transmitted wavefront of these optics which ultimately limits the high-end power output and efficiency of the laser system, particularly when operated in multi-pass mode. To make matters even more complicated, Ti:sapphire is extremely hard (Mohs hardness of 9 with diamond being 10) which makes it extremely difficult to accurately polish using conventional methods without subsurface damage or significant wavefront error. In this presentation, we demonstrate for the first time that Magnetorheological finishing (MRF) can be used to compensate for the lattice distortions in Ti:sapphire by perturbing the transmitted wavefront. The advanced MRF techniques developed allow for precise polishing of the optical inverse of lattice

  20. Phase stability and magnetic behavior of hexagonal phase of N2-O2 system with kagome lattice under high pressure and low temperature

    NASA Astrophysics Data System (ADS)

    Akahama, Y.; Ishihara, D.; Yamashita, H.; Fujihisa, H.; Hirao, N.; Ohishi, Y.

    2016-08-01

    The pressure-temperature (P -T ) phase diagram of N2-O2 mixture with a composition of N2-48 mol % O2 has been investigated using x-ray diffraction and the phase stability of a hexagonal phase (space group: P 6 /mmm), with the kagome lattice examined under high-pressure and low-temperature conditions. While the phase appears as a low-temperature phase of the cubic phase (P m 3 n ) with the structure of γ -O2 or δ -N2 and is stable in a wide range of pressures and temperatures, it transforms to lower symmetry monoclinic or orthorhombic phases at lower temperature, accompanied with a distortion of the kagome lattice. Based on Rietveld refinements, the monoclinic and orthorhombic phases are found to be in the P 21/a and Cmmm space groups, respectively. In magnetization measurements, a magnetic transition is observed with a relatively large drop of magnetization, corresponding to the cubic-to-hexagonal phase transition. This suggests that the hexagonal phase has a certain magnetic ordered state that arises from the molecular magnetic moment of O2.

  1. Persistent current and Drude weight of one-dimensional interacting fermions on imperfect ring from current lattice density functional theory

    NASA Astrophysics Data System (ADS)

    Akande, Akinlolu; Sanvito, Stefano

    2016-11-01

    We perform a numerical study of interacting one-dimensional Hubbard rings with a single impurity potential and pierced by a magnetic flux. Our calculations are carried out at the level of current lattice density functional theory (CLDFT) for the Hubbard model and compared to known results obtained in the thermodynamical limit from the Bethe ansatz. In particular, we investigate the effects of disorder and Coulomb interaction on the persistent current (PC) and the Drude weight. It is found that CLDFT is able to accurately describe qualitative and quantitative features of these ground state properties in the presence of disorder and electronic interaction. When the impurity potential is switched off, the CLDFT approach describes well the velocity of the Luttinger liquid excitations as a function of both interaction strength and electron filling. Then, when the impurity scattering potential is finite, we find the PC to vanish as {{L}-{{α\\text{B}}-1}} for large L and independent on the strength of the scattering potential, in good agreement with Luttinger liquid theory.

  2. Persistent current and Drude weight of one-dimensional interacting fermions on imperfect ring from current lattice density functional theory.

    PubMed

    Akande, Akinlolu; Sanvito, Stefano

    2016-11-01

    We perform a numerical study of interacting one-dimensional Hubbard rings with a single impurity potential and pierced by a magnetic flux. Our calculations are carried out at the level of current lattice density functional theory (CLDFT) for the Hubbard model and compared to known results obtained in the thermodynamical limit from the Bethe ansatz. In particular, we investigate the effects of disorder and Coulomb interaction on the persistent current (PC) and the Drude weight. It is found that CLDFT is able to accurately describe qualitative and quantitative features of these ground state properties in the presence of disorder and electronic interaction. When the impurity potential is switched off, the CLDFT approach describes well the velocity of the Luttinger liquid excitations as a function of both interaction strength and electron filling. Then, when the impurity scattering potential is finite, we find the PC to vanish as [Formula: see text] for large L and independent on the strength of the scattering potential, in good agreement with Luttinger liquid theory. PMID:27605413

  3. Graphene as a hexagonal 2-lattice: Evaluation of the in-plane material constants for the linear theory. A multiscale approach

    SciTech Connect

    Sfyris, D. E-mail: dsfyris@sfyris.net; Koukaras, E. N.; Pugno, N.; Galiotis, C.

    2015-08-21

    Continuum modeling of free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specification of the components of the shift vector that acts as an auxiliary variable. If only in-plane motions are considered, the energy depends on an in-plane strain measure and the shift vector. The assumption of geometrical and material linearity leads to quadratic energy terms with respect to the shift vector, the strain tensor, and their combinations. Graphene's hexagonal symmetry reduces the number of independent moduli then to four. We evaluate these four material parameters using molecular calculations and the adaptive intermolecular reactive empirical bond order potential and compare them with standard linear elastic constitutive modeling. The results of our calculations show that the predicted values are in reasonable agreement with those obtained solely from our molecular calculations as well as those from the literature. To the best of our knowledge, this is the first attempt to measure mechanical properties when graphene is modeled as a hexagonal 2-lattice. This work targets at the continuum scale when the insight measurements come from finer scales using atomistic simulations.

  4. A theoretical study of rotational and translational diffusion dynamics of molecules with a six-fold point symmetry adsorbed on a hexagonal lattice by neutron scattering.

    PubMed

    Calvo-Almazán; Miret-Artés; Fouquet

    2012-03-14

    A complete analytical model for the rotational and translational diffusion of molecules with a six-fold point symmetry on a hexagonal lattice is presented. It can be applied, in particular, to the diffusion of benzene molecules adsorbed flat on the basal plane of graphite in the case of incoherent scattering. Under the weak hindered approximation, the classical mechanics framework and making use of the van Hove formalism of correlation functions, the intermediate scattering function and its Fourier transform, the scattering law, are both obtained. They can be expressed as sums of exponential decays or Lorentzian functions, respectively, containing the contribution of each of the dynamical processes taking place. In the case of benzene lying flat on the substrate we expect translational diffusion, continuous rotations of isolated molecules and hindered rotations of molecules within clusters. Each particular diffusive mechanism can be recognized owing to its particular signature in the dependence of the quasi-elastic broadening on the momentum transfer.

  5. Steam Line Break and Station Blackout Transients for Proliferation-Resistant Hexagonal Tight Lattice Boiling Water Reactor

    SciTech Connect

    Rohatgi, Upendra S.; Jo, Jae H.; Chung, Bub Dong; Takahashi, Hiroshi; Downar, Thomas J.

    2004-01-15

    Safety analyses of a proliferation-resistant, economically competitive, high-conversion boiling water reactor (HCBWR) fueled with fissile plutonium and fertile thorium oxide fuel elements, and with passive safety systems, are presented here. The HCBWR developed here is characterized by a very tight lattice with a relatively small water volume fraction in the core that therefore operates with a fast reactor neutron spectrum and a considerably improved neutron economy compared to the current generation of light water reactors. The tight lattice core has a very narrow flow channel with a hydraulic diameter less than half of the regular boiling water reactor (BWR) core and, thus, presents a special challenge to core cooling because of reduced water inventory and high friction in the core. The primary safety concern when reducing the moderator-to-fuel ratio and when using a tightly packed lattice arrangement is to maintain adequate cooling of the core during both normal operation and accident scenarios.In the preliminary HCBWR design, the core is placed in a vessel with a large chimney section, and the vessel is connected to the isolation condenser system (ICS). The vessel is placed in containment with the gravity driven cooling system (GDCS) and passive containment cooling system (PCCS) in a configuration similar to General Electric's simplified BWR (SBWR). The safety systems are similar to those of the SBWR; the ICS and PCCS are scaled with power. An internal recirculation pump is placed in the downcomer to augment the buoyancy head provided by the chimney since the buoyancy provided by the chimney alone could not generate sufficient recirculation in the vessel as the tight lattice configuration results in much larger friction in the core than with the SBWR.The constitutive relationships for RELAP5 are assessed for narrow channels, and as a result the heat transfer package is modified. The modified RELAP5 is used to simulate and analyze two of the most limiting events

  6. [Study on Hexagonal Super-Lattice Pattern with Light Spot and Dim Spot in Dielectric Barrier Discharge by Optical Emission Spectra].

    PubMed

    Liu, Ying; Dong, Li-fang; Niu, Xue-jiao; Zhang, Chao

    2016-02-01

    The hexagonal super-lattice pattern composed of the light spot and the dim spot is firstly observed and investigated in the discharge of gas mixture of air and argon by using the dielectric barrier discharge device with double water electrodes. It is found that the dim spot is located at the center of its surrounding three light spots by observing the discharge image. Obviously, the brightness of the light spot and the dim spot are different, which indicates that the plasma states of the light spot and the dim spot may be different. The optical emission spectrum method is used to further study the several plasma parameters of the light spot and the dim spot in different argon content. The emission spectra of the N₂ second positive band (C³IIu --> B³IIg) are measured, from which the molecule vibration temperatures of the light spot and the dim spot are calculated. Based on the relative intensity ratio of the line at 391.4 nm and the N₂ line at 394.1 nm, the average electron energies of the light spot and the dim spot are investigated. The broadening of spectral line 696.57 nm (2P₂-1S₅) is used to study the electron densities of the light spot and the dim spot. The experiment shows that the molecule vibration temperature, average electron energy and the electron density of the dim spot are higher than those of the light spot in the same argon content. The molecule vibration temperature and electron density of the light spot and dim spot increase with the argon content increasing from 70% to 95%, while average electron energies of the light spot and dim spot decrease gradually. The short-exposure image recorded by a high speed video camera shows that the dim spot results from the surface discharges (SDs). The surface discharge induced by the volume discharge (VD) has the decisive effect on the formation of the dim spot. The experiment above plays an important role in studying the formation mechanism of the hexagonal super-lattice pattern with light spot and

  7. Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems

    PubMed Central

    Björkman, Torbjörn; Kurasch, Simon; Lehtinen, Ossi; Kotakoski, Jani; Yazyev, Oleg V.; Srivastava, Anchal; Skakalova, Viera; Smet, Jurgen H.; Kaiser, Ute; Krasheninnikov, Arkady V.

    2013-01-01

    By combining first-principles and classical force field calculations with aberration-corrected high-resolution transmission electron microscopy experiments, we study the morphology and energetics of point and extended defects in hexagonal bilayer silica and make comparison to graphene, another two-dimensional (2D) system with hexagonal symmetry. We show that the motifs of isolated point defects in these 2D structures with otherwise very different properties are similar, and include Stone-Wales-type defects formed by structural unit rotations, flower defects and reconstructed double vacancies. The morphology and energetics of extended defects, such as grain boundaries have much in common as well. As both sp2-hybridised carbon and bilayer silica can also form amorphous structures, our results indicate that the morphology of imperfect 2D honeycomb lattices is largely governed by the underlying symmetry of the lattice. PMID:24336488

  8. Evolution of lattice dynamics in ferroelectric hexagonal REInO3 (RE = Ho, Dy, Tb, Gd, Eu, Sm) perovskites

    NASA Astrophysics Data System (ADS)

    Paul, Barnita; Chatterjee, Swastika; Gop, Sumana; Roy, Anushree; Grover, Vinita; Shukla, Rakesh; Tyagi, A. K.

    2016-07-01

    Rare-earth indates emerge as one of the efficient geometric ferroelectric materials, in which the spontaneous polarization can be tuned by varying their crystal structure along the 4f rare-earth series. We report a systematic study of structural changes in hexagonal REInO3 perovskite (RE = Ho3+, Dy3+, Tb3+, Gd3+, Eu3+, Sm3+) and YInO3 of P63 cm space group by powder x-ray diffraction (XRD) and Raman scattering measurements. The crystal structure of these materials could be investigated by the Rietveld refinement of their XRD patterns. We have calculated density of states of phonons using density functional theory and examined the atomic displacements corresponding to observed Raman modes. The evolution of lattice dynamics of REInO3 has been probed by correlating various Raman modes with the structural distortion of the unit cell and the characteristics of the rare-earth ions. We report the appearance of the coupled mode in the phonon spectra. We have estimated spontaneous polarization from the structural distortion in this system and shown that it can be modulated by varying RE3+ ions in REInO3. We also report the appearance of a ferroelectric soft Raman mode, a unique characteristic of these materials.

  9. Irregularities in Imperfective Derivation

    ERIC Educational Resources Information Center

    Levin, Maurice I.

    1977-01-01

    This article discusses presentation of Russian conjugation via the one-stem system advocated by Lipson and Townsend, and attempts a more unified and complete presentation of irregularities in imperfect derivation. Two major irregularities are occurrence of an unexpected suffix and unpredictable alternation in the root of the derived imperfective.…

  10. Hexagonal-diamond-like gold lattices, Ba and (Au,T)3 interstitials, and delocalized bonding in a family of intermetallic phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn).

    PubMed

    Lin, Qisheng; Mishra, Trinath; Corbett, John D

    2013-07-31

    Au-rich polar intermetallics exhibit a wide variety of structural motifs, and this hexagonal-diamond-like gold host is unprecedented. The series Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn), synthesized through fusion of the elements at 700-800 °C followed by annealing at 400-500 °C, occur in space group R3[overline]c (a ≈ 8.6-8.9 Å, c ≈ 21.9-22.6 Å, and Z = 6). Their remarkable structure, generated by just three independent atoms, features a hexagonal-diamond-like gold superstructure in which tunnels along the 3-fold axes are systematically filled by interstitial Ba atoms (blue) and triangles of disordered (Au,T)3 atoms (green) in 2:1 proportions. The Au/Zn mixing in the latter spans ~34 to 87% Zn, whereas the Au/Sn result is virtually invariant compositionally. Complementary bonding between the gold lattice and the disordered (Au,T)3 units is substantial and very regular. Bonding and charge density analyses indicate delocalized bonding within the gold host and the (Au,T)3 triangular units, and moderately polarized bonding between Ba and the electronegative framework. The new structure can also be viewed empirically as the result of an atom-by-triad [i.e., Ba by (Au,T)3 triangle] topological substitution in a BaAu2 (AlB2-type) superstructure.

  11. Imperfection Insensitive Thin Shells

    NASA Astrophysics Data System (ADS)

    Ning, Xin

    The buckling of axially compressed cylindrical shells and externally pressurized spherical shells is extremely sensitive to even very small geometric imperfections. In practice this issue is addressed by either using overly conservative knockdown factors, while keeping perfect axial or spherical symmetry, or adding closely and equally spaced stiffeners on shell surface. The influence of imperfection-sensitivity is mitigated, but the shells designed from these approaches are either too heavy or very expensive and are still sensitive to imperfections. Despite their drawbacks, these approaches have been used for more than half a century. This thesis proposes a novel method to design imperfection-insensitive cylindrical shells subject to axial compression. Instead of following the classical paths, focused on axially symmetric or high-order rotationally symmetric cross-sections, the method in this thesis adopts optimal symmetry-breaking wavy cross-sections (wavy shells). The avoidance of imperfection sensitivity is achieved by searching with an evolutionary algorithm for smooth cross-sectional shapes that maximize the minimum among the buckling loads of geometrically perfect and imperfect wavy shells. It is found that the shells designed through this approach can achieve higher critical stresses and knockdown factors than any previously known monocoque cylindrical shells. It is also found that these shells have superior mass efficiency to almost all previously reported stiffened shells. Experimental studies on a design of composite wavy shell obtained through the proposed method are presented in this thesis. A method of making composite wavy shells and a photogrametry technique of measuring full-field geometric imperfections have been developed. Numerical predictions based on the measured geometric imperfections match remarkably well with the experiments. Experimental results confirm that the wavy shells are not sensitive to imperfections and can carry axial compression

  12. Hexagonal projected symmetries.

    PubMed

    Oliveira, Juliane F; Castro, Sofia B S D; Labouriau, Isabel S

    2015-09-01

    In the study of pattern formation in symmetric physical systems, a three-dimensional structure in thin domains is often modelled as a two-dimensional one. This paper is concerned with functions in {\\bb R}^{3} that are invariant under the action of a crystallographic group and the symmetries of their projections into a function defined on a plane. A list is obtained of the crystallographic groups for which the projected functions have a hexagonal lattice of periods. The proof is constructive and the result may be used in the study of observed patterns in thin domains, whose symmetries are not expected in two-dimensional models, like the black-eye pattern. PMID:26317198

  13. An orthogonal oriented quadrature hexagonal image pyramid

    NASA Technical Reports Server (NTRS)

    Watson, Andrew B.; Ahumada, Albert J., Jr.

    1987-01-01

    An image pyramid has been developed with basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The pyramid operates on a hexagonal sample lattice. The set of seven basis functions consist of three even high-pass kernels, three odd high-pass kernels, and one low-pass kernel. The three even kernels are identified when rotated by 60 or 120 deg, and likewise for the odd. The seven basis functions occupy a point and a hexagon of six nearest neighbors on a hexagonal sample lattice. At the lowest level of the pyramid, the input lattice is the image sample lattice. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing sq rt 7 larger than the previous level, so that the number of coefficients is reduced by a factor of 7 at each level. The relationship between this image code and the processing architecture of the primate visual cortex is discussed.

  14. Learning with imperfectly labeled patterns

    NASA Technical Reports Server (NTRS)

    Chittineni, C. B.

    1979-01-01

    The problem of learning in pattern recognition using imperfectly labeled patterns is considered. The performance of the Bayes and nearest neighbor classifiers with imperfect labels is discussed using a probabilistic model for the mislabeling of the training patterns. Schemes for training the classifier using both parametric and non parametric techniques are presented. Methods for the correction of imperfect labels were developed. To gain an understanding of the learning process, expressions are derived for success probability as a function of training time for a one dimensional increment error correction classifier with imperfect labels. Feature selection with imperfectly labeled patterns is described.

  15. Imperfect Dark Matter

    SciTech Connect

    Mirzagholi, Leila; Vikman, Alexander E-mail: alexander.vikman@lmu.de

    2015-06-01

    We consider cosmology of the recently introduced mimetic matter with higher derivatives (HD). Without HD this system describes irrotational dust—Dark Matter (DM) as we see it on cosmologically large scales. DM particles correspond to the shift-charges—Noether charges of the shifts in the field space. Higher derivative corrections usually describe a deviation from the thermodynamical equilibrium in the relativistic hydrodynamics. Thus we show that mimetic matter with HD corresponds to an imperfect DM which: i) renormalises the Newton's constant in the Friedmann equations, ii) has zero pressure when there is no extra matter in the universe, iii) survives the inflationary expansion which puts the system on a dynamical attractor with a vanishing shift-charge, iv) perfectly tracks any external matter on this attractor, v) can become the main (and possibly the only) source of DM, provided the shift-symmetry in the HD terms is broken during some small time interval in the radiation domination époque. In the second part of the paper we present a hydrodynamical description of general anisotropic and inhomogeneous configurations of the system. This imperfect mimetic fluid has an energy flow in the field's rest frame. We find that in the Eckart and in the Landau-Lifshitz frames the mimetic fluid possesses nonvanishing vorticity appearing already at the first order in the HD. Thus, the structure formation and gravitational collapse should proceed in a rather different fashion from the simple irrotational DM models.

  16. Hexagons of the Heart

    ERIC Educational Resources Information Center

    Burkhauser, Beth; Porter, Dave

    2010-01-01

    This article discusses the international interdependence Hexagon Project for Haiti which invites students, ages five through eighteen, to create an image within a hexagonal template and respond to big questions surrounding a global culture of interdependence. The hexagon is a visual metaphor for interdependence, with its potential to infinitely…

  17. Insertion of lattice strains into ordered LiNi0.5Mn1.5O4 spinel by mechanical stress: A comparison of perfect versus imperfect structures as a cathode for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Kozawa, Takahiro; Murakami, Takeshi; Naito, Makio

    2016-07-01

    The Ni-doped lithium manganese oxide, LiNi0.5Mn1.5O4, has received much attention as a cathode active material in high-energy lithium-ion batteries (LIBs). This active material has two different spinel structures depending on the ordering state of the Ni and Mn ions. The ordered LiNi0.5Mn1.5O4 spinel has an inferior cathode performance than the disordered phase because of its poor electronic conductivity. However, the ordered LiNi0.5Mn1.5O4 spinel possesses the potential advantage of avoiding dissolution of the Mn ion, which is an issue for the disordered spinel. The improvement of cathode performance is important for future applications. Here, we report a unique approach to improve the cathode performance of the ordered LiNi0.5Mn1.5O4 spinel. The mechanical treatment using an attrition-type mill successfully inserted lattice strains into the ordered LiNi0.5Mn1.5O4 spinel structure without a phase transformation to the disordered phase. The insertion of lattice strains by mechanical stresses provided an increased discharge capacity and a decreased charge transfer resistance. This limited crystal structure modification improved the cathode performance. The present work has the potential for application of the mechanically treated ordered LiNi0.5Mn1.5O4 spinel as a cathode for high-energy LIBs.

  18. Competing structures in two dimensions: Square-to-hexagonal transition

    NASA Astrophysics Data System (ADS)

    Gränz, Barbara; Korshunov, Sergey E.; Geshkenbein, Vadim B.; Blatter, Gianni

    2016-08-01

    We study a system of particles in two dimensions interacting via a dipolar long-range potential D /r3 and subject to a square-lattice substrate potential V (r ) with amplitude V and lattice constant b . The isotropic interaction favors a hexagonal arrangement of the particles with lattice constant a , which competes against the square symmetry of the underlying substrate lattice. We determine the minimal-energy states at fixed external pressure p generating the commensurate density n =1 /b2=(4/3 ) 1 /2/a2 in the absence of thermal and quantum fluctuations, using both analytical techniques based on the harmonic and continuum elastic approximations as well as numerical relaxation of particle configurations. At large substrate amplitude V >0.2 eD, with eD=D /b3 the dipolar energy scale, the particles reside in the substrate minima and hence arrange in a square lattice. Upon decreasing V , the square lattice turns unstable with respect to a zone-boundary shear mode and deforms into a period-doubled zigzag lattice. Analytic and numerical results show that this period-doubled phase in turn becomes unstable at V ≈0.074 eD towards a nonuniform phase developing an array of domain walls or solitons; as the density of solitons increases, the particle arrangement approaches that of a rhombic (or isosceles triangular) lattice. At a yet smaller substrate value estimated as V ≈0.046 eD, a further solitonic transition establishes a second nonuniform phase which smoothly approaches the hexagonal (or equilateral triangular) lattice phase with vanishing amplitude V . At small but finite amplitude V , the hexagonal phase is distorted and hexatically locked at an angle of φ ≈3 .8∘ with respect to the substrate lattice. The square-to-hexagonal transformation in this two-dimensional commensurate-incommensurate system thus involves a complex pathway with various nontrivial lattice- and modulated phases.

  19. Equivalent Imperfections In Arched Structures

    NASA Astrophysics Data System (ADS)

    Dallemule, Marian

    2015-09-01

    There are currently three design methods to verify the in-plane buckling of an arched structure: substitute member method, the method of equivalent imperfection with recommendations for arched bridges, and the equivalent unique global and local initial imperfection method (EUGLI), which uses the critical elastic buckling mode as an imperfection. The latter method is included in the EN 1993-1-1 cl. 5.3.2 (11) since 2002; however, to this day it is neither utilized in the design practice nor is it incorporated in ordinary structural analysis software. The main purpose of this article is to show the application of the proposed methods in a step-by-step manner to the numerical example considered and to compare these design methods for various arched structures. Verification of the in-plane buckling of an arch is explained in detail.

  20. Hexagon solar power panel

    DOEpatents

    Rubin, Irwin

    1978-01-01

    A solar energy panel comprises a support upon which silicon cells are arrayed. The cells are wafer thin and of two geometrical types, both of the same area and electrical rating, namely hexagon cells and hourglass cells. The hourglass cells are composites of half hexagons. A near perfect nesting relationship of the cells achieves a high density packing whereby optimum energy production per panel area is achieved.

  1. Modal analysis of kagome-lattice structures

    NASA Astrophysics Data System (ADS)

    Perez, H.; Blakley, S.; Zheltikov, A. M.

    2015-05-01

    The first few lowest order circularly symmetric electromagnetic eigenmodes of a full kagome lattice are compared to those of a kagome lattice with a hexagonal defect. This analysis offers important insights into the physics behind the waveguiding properties of hollow-core fibers with a kagome-lattice cladding.

  2. Macromolecular diffractive imaging using imperfect crystals

    PubMed Central

    Ayyer, Kartik; Yefanov, Oleksandr; Oberthür, Dominik; Roy-Chowdhury, Shatabdi; Galli, Lorenzo; Mariani, Valerio; Basu, Shibom; Coe, Jesse; Conrad, Chelsie E.; Fromme, Raimund; Schaffer, Alexander; Dörner, Katerina; James, Daniel; Kupitz, Christopher; Metz, Markus; Nelson, Garrett; Lourdu Xavier, Paulraj; Beyerlein, Kenneth R.; Schmidt, Marius; Sarrou, Iosifina; Spence, John C. H.; Weierstall, Uwe; White, Thomas A.; Yang, Jay-How; Zhao, Yun; Liang, Mengning; Aquila, Andrew; Hunter, Mark S.; Robinson, Joseph S.; Koglin, Jason E.; Boutet, Sébastien; Fromme, Petra; Barty, Anton; Chapman, Henry N.

    2016-01-01

    The three-dimensional structures of macromolecules and their complexes are predominantly elucidated by X-ray protein crystallography. A major limitation is access to high-quality crystals, to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields sufficiently high-resolution information that the crystal structure can be solved. The observation that crystals with shrunken unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks1,2 hints that crystallographic resolution for some macromolecules may be limited not by their heterogeneity but rather by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern, equal to the incoherent sum of diffraction from rigid single molecular complexes aligned along several discrete crystallographic orientations and hence with an increased information content3. Although such continuous diffraction patterns have long been observed—and are of interest as a source of information about the dynamics of proteins4 —they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5 Å limit of measurable Bragg peaks, which allows us to directly phase5 the pattern. With the molecular envelope conventionally determined at 4.5 Å as a constraint, we then obtain a static image of the photosystem II dimer at 3.5 Å resolution. This result shows that continuous diffraction can be used to overcome long-supposed resolution limits of macromolecular crystallography, with a method that puts great value in commonly encountered imperfect crystals and opens up the possibility for model-free phasing6,7. PMID:26863980

  3. Macromolecular diffractive imaging using imperfect crystals.

    PubMed

    Ayyer, Kartik; Yefanov, Oleksandr M; Oberthür, Dominik; Roy-Chowdhury, Shatabdi; Galli, Lorenzo; Mariani, Valerio; Basu, Shibom; Coe, Jesse; Conrad, Chelsie E; Fromme, Raimund; Schaffer, Alexander; Dörner, Katerina; James, Daniel; Kupitz, Christopher; Metz, Markus; Nelson, Garrett; Xavier, Paulraj Lourdu; Beyerlein, Kenneth R; Schmidt, Marius; Sarrou, Iosifina; Spence, John C H; Weierstall, Uwe; White, Thomas A; Yang, Jay-How; Zhao, Yun; Liang, Mengning; Aquila, Andrew; Hunter, Mark S; Robinson, Joseph S; Koglin, Jason E; Boutet, Sébastien; Fromme, Petra; Barty, Anton; Chapman, Henry N

    2016-02-11

    The three-dimensional structures of macromolecules and their complexes are mainly elucidated by X-ray protein crystallography. A major limitation of this method is access to high-quality crystals, which is necessary to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields information of sufficiently high resolution with which to solve the crystal structure. The observation that crystals with reduced unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks suggests that crystallographic resolution for some macromolecules may be limited not by their heterogeneity, but by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern that is equal to the incoherent sum of diffraction from rigid individual molecular complexes aligned along several discrete crystallographic orientations and that, consequently, contains more information than Bragg peaks alone. Although such continuous diffraction patterns have long been observed--and are of interest as a source of information about the dynamics of proteins--they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5-ångström limit of measurable Bragg peaks, which allows us to phase the pattern directly. Using the molecular envelope conventionally determined at 4.5 ångströms as a constraint, we obtain a static image of the photosystem II dimer at a resolution of 3.5 ångströms. This result shows that continuous diffraction can be used to overcome what have long been supposed to be the resolution limits of macromolecular crystallography, using a method that exploits commonly encountered imperfect crystals and enables model-free phasing.

  4. Macromolecular diffractive imaging using imperfect crystals

    NASA Astrophysics Data System (ADS)

    Ayyer, Kartik; Yefanov, Oleksandr M.; Oberthür, Dominik; Roy-Chowdhury, Shatabdi; Galli, Lorenzo; Mariani, Valerio; Basu, Shibom; Coe, Jesse; Conrad, Chelsie E.; Fromme, Raimund; Schaffer, Alexander; Dörner, Katerina; James, Daniel; Kupitz, Christopher; Metz, Markus; Nelson, Garrett; Xavier, Paulraj Lourdu; Beyerlein, Kenneth R.; Schmidt, Marius; Sarrou, Iosifina; Spence, John C. H.; Weierstall, Uwe; White, Thomas A.; Yang, Jay-How; Zhao, Yun; Liang, Mengning; Aquila, Andrew; Hunter, Mark S.; Robinson, Joseph S.; Koglin, Jason E.; Boutet, Sébastien; Fromme, Petra; Barty, Anton; Chapman, Henry N.

    2016-02-01

    The three-dimensional structures of macromolecules and their complexes are mainly elucidated by X-ray protein crystallography. A major limitation of this method is access to high-quality crystals, which is necessary to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields information of sufficiently high resolution with which to solve the crystal structure. The observation that crystals with reduced unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks suggests that crystallographic resolution for some macromolecules may be limited not by their heterogeneity, but by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern that is equal to the incoherent sum of diffraction from rigid individual molecular complexes aligned along several discrete crystallographic orientations and that, consequently, contains more information than Bragg peaks alone. Although such continuous diffraction patterns have long been observed—and are of interest as a source of information about the dynamics of proteins—they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5-ångström limit of measurable Bragg peaks, which allows us to phase the pattern directly. Using the molecular envelope conventionally determined at 4.5 ångströms as a constraint, we obtain a static image of the photosystem II dimer at a resolution of 3.5 ångströms. This result shows that continuous diffraction can be used to overcome what have long been supposed to be the resolution limits of macromolecular crystallography, using a method that exploits commonly encountered imperfect crystals and enables model-free phasing.

  5. Macromolecular diffractive imaging using imperfect crystals.

    PubMed

    Ayyer, Kartik; Yefanov, Oleksandr M; Oberthür, Dominik; Roy-Chowdhury, Shatabdi; Galli, Lorenzo; Mariani, Valerio; Basu, Shibom; Coe, Jesse; Conrad, Chelsie E; Fromme, Raimund; Schaffer, Alexander; Dörner, Katerina; James, Daniel; Kupitz, Christopher; Metz, Markus; Nelson, Garrett; Xavier, Paulraj Lourdu; Beyerlein, Kenneth R; Schmidt, Marius; Sarrou, Iosifina; Spence, John C H; Weierstall, Uwe; White, Thomas A; Yang, Jay-How; Zhao, Yun; Liang, Mengning; Aquila, Andrew; Hunter, Mark S; Robinson, Joseph S; Koglin, Jason E; Boutet, Sébastien; Fromme, Petra; Barty, Anton; Chapman, Henry N

    2016-02-11

    The three-dimensional structures of macromolecules and their complexes are mainly elucidated by X-ray protein crystallography. A major limitation of this method is access to high-quality crystals, which is necessary to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields information of sufficiently high resolution with which to solve the crystal structure. The observation that crystals with reduced unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks suggests that crystallographic resolution for some macromolecules may be limited not by their heterogeneity, but by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern that is equal to the incoherent sum of diffraction from rigid individual molecular complexes aligned along several discrete crystallographic orientations and that, consequently, contains more information than Bragg peaks alone. Although such continuous diffraction patterns have long been observed--and are of interest as a source of information about the dynamics of proteins--they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5-ångström limit of measurable Bragg peaks, which allows us to phase the pattern directly. Using the molecular envelope conventionally determined at 4.5 ångströms as a constraint, we obtain a static image of the photosystem II dimer at a resolution of 3.5 ångströms. This result shows that continuous diffraction can be used to overcome what have long been supposed to be the resolution limits of macromolecular crystallography, using a method that exploits commonly encountered imperfect crystals and enables model-free phasing. PMID

  6. Why Hexagonal Basalt Columns?

    PubMed

    Hofmann, Martin; Anderssohn, Robert; Bahr, Hans-Achim; Weiß, Hans-Jürgen; Nellesen, Jens

    2015-10-01

    Basalt columns with their preferably hexagonal cross sections are a fascinating example of pattern formation by crack propagation. Junctions of three propagating crack faces rearrange such that the initial right angles between them tend to approach 120°, which enables the cracks to form a pattern of regular hexagons. To promote understanding of the path on which the ideal configuration can be reached, two periodically repeatable models are presented here involving linear elastic fracture mechanics and applying the principle of maximum energy release rate. They describe the evolution of the crack pattern as a transition from rectangular start configuration to the hexagonal pattern. This is done analytically and by means of three-dimensional finite element simulation. The latter technique reproduces the curved crack path involved in this transition.

  7. Why Hexagonal Basalt Columns?

    PubMed

    Hofmann, Martin; Anderssohn, Robert; Bahr, Hans-Achim; Weiß, Hans-Jürgen; Nellesen, Jens

    2015-10-01

    Basalt columns with their preferably hexagonal cross sections are a fascinating example of pattern formation by crack propagation. Junctions of three propagating crack faces rearrange such that the initial right angles between them tend to approach 120°, which enables the cracks to form a pattern of regular hexagons. To promote understanding of the path on which the ideal configuration can be reached, two periodically repeatable models are presented here involving linear elastic fracture mechanics and applying the principle of maximum energy release rate. They describe the evolution of the crack pattern as a transition from rectangular start configuration to the hexagonal pattern. This is done analytically and by means of three-dimensional finite element simulation. The latter technique reproduces the curved crack path involved in this transition. PMID:26550724

  8. 2D hexagonal quaternion Fourier transform in color image processing

    NASA Astrophysics Data System (ADS)

    Grigoryan, Artyom M.; Agaian, Sos S.

    2016-05-01

    In this paper, we present a novel concept of the quaternion discrete Fourier transform on the two-dimensional hexagonal lattice, which we call the two-dimensional hexagonal quaternion discrete Fourier transform (2-D HQDFT). The concept of the right-side 2D HQDFT is described and the left-side 2-D HQDFT is similarly considered. To calculate the transform, the image on the hexagonal lattice is described in the tensor representation when the image is presented by a set of 1-D signals, or splitting-signals which can be separately processed in the frequency domain. The 2-D HQDFT can be calculated by a set of 1-D quaternion discrete Fourier transforms (QDFT) of the splitting-signals.

  9. Giant Hexagonal Superstructures in Diblock-Copolymer Membranes

    NASA Astrophysics Data System (ADS)

    Haluska, Christopher K.; Góźdź, Wojciech T.; Döbereiner, Hans-Günther; Förster, Stephan; Gompper, Gerhard

    2002-11-01

    We have observed polymersomes of high genus with their vesicle wall organized on the micrometer scale either in a double bilayer connected by a lattice of passages or a tubular network with hexagonal symmetry. Experimentally found shape classes are identified within a theoretical phase diagram based on the bending energy of the polymer membrane. Pronounced morphological changes could be induced and controlled by temperature.

  10. Hexagonal quartz resonator

    DOEpatents

    Peters, Roswell D. M.

    1982-01-01

    A generally flat, relatively thin AT-cut piezoelectric resonator element structured to minimize the force-frequency effect when mounted and energized in a housing. The resonator is in the form of an equilateral hexagon with the X crystallographic axis of the crystal passing through one set of opposing corners with mounting being effected at an adjacent set of corners respectively .+-.60.degree. away from the X axis which thereby results in a substantially zero frequency shift of the operating frequency.

  11. Asymptotic energy of lattices

    NASA Astrophysics Data System (ADS)

    Yan, Weigen; Zhang, Zuhe

    2009-04-01

    The energy of a simple graph G arising in chemical physics, denoted by E(G), is defined as the sum of the absolute values of eigenvalues of G. As the dimer problem and spanning trees problem in statistical physics, in this paper we propose the energy per vertex problem for lattice systems. In general for a type of lattice in statistical physics, to compute the entropy constant with toroidal, cylindrical, Mobius-band, Klein-bottle, and free boundary conditions are different tasks with different hardness and may have different solutions. We show that the energy per vertex of plane lattices is independent of the toroidal, cylindrical, Mobius-band, Klein-bottle, and free boundary conditions. In particular, the asymptotic formulae of energies of the triangular, 33.42, and hexagonal lattices with toroidal, cylindrical, Mobius-band, Klein-bottle, and free boundary conditions are obtained explicitly.

  12. Hexagonal boron nitride grown by MOVPE

    NASA Astrophysics Data System (ADS)

    Kobayashi, Y.; Akasaka, T.; Makimoto, T.

    2008-11-01

    Hexagonal boron nitride (h-BN) has a potential for optical device applications in the deep ultraviolet spectral region. For several decades, only amorphous and turbostratic boron nitride (BN) films had been grown by chemical vapor deposition and metalorganic vapor phase epitaxy. By introducing flow-rate modulation epitaxy (FME), which enables us to reduce parasitic reactions and lower the optimal growth temperature, we have succeeded in growing single-phase h-BN epitaxial films on nearly lattice-matched (1 1 1) Ni substrates. The h-BN epitaxial films exhibit near-band-gap ultraviolet luminescence at a wavelength of 227 nm in cathodoluminescence at room temperature. The combination of FME and the lattice-matched substrate paves the way for the epitaxial growth of high-quality h-BN.

  13. Imperfect Cloning Operations in Algebraic Quantum Theory

    NASA Astrophysics Data System (ADS)

    Kitajima, Yuichiro

    2015-01-01

    No-cloning theorem says that there is no unitary operation that makes perfect clones of non-orthogonal quantum states. The objective of the present paper is to examine whether an imperfect cloning operation exists or not in a C*-algebraic framework. We define a universal -imperfect cloning operation which tolerates a finite loss of fidelity in the cloned state, and show that an individual system's algebra of observables is abelian if and only if there is a universal -imperfect cloning operation in the case where the loss of fidelity is less than . Therefore in this case no universal -imperfect cloning operation is possible in algebraic quantum theory.

  14. Turing patterns beyond hexagons and stripes.

    PubMed

    Yang, Lingfa; Dolnik, Milos; Zhabotinsky, Anatol M; Epstein, Irving R

    2006-09-01

    The best known Turing patterns are composed of stripes or simple hexagonal arrangements of spots. Until recently, Turing patterns with other geometries have been observed only rarely. Here we present experimental studies and mathematical modeling of the formation and stability of hexagonal and square Turing superlattice patterns in a photosensitive reaction-diffusion system. The superlattices develop from initial conditions created by illuminating the system through a mask consisting of a simple hexagonal or square lattice with a wavelength close to a multiple of the intrinsic Turing pattern's wavelength. We show that interaction of the photochemical periodic forcing with the Turing instability generates multiple spatial harmonics of the forcing patterns. The harmonics situated within the Turing instability band survive after the illumination is switched off and form superlattices. The square superlattices are the first examples of time-independent square Turing patterns. We also demonstrate that in a system where the Turing band is slightly below criticality, spatially uniform internal or external oscillations can create oscillating square patterns. PMID:17014248

  15. A developmental perspective on the Imperfective Paradox.

    PubMed

    Kazanina, Nina; Phillips, Colin

    2007-10-01

    Imperfective or progressive verb morphology makes it possible to use the name of a whole event to refer to an activity that is clearly not a complete instance of that event, leading to what is known as the Imperfective Paradox. For example, a sentence like 'John was building a house' does not entail that a house ever got built. The Imperfective Paradox has received a number of different treatments in the philosophical and linguistic literature, but has received less attention from the perspective of language acquisition. This article presents developmental evidence on the nature of the Imperfective Paradox, based on a series of four experiments conducted with Russian-speaking 3 to 6 year olds. Despite the fact that Russian is a language in which the morphological form of imperfectives is highly salient and used appropriately at a very young age, younger children show a clearly non-adultlike pattern of comprehension in our experiments. The results from Experiments 1 and 2 suggest that Russian-speaking children incorrectly ascribe completion entailments to imperfectives. However, Experiments 3 and 4 indicate that the children recognize that imperfectives can describe incomplete events, and that their problem instead concerns their inability to find a suitable temporal interval against which to evaluate imperfective statements. Specifically, children are only willing to accept an imperfective predicate as a description of a past incomplete event when the sentence contains an explicit temporal modifier that highlights a time interval that ends before the failure point of the event. These findings are taken as support for an account of the imperfective that makes use of temporal perspectives in solving the Imperfective Paradox.

  16. Hexagonal quartz resonator

    DOEpatents

    Peters, R.D.M.

    1982-11-02

    A generally flat, relatively thin AT-cut piezoelectric resonator element structured to minimize the force-frequency effect when mounted and energized in a housing. The resonator is in the form of an equilateral hexagon with the X crystallographic axis of the crystal passing through one set of opposing corners with mounting being effected at an adjacent set of corners respectively [+-]60[degree] away from the X axis which thereby results in a substantially zero frequency shift of the operating frequency. 3 figs.

  17. A Developmental Perspective on the Imperfective Paradox

    ERIC Educational Resources Information Center

    Kazanina, Nina; Phillips, Colin

    2007-01-01

    Imperfective or progressive verb morphology makes it possible to use the name of a whole event to refer to an activity that is clearly not a complete instance of that event, leading to what is known as the Imperfective Paradox. For example, a sentence like "John was building a house" does not entail that a house ever got built. The Imperfective…

  18. Room-Temperature Multiferroic Hexagonal LuFeO3

    SciTech Connect

    Cheng, Xuemei; Balke, Nina; Chi, Miaofang; Gai, Zheng; Keavney, David; Lee, Ho Nyung; Shen, Jian; Snijders, Paul C; Wang, Wenbin; Ward, Thomas Z; Xu, Xiaoshan; Yi, Jieyu; Zhu, Leyi; Christen, Hans M; Zhao, Jun

    2013-01-01

    We observed the coexistence of ferroelectricity and weak ferromagnetism at room temperature in the hexagonal phase of LuFeO3 stabilized by epitaxial thin film growth. While the ferroelectricity in hexagonal LuFeO3 can be understood as arising from its polar structure, the observation of weak ferromagnetism at room temperature is remarkable considering the frustrated triangular spin structure. An explanation of the room temperature weak ferromagnetism is proposed in terms of a subtle lattice distortion revealed by the structural characterization. The combination of ferroelectricity and weak ferromagnetism in epitaxial films at room temperature offers great potential for the application of this novel multiferroic material in next generation devices.

  19. Enhanced physics design with hexagonal repeated structure tools using Monte Carlo methods

    SciTech Connect

    Carter, L L; Lan, J S; Schwarz, R A

    1991-01-01

    This report discusses proposed new missions for the Fast Flux Test Facility (FFTF) reactor which involve the use of target assemblies containing local hydrogenous moderation within this otherwise fast reactor. Parametric physics design studies with Monte Carlo methods are routinely utilized to analyze the rapidly changing neutron spectrum. An extensive utilization of the hexagonal lattice within lattice capabilities of the Monte Carlo Neutron Photon (MCNP) continuous energy Monte Carlo computer code is applied here to solving such problems. Simpler examples that use the lattice capability to describe fuel pins within a brute force'' description of the hexagonal assemblies are also given.

  20. Imperfect information facilitates the evolution of reciprocity.

    PubMed

    Kurokawa, Shun

    2016-06-01

    The existence of cooperation demands explanation since cooperation is costly to the actor. Reciprocity has long been regarded as a potential explanatory mechanism for the existence of cooperation. Reciprocity is a mechanism wherein a cooperator responds to an opponent's behavior by switching his/her own behavior. Hence, a possible problematic case relevant to the theory of reciprocity evolution arises when the mechanism is such that the information regarding an opponent's behavior is imperfect. Although it has been confirmed also by previous theoretical studies that imperfect information interferes with the evolution of reciprocity, this argument is based on the assumption that there are no mistakes in behavior. And, a previous study presumed that it might be expected that when such mistakes occur, reciprocity can more readily evolve in the case of imperfect information than in the case of perfect information. The reason why the previous study considers so is that in the former case, reciprocators can miss defections incurred by other reciprocators' mistakes due to imperfect information, allowing cooperation to persist when such reciprocators meet. However, contrary to this expectation, the previous study has shown that even when mistakes occur, imperfect information interferes with the evolution of reciprocity. Nevertheless, the previous study assumed that payoffs are linear (i.e., that the effect of behavior is additive and there are no synergetic effects). In this study, we revisited the same problem but removed the assumption that payoffs are linear. We used evolutionarily stable strategy analysis to compare the condition for reciprocity to evolve when mistakes occur and information is imperfect with the condition for reciprocity to evolve when mistakes occur and information is perfect. Our study revealed that when payoffs are not linear, imperfect information can facilitate the evolution of reciprocity when mistakes occur; while when payoffs are linear

  1. Understanding Your Vision: The "Imperfect Eye"

    MedlinePlus

    ... Navigation Bar Home Current Issue Past Issues Feature: Vision Understanding Your Vision: The "Imperfect Eye" Past Issues / Summer 2008 Table ... are different and so are the types of vision that we have. Understanding how some of us ...

  2. Teaching Imperfect Competition at the Principles Level.

    ERIC Educational Resources Information Center

    Weber, William V.; Highfill, Jannett K.

    1990-01-01

    Argues that, although most economics textbooks' explanations of imperfect competition may involve three to five models, the concept can be taught using a single, simple model. Uses several business/economic examples as illustrations. (DB)

  3. On the perfect hexagonal packing of rods

    NASA Astrophysics Data System (ADS)

    Starostin, E. L.

    2006-04-01

    In most cases the hexagonal packing of fibrous structures or rods extremizes the energy of interaction between strands. If the strands are not straight, then it is still possible to form a perfect hexatic bundle. Conditions under which the perfect hexagonal packing of curved tubular structures may exist are formulated. Particular attention is given to closed or cycled arrangements of the rods like in the DNA toroids and spools. The closure or return constraints of the bundle result in an allowable group of automorphisms of the cross-sectional hexagonal lattice. The structure of this group is explored. Examples of open helical-like and closed toroidal-like bundles are presented. An expression for the elastic energy of a perfectly packed bundle of thin elastic rods is derived. The energy accounts for both the bending and torsional stiffnesses of the rods. It is shown that equilibria of the bundle correspond to solutions of a variational problem formulated for the curve representing the axis of the bundle. The functional involves a function of the squared curvature under the constraints on the total torsion and the length. The Euler-Lagrange equations are obtained in terms of curvature and torsion and due to the existence of the first integrals the problem is reduced to the quadrature. The three-dimensional shape of the bundle may be readily reconstructed by integration of the Ilyukhin-type equations in special cylindrical coordinates. The results are of universal nature and are applicable to various fibrous structures, in particular, to intramolecular liquid crystals formed by DNA condensed in toroids or packed inside the viral capsids. International Workshop on Biopolymers: Thermodynamics, Kinetics and Mechanics of DNA, RNA and Proteins, 30.05.2005-3.06.2005, The Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy.

  4. Epitaxial Growth of Cubic Crystalline Semiconductor Alloys on Basal Plane of Trigonal or Hexagonal Crystal

    NASA Technical Reports Server (NTRS)

    Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor)

    2011-01-01

    Hetero-epitaxial semiconductor materials comprising cubic crystalline semiconductor alloys grown on the basal plane of trigonal and hexagonal substrates, in which misfit dislocations are reduced by approximate lattice matching of the cubic crystal structure to underlying trigonal or hexagonal substrate structure, enabling the development of alloyed semiconductor layers of greater thickness, resulting in a new class of semiconductor materials and corresponding devices, including improved hetero-bipolar and high-electron mobility transistors, and high-mobility thermoelectric devices.

  5. A Unified Understanding of the Thickness-Dependent Bandgap Transition in Hexagonal Two-Dimensional Semiconductors.

    PubMed

    Kang, Joongoo; Zhang, Lijun; Wei, Su-Huai

    2016-02-18

    Many important layered semiconductors, such as hexagonal boron nitride (hBN) and transition-metal dichalcogenides (TMDs), are derived from a hexagonal lattice. A single layer of such hexagonal semiconductors generally has a direct bandgap at the high-symmetry point K, whereas it becomes an indirect, optically inactive semiconductor as the number of layers increases to two or more. Here, taking hBN and MoS2 as examples, we reveal the microscopic origin of the direct-to-indirect bandgap transition of hexagonal layered materials. Our symmetry analysis and first-principles calculations show that the bandgap transition arises from the lack of the interlayer orbital couplings for the band-edge states at K, which are inherently weak because of the crystal symmetries of hexagonal layered materials. Therefore, it is necessary to judiciously break the underlying crystal symmetries to design more optically active, multilayered semiconductors from hBN or TMDs.

  6. An Explanation for Saturn's Hexagon

    NASA Astrophysics Data System (ADS)

    Kohler, Susanna

    2015-08-01

    For over three decades, weve been gathering observations of the mysterious hexagonal cloud pattern encircling Saturns north pole. Now, researchers believe they have a model that can better explain its formation.Fascinating GeometrySaturns northern Hexagon is a cloud band circling Saturns north pole at 78 N, first observed by the Voyager flybys in 198081. This remarkable pattern has now persisted for more than a Saturn year (29.5 Earth years).Eight frames demonstrating the motion within Saturns Hexagon. Click to watch the animation! The view is from a reference frame rotating with Saturn. [NASA/JPL-Caltech/SSI/Hampton University]Observations by Voyager and, more recently, Cassini have helped to identify many key characteristics of this bizarre structure. Two interesting things weve learned are:The Hexagon is associated with an eastward zonal jet moving at more than 200 mph.The cause of the Hexagon is believed to be a jet stream, similar to the ones that we experience on Earth. The path of the jet itself appears to follow the hexagons outline.The Hexagon rotates at roughly the same rate as Saturns overall rotation.While we observe individual storms and cloud patterns moving at different speeds within the Hexagon, the vertices of the Hexagon move at almost exactly the same rotational speed as that of Saturn itself.Attempts to model the formation of the Hexagon with a jet stream have yet to fully reproduce all of the observed features and behavior. But now, a team led by Ral Morales-Juberas of the New Mexico Institute of Mining and Technology believes they have created a model that better matches what we see.Simulating a Meandering JetThe team ran a series of simulations of an eastward, Gaussian-profile jet around Saturns pole. They introduced small perturbations to the jet and demonstrated that, as a result of the perturbations, the jet can meander into a hexagonal shape. With the initial conditions of the teams model, the meandering jet is able to settle into a

  7. Thermal stability of hexagonal OsB2

    NASA Astrophysics Data System (ADS)

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A.; Andrew Payzant, E.

    2014-11-01

    The synthesis of novel hexagonal ReB2-type OsB2 ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of 10B and 11B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched 11B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB2 phase was the main product of synthesis with a small quantity of Os2B3 phase present after synthesis as an intermediate product. In the second case, where coarse crystalline 11B powder was used as a raw material, only Os2B3 boride was synthesized mechanochemically. The thermal stability of hexagonal OsB2 powder was studied by heating under argon up to 876 °C and cooling in vacuo down to -225 °C. During the heating, the sacrificial reaction 2OsB2+3O2→2Os+2B2O3 took place due to presence of O2/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B2O3 and precipitation of Os metal out of the OsB2 lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB2 changed significantly. The shrinkage of the a lattice parameter was recorded in 276-426 °C temperature range upon heating, which was attributed to the removal of B atoms from the OsB2 lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O2, the hexagonal OsB2 ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice parameters and no phase changes detected during cooling.

  8. Thermal stability of hexagonal OsB2

    SciTech Connect

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A; Payzant, E Andrew

    2014-01-01

    The synthesis of novel hexagonal ReB2-type OsB2 ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of 10B and 11B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched 11B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB2 phase was the main product of synthesis with a small quantity of Os2B3 phase present after synthesis as an intermediate product. In the second case, where coarse crystalline 11B powder was used as a raw material, only Os2B3 boride was synthesized mechanochemically. The thermal stability of hexagonal OsB2 powder was studied by heating under argon up to 876 C and cooling in vacuo down to 225 C. During the heating, the sacrificial reaction 2OsB2+3O2 2Os+2B2O3 took place due to presence of O2/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B2O3 and precipitation of Os metal out of the OsB2 lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB2 changed significantly. The shrinkage of the a lattice parameter was recorded in 276 426 C temperature range upon heating, which was attributed to the removal of B atoms from the OsB2 lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O2, the hexagonal OsB2 ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice parameters and no phase changes detected during cooling.

  9. Predator cognition permits imperfect coral snake mimicry.

    PubMed

    Kikuchi, David W; Pfennig, David W

    2010-12-01

    Batesian mimicry is often imprecise. An underexplored explanation for imperfect mimicry is that predators might not be able to use all dimensions of prey phenotype to distinguish mimics from models and thus permit imperfect mimicry to persist. We conducted a field experiment to test whether or not predators can distinguish deadly coral snakes (Micrurus fulvius) from nonvenomous scarlet kingsnakes (Lampropeltis elapsoides). Although the two species closely resemble one another, the order of colored rings that encircle their bodies differs. Despite this imprecise mimicry, we found that L. elapsoides that match coral snakes in other respects are not under selection to match the ring order of their model. We suggest that L. elapsoides have evolved only those signals necessary to deceive predators. Generally, imperfect mimicry might suffice if it exploits limitations in predator cognitive abilities.

  10. Generic substitution, financial interests, and imperfect agency.

    PubMed

    Rischatsch, Maurus; Trottmann, Maria; Zweifel, Peter

    2013-06-01

    Policy makers around the world seek to encourage generic substitution. In this paper, the importance of prescribing physicians' imperfect agency is tested using the fact that some Swiss jurisdictions allow physicians to dispense drugs on their own account (physician dispensing, PD) while others disallow it. We estimate a model of physician drug choice with the help of drug claim data, finding a significant positive association between PD and the use of generics. While this points to imperfect agency, generics are prescribed more often to patients with high copayments or low incomes.

  11. Imperfect wetting of hydrogen in zeolite

    SciTech Connect

    Sullivan, N.S.; Rall, M.

    1995-11-01

    We have considered the theoretical dependencies of the amount of supercooling of liquid hydrogen as a function of pore size for constrained geometries in order to compare the different mechanisms for supercooling that can be observed: notably the inhibition of nucleation in small geometries and the use of surfaces for which there is imperfect wetting. Analysis of the dependence of the observed supercooling reported elsewhere for molecular hydrogen and hydrogen deuteride on the pore size in zeolites supports the view that imperfect wetting occurs for small pores that have rough surfaces and dimension less than approximately 10{angstrom}.

  12. Incentives for Cheating Given Imperfect Detection

    SciTech Connect

    Canavan, G.H.

    1998-10-01

    The incentives for cheating given imperfect detection can be discussed within the context of first strike stability. The cost reduction due to is balanced against the sanctions that would be imposed if cheating was detected. For small political sanctions, the optimum level is at high levels of cheating. For large sanctions, the optimum is at quite low levels, which discourages cheating.

  13. On the Structure of a New Superhard Hexagonal Carbon Phase

    NASA Astrophysics Data System (ADS)

    Zhang, Bin; Liang, Yongcheng; Guo, Zaoyang; Bordas, Stéphane

    2010-05-01

    Molecular dynamics simulations show that graphite will transform into a superhard phase under cold compression. Recent experiments show that there is a sp3-rich hexagonal carbon polymorph (a0 = 2.496 Å, c0 = 4.123 Å) with a bulk modulus of 447 GPa and average density about 3.6 g/cm3, restricted to the space group of P-62c (No. 190), but the detailed atomic structure was not obtained [Wang et al., P. Natl. Acad. Sci. 101(38), 13699]. Here we set carbon atoms occupying P-62c 4f Wyckoff positions of P-62c, and calculate the total energy of the different structures changing the internal parameter z by first-principles calculations using geometry optimisation algorithm in CASTEP code, which shows that the stable structures in energy (at local minimum points) are hexagonal carbon (z = 1/4) and hexagonal diamond (z = 1/16). The calculated mechanical properties and lattice parameters of the structure P-62c 4f (z = 1/4) are in good agreement with those of the new hexagonal carbon proposed by Wang et al., which indicates that the atomic structure is a possible candidate.

  14. Liquid phase deposition synthesis of hexagonal molybdenum trioxide thin films

    SciTech Connect

    Deki, Shigehito; Beleke, Alexis Bienvenu; Kotani, Yuki; Mizuhata, Minoru

    2009-09-15

    Hexagonal molybdenum trioxide thin films with good crystallinity and high purity have been fabricated by the liquid phase deposition (LPD) technique using molybdic acid (H{sub 2}MoO{sub 4}) dissolved in 2.82% hydrofluoric acid (HF) and H{sub 3}BO{sub 3} as precursors. The crystal was found to belong to a hexagonal hydrate system MoO{sub 3}.nH{sub 2}O (napprox0.56). The unit cell lattice parameters are a=10.651 A, c=3.725 A and V=365.997 A{sup 3}. Scanning electron microscope (SEM) images of the as-deposited samples showed well-shaped hexagonal rods nuclei that grew and where the amount increased with increase in reaction time. X-ray photon electron spectroscopy (XPS) spectra showed a Gaussian shape of the doublet of Mo 3d core level, indicating the presence of Mo{sup 6+} oxidation state in the deposited films. The deposited films exhibited an electrochromic behavior by lithium intercalation and deintercalation, which resulted in coloration and bleaching of the film. Upon dehydration at about 450 deg. C, the hexagonal MoO{sub 3}.nH{sub 2}O was transformed into the thermodynamically stable orthorhombic phase. - Abstract: SEM photograph of typical h-MoO{sub 3}.nH{sub 2}O thin film nuclei obtained after 36 h at 40 deg. C by the LPD method. Display Omitted

  15. Transitions induced by solubilized fat into reverse hexagonal mesophases.

    PubMed

    Amar-Yuli, Idit; Garti, Nissim

    2005-06-25

    . In addition, it was found that in tricaprylin/GMO/water systems, the increase in temperature caused a decrease in the lattice parameter. The effect of NaCl on the H(II) mesophase revealed interesting results. At low concentration of tricaprylin (5 wt%), the addition of only 0.1 wt% of NaCl was sufficient to cause the formation of well-defined H(II) mesophase, while further addition of electrolyte increased the hexagonal lattice parameters. At higher TAGs concentrations (10 wt%), addition of electrolyte resulted in the formation of H(II) with modifications of the lattice parameter. All the examined effects were more pronounced with increasing water content.

  16. Imperfect chimera states for coupled pendula.

    PubMed

    Kapitaniak, Tomasz; Kuzma, Patrycja; Wojewoda, Jerzy; Czolczynski, Krzysztof; Maistrenko, Yuri

    2014-01-01

    The phenomenon of chimera states in the systems of coupled, identical oscillators has attracted a great deal of recent theoretical and experimental interest. In such a state, different groups of oscillators can exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Here, considering the coupled pendula, we find another pattern, the so-called imperfect chimera state, which is characterized by a certain number of oscillators which escape from the synchronized chimera's cluster or behave differently than most of uncorrelated pendula. The escaped elements oscillate with different average frequencies (Poincare rotation number). We show that imperfect chimera can be realized in simple experiments with mechanical oscillators, namely Huygens clock. The mathematical model of our experiment shows that the observed chimera states are controlled by elementary dynamical equations derived from Newton's laws that are ubiquitous in many physical and engineering systems.

  17. The evolution of imperfect floral mimicry.

    PubMed

    Vereecken, Nicolas J; Schiestl, Florian P

    2008-05-27

    The theory of mimicry predicts that selection favors signal refinement in mimics to optimally match the signals released by their specific model species. We provide here chemical and behavioral evidence that a sexually deceptive orchid benefits from its mimetic imperfection to its co-occurring and specific bee model by triggering a stronger response in male bees, which react more intensively to the similar, but novel, scent stimulus provided by the orchid.

  18. Hexagonal assembly of a restricting TRIM5α protein

    PubMed Central

    Ganser-Pornillos, Barbie K.; Chandrasekaran, Viswanathan; Pornillos, Owen; Sodroski, Joseph G.; Sundquist, Wesley I.; Yeager, Mark

    2011-01-01

    TRIM5α proteins are restriction factors that protect mammalian cells from retroviral infections by binding incoming viral capsids, accelerating their dissociation, and preventing reverse transcription of the viral genome. Individual TRIM5 isoforms can often protect cells against a broad range of retroviruses, as exemplified by rhesus monkey TRIM5α and its variant, TRIM5-21R, which recognize HIV-1 as well as several distantly related retroviruses. Although capsid recognition is not yet fully understood, previous work has shown that the C-terminal SPRY/B30.2 domain of dimeric TRIM5α binds directly to viral capsids, and that higher-order TRIM5α oligomerization appears to contribute to the efficiency of capsid recognition. Here, we report that recombinant TRIM5-21R spontaneously assembled into two-dimensional paracrystalline hexagonal lattices comprising open, six-sided rings. TRIM5-21R assembly did not require the C-terminal SPRY domain, but did require both protein dimerization and a B-box 2 residue (Arg121) previously implicated in TRIM5α restriction and higher-order assembly. Furthermore, TRIM5-21R assembly was promoted by binding to hexagonal arrays of the HIV-1 CA protein that mimic the surface of the viral capsid. We therefore propose that TRIM5α proteins have evolved to restrict a range of different retroviruses by assembling a deformable hexagonal scaffold that positions the capsid-binding domains to match the symmetry and spacing of the capsid surface lattice. Capsid recognition therefore involves a synergistic combination of direct binding interactions, avidity effects, templated assembly, and lattice complementarity. PMID:21187419

  19. Status of the ATF2 Lattices

    SciTech Connect

    Marin, E.; Tomas, R.; Bambade, P.; Okugi, T.; Tauchi, T.; Terunuma, N.; Urakawa, J.; Seryi, A.; White, G.; Woodley, M.; /SLAC

    2011-12-09

    The current status for the ATF2 Nominal and Ultra-low {beta}* lattices are presented in this paper. New lattice designs have been obtained in order to minimise the impact of the last interpretation of multipole measurements that have been included into the model. However, the new ATF2 Ultra-low design is not able to recover the expected vertical beam size at the IP with the current magnet distribution. Therefore, different quadrupole sorting have been studied. A significant gain is evident for the ATF2 Ultra-low lattice when sorting the magnets according to the skew-sextupolar components. The ATF2 Nominal lattice is also expected to benefit from the new sorting. Tuning results of the new ATF2 Ultra-low lattice under realistic imperfections are also reported.

  20. Quantum metrology with imperfect states and detectors

    SciTech Connect

    Datta, Animesh; Zhang Lijian; Thomas-Peter, Nicholas; Smith, Brian J.; Walmsley, Ian A.; Dorner, Uwe

    2011-06-15

    Quantum enhancements of precision in metrology can be compromised by system imperfections. These may be mitigated by appropriate optimization of the input state to render it robust, at the expense of making the state difficult to prepare. In this paper, we identify the major sources of imperfection of an optical sensor: input state preparation inefficiency, sensor losses, and detector inefficiency. The second of these has received much attention; we show that it is the least damaging to surpassing the standard quantum limit in a optical interferometric sensor. Further, we show that photonic states that can be prepared in the laboratory using feasible resources allow a measurement strategy using photon-number-resolving detectors that not only attain the Heisenberg limit for phase estimation in the absence of losses, but also deliver close to the maximum possible precision in realistic scenarios including losses and inefficiencies. In particular, we give bounds for the tradeoff between the three sources of imperfection that will allow true quantum-enhanced optical metrology

  1. Microstructural and crystallographic imperfections of MgB{sub 2} superconducting wire and their correlation with the critical current density

    SciTech Connect

    Shahabuddin, Mohammed; Alzayed, Nasser S.; Oh, Sangjun; Choi, Seyong; Maeda, Minoru; Hata, Satoshi; Shimada, Yusuke; Hossain, Md Shahriar Al; Kim, Jung Ho

    2014-01-15

    A comprehensive study of the effects of structural imperfections in MgB{sub 2} superconducting wire has been conducted. As the sintering temperature becomes lower, the structural imperfections of the MgB{sub 2} material are increased, as reflected by detailed X-ray refinement and the normal state resistivity. The crystalline imperfections, caused by lattice disorder, directly affect the impurity scattering between the π and σ bands of MgB{sub 2}, resulting in a larger upper critical field. In addition, low sintering temperature keeps the grain size small, which leads to a strong enhancement of pinning, and thereby, enhanced critical current density. Owing to both the impurity scattering and the grain boundary pinning, the critical current density, irreversibility field, and upper critical field are enhanced. Residual voids or porosities obviously remain in the MgB{sub 2}, however, even at low sintering temperature, and thus block current transport paths.

  2. Thermal stability of hexagonal OsB{sub 2}

    SciTech Connect

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A.; Andrew Payzant, E.

    2014-11-15

    The synthesis of novel hexagonal ReB{sub 2}-type OsB{sub 2} ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of {sup 10}B and {sup 11}B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched {sup 11}B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB{sub 2} phase was the main product of synthesis with a small quantity of Os{sub 2}B{sub 3} phase present after synthesis as an intermediate product. In the second case, where coarse crystalline {sup 11}B powder was used as a raw material, only Os{sub 2}B{sub 3} boride was synthesized mechanochemically. The thermal stability of hexagonal OsB{sub 2} powder was studied by heating under argon up to 876 °C and cooling in vacuo down to −225 °C. During the heating, the sacrificial reaction 2OsB{sub 2}+3O{sub 2}→2Os+2B{sub 2}O{sub 3} took place due to presence of O{sub 2}/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B{sub 2}O{sub 3} and precipitation of Os metal out of the OsB{sub 2} lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB{sub 2} changed significantly. The shrinkage of the a lattice parameter was recorded in 276–426 °C temperature range upon heating, which was attributed to the removal of B atoms from the OsB{sub 2} lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O{sub 2}, the hexagonal OsB{sub 2} ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice

  3. Shell Buckling Design Criteria Based on Manufacturing Imperfection Signatures

    NASA Technical Reports Server (NTRS)

    Hilburger, Mark W.; Nemeth, Michael P.; Starnes, James H., Jr.

    2004-01-01

    An analysis-based approach .for developing shell-buckling design criteria for laminated-composite cylindrical shells that accurately accounts for the effects of initial geometric imperfections is presented. With this approach, measured initial geometric imperfection data from six graphite-epoxy shells are used to determine a manufacturing-process-specific imperfection signature for these shells. This imperfection signature is then used as input into nonlinear finite-element analyses. The imperfection signature represents a "first-approximation" mean imperfection shape that is suitable for developing preliminary-design data. Comparisons of test data and analytical results obtained by using several different imperfection shapes are presented for selected shells. Overall, the results indicate that the analysis-based approach presented for developing reliable preliminary-design criteria has the potential to provide improved, less conservative buckling-load estimates, and to reduce the weight and cost of developing buckling-resistant shell structures.

  4. Hexagonal diamonds in meteorites: implications.

    PubMed

    Hanneman, R E; Strong, H M; Bundy, F P

    1967-02-24

    A new polymorph of carbon, hexagonal diamond, has been discovered in the Canyon Diablo and Goalpara meteorites. This phase had been synthesized recently under specific high-pressure conditions in the laboratory. Our results: provide strong evidence that diamonds found in these meteorites were produced by intense shock pressures acting on crystalline graphite inclusions present within the meteorite before impact, rather than by disintegration of larger, statically grown diamonds, as some theories propose. PMID:17830485

  5. Phase transformation of strontium hexagonal ferrite

    NASA Astrophysics Data System (ADS)

    Bilovol, V.; Martínez-García, R.

    2015-11-01

    The phase transformation of strontium hexagonal ferrite (SrFe12O19) to magnetite (Fe3O4) as main phase and strontium carbonate (SrCO3) as secondary phase is reported here. SrFe12O19 powder was obtained by a heat treatment at 250 °C under controlled oxygen flow. It was observed that the phase transformation occurred when the SrFe12O19 ferrite was heated up to 625 °C in confinement conditions. This transformation took place by a combination of three factors: the presence of stresses in the crystal lattice of SrFe12O19 due to a low synthesis temperature, the reduction of Fe3+ to Fe2+ during the heating up to 625 °C, and the similarity of the coordination spheres of the iron atoms present in the S-block of SrFe12O19 and Fe3O4. X-ray diffraction analysis confirmed the existence of strain and crystal deformation in SrFe12O19 and the absence of them in the material after the phase transformation. Dispersive X-ray absorption spectroscopy and Fe57 Mössbauer spectroscopy provided evidences of the reduction of Fe3+ to Fe2+ in the SrFe12O19 crystal.

  6. A hexagonal orthogonal-oriented pyramid as a model of image representation in visual cortex

    NASA Technical Reports Server (NTRS)

    Watson, Andrew B.; Ahumada, Albert J., Jr.

    1989-01-01

    Retinal ganglion cells represent the visual image with a spatial code, in which each cell conveys information about a small region in the image. In contrast, cells of the primary visual cortex use a hybrid space-frequency code in which each cell conveys information about a region that is local in space, spatial frequency, and orientation. A mathematical model for this transformation is described. The hexagonal orthogonal-oriented quadrature pyramid (HOP) transform, which operates on a hexagonal input lattice, uses basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The basis functions, which are generated from seven basic types through a recursive process, form an image code of the pyramid type. The seven basis functions, six bandpass and one low-pass, occupy a point and a hexagon of six nearest neighbors on a hexagonal lattice. The six bandpass basis functions consist of three with even symmetry, and three with odd symmetry. At the lowest level, the inputs are image samples. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing square root of 7 larger than the previous level, so that the number of coefficients is reduced by a factor of seven at each level. In the biological model, the input lattice is the retinal ganglion cell array. The resulting scheme provides a compact, efficient code of the image and generates receptive fields that resemble those of the primary visual cortex.

  7. Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111)

    NASA Astrophysics Data System (ADS)

    Tsipas, P.; Kassavetis, S.; Tsoutsou, D.; Xenogiannopoulou, E.; Golias, E.; Giamini, S. A.; Grazianetti, C.; Chiappe, D.; Molle, A.; Fanciulli, M.; Dimoulas, A.

    2013-12-01

    Ultrathin (sub-monolayer to 12 monolayers) AlN nanosheets are grown epitaxially by plasma assisted molecular beam epitaxy on Ag(111) single crystals. Electron diffraction and scanning tunneling microscopy provide evidence that AlN on Ag adopts a graphite-like hexagonal structure with a larger lattice constant compared to bulk-like wurtzite AlN. This claim is further supported by ultraviolet photoelectron spectroscopy indicating a reduced energy bandgap as expected for hexagonal AlN.

  8. Trend estimation in populations with imperfect detection

    USGS Publications Warehouse

    Kery, Marc; Dorazio, Robert M.; Soldaat, Leo; Van Strien, Arco; Zuiderwijk, Annie; Royle, J. Andrew

    2009-01-01

    1. Trends of animal populations are of great interest in ecology but cannot be directly observed owing to imperfect detection. Binomial mixture models use replicated counts to estimate abundance, corrected for detection, in demographically closed populations. Here, we extend these models to open populations and illustrate them using sand lizard Lacerta agilis counts from the national Dutch reptile monitoring scheme. 2. Our model requires replicated counts from multiple sites in each of several periods, within which population closure is assumed. Counts are described by a hierarchical generalized linear model, where the state model deals with spatio-temporal patterns in true abundance and the observation model with imperfect counts, given that true state. We used WinBUGS to fit the model to lizard counts from 208 transects with 1–10 (mean 3) replicate surveys during each spring 1994–2005. 3. Our state model for abundance contained two independent log-linear Poisson regressions on year for coastal and inland sites, and random site effects to account for unexplained heterogeneity. The observation model for detection of an individual lizard contained effects of region, survey date, temperature, observer experience and random survey effects. 4. Lizard populations increased in both regions but more steeply on the coast. Detectability increased over the first few years of the study, was greater on the coast and for the most experienced observers, and highest around 1 June. Interestingly, the population increase inland was not detectable when the observed counts were analysed without account of detectability. The proportional increase between 1994 and 2005 in total lizard abundance across all sites was estimated at 86% (95% CRI 35–151). 5. Synthesis and applications. Open-population binomial mixture models are attractive for studying true population dynamics while explicitly accounting for the observation process, i.e. imperfect detection. We emphasize the important

  9. Method for correcting imperfections on a surface

    SciTech Connect

    Sweatt, William C.; Weed, John W.

    1999-09-07

    A process for producing near perfect optical surfaces. A previously polished optical surface is measured to determine its deviations from the desired perfect surface. A multi-aperture mask is designed based on this measurement and fabricated such that deposition through the mask will correct the deviations in the surface to an acceptable level. Various mask geometries can be used: variable individual aperture sizes using a fixed grid for the apertures or fixed aperture sizes using a variable aperture spacing. The imperfections are filled in using a vacuum deposition process with a very thin thickness of material such as silicon monoxide to produce an amorphous surface that bonds well to a glass substrate.

  10. Learning receptor positions from imperfectly known motions

    NASA Astrophysics Data System (ADS)

    Ahumada, Albert J., Jr.; Mulligan, Jeffrey B.

    1990-10-01

    An algorithm is described for learning image interpolation functions for sensor arrays whose sensor positions are somewhat disordered. The learning is based on failures of translation invariance, so it does not require knowledge of the images being presented to the visual system. Previously reported implementations of the method assumed the visual system to have precise knowledge of the translations. We demonstrate here that translation estimates computed from the imperfectly interpolated images can have enough accuracy to allow the learning process to converge to a correct interpolation.

  11. Chaos in an imperfectly premixed model combustor

    SciTech Connect

    Kabiraj, Lipika Saurabh, Aditya; Paschereit, Christian O.; Karimi, Nader; Sailor, Anna; Mastorakos, Epaminondas; Dowling, Ann P.

    2015-02-15

    This article reports nonlinear bifurcations observed in a laboratory scale, turbulent combustor operating under imperfectly premixed mode with global equivalence ratio as the control parameter. The results indicate that the dynamics of thermoacoustic instability correspond to quasi-periodic bifurcation to low-dimensional, deterministic chaos, a route that is common to a variety of dissipative nonlinear systems. The results support the recent identification of bifurcation scenarios in a laminar premixed flame combustor (Kabiraj et al., Chaos: Interdiscip. J. Nonlinear Sci. 22, 023129 (2012)) and extend the observation to a practically relevant combustor configuration.

  12. Imperfection, practice and humility in clinical ethics.

    PubMed

    Garchar, Kim

    2012-10-01

    In this essay, I provide a description of the discipline of ethics using the philosophies of Aristotle and the American pragmatist John Dewey. Specifically, I argue that ethics is an active undertaking that is ambiguous and pluralistic. I then normatively prescribe the way in which clinical ethicists ought to approach their work in medicine. Rather than endeavouring to become, or behaving as if they are, experts, clinical ethicists must be humble. They must practise ethics. That is, they must admit ethics is the study and pursuit of the good life but that this study and pursuit occurs imperfectly in the face of problematic situations.

  13. Imperfect relativistic mirrors in the quantum regime

    SciTech Connect

    Mendonça, J. T.; Serbeto, A.; Galvão, R. M. O.

    2014-05-15

    The collective backscattering of intense laser radiation by energetic electron beams is considered in the relativistic quantum regime. Exact solutions for the radiation field are obtained, for arbitrary electron pulse shapes and laser intensities. The electron beams act as imperfect nonlinear mirrors on the incident laser radiation. This collective backscattering process can lead to the development of new sources of ultra-short pulse radiation in the gamma-ray domain. Numerical examples show that, for plausible experimental conditions, intense pulses of gamma-rays, due to the double Doppler shift of the harmonics of the incident laser radiation, can be produced using the available technology, with durations less than 1 as.

  14. Lattice QCD

    SciTech Connect

    Bornyakov, V.G.

    2005-06-01

    Possibilities that are provided by a lattice regularization of QCD for studying nonperturbative properties of QCD are discussed. A review of some recent results obtained from computer calculations in lattice QCD is given. In particular, the results for the QCD vacuum structure, the hadron mass spectrum, and the strong coupling constant are considered.

  15. Modeling Being "Lost": Imperfect Situation Awareness

    NASA Technical Reports Server (NTRS)

    Middleton, Victor E.

    2011-01-01

    Being "lost" is an exemplar of imperfect Situation Awareness/Situation Understanding (SA/SU) -- information/knowledge that is uncertain, incomplete, and/or just wrong. Being "lost" may be a geo-spatial condition - not knowing/being wrong about where to go or how to get there. More broadly, being "lost" can serve as a metaphor for uncertainty and/or inaccuracy - not knowing/being wrong about how one fits into a larger world view, what one wants to do, or how to do it. This paper discusses using agent based modeling (ABM) to explore imperfect SA/SU, simulating geo-spatially "lost" intelligent agents trying to navigate in a virtual world. Each agent has a unique "mental map" -- its idiosyncratic view of its geo-spatial environment. Its decisions are based on this idiosyncratic view, but behavior outcomes are based on ground truth. Consequently, the rate and degree to which an agent's expectations diverge from ground truth provide measures of that agent's SA/SU.

  16. Imperfect twinning: a clinical and ethical dilemma

    PubMed Central

    Denardin, Daniela; Telles, Jorge Alberto B.; Betat, Rosilene da Silveira; Fell, Paulo Renato K.; da Cunha, André Campos; Targa, Luciano Vieira; Zen, Paulo Ricardo G.; Rosa, Rafael Fabiano M.

    2013-01-01

    OBJECTIVE To review the history, epidemiology, etiology, gestational aspects, diagnosis and prognosis of imperfect twinning. DATA SOURCES Scientific articles were searched in PubMed, SciELO and Lilacs databases, using the descriptors "conjoined twins", "multiple pregnancy", "ultrasound", "magnetic resonance imaging" and "prognosis". The research was not delimited to a specific period of time and was supplemented with bibliographic data from books. DATA SYNTHESIS: The description of conjoined twins is legendary. The estimated frequency is 1/45,000-200,000 births. These twins are monozygotic, monochorionic and usually monoamniotic. They can be classified by the most prominent fusion site, by the symmetry between the conjoined twins or by the sharing structure. The diagnosis can be performed in the prenatal period or after birth by different techniques, such as ultrasound, magnetic resonance imaging and echocardiography. These tests are of paramount importance for understanding the anatomy of both fetuses/children, as well as for prognosis and surgical plan determination. CONCLUSIONS Although imperfect twinning is a rare condition, the prenatal diagnosis is very important in order to evaluate the fusion site and its complexity. Hence, the evaluation of these children should be multidisciplinary, involving mainly obstetricians, pediatricians and pediatric surgeons. However, some decisions may constitute real ethical dilemmas, in which different points should be discussed and analyzed with the health team and the family. PMID:24142323

  17. Superradiance Lattice

    NASA Astrophysics Data System (ADS)

    Wang, Da-Wei; Liu, Ren-Bao; Zhu, Shi-Yao; Scully, Marlan O.

    2015-01-01

    We show that the timed Dicke states of a collection of three-level atoms can form a tight-binding lattice in momentum space. This lattice, coined the superradiance lattice (SL), can be constructed based on electromagnetically induced transparency (EIT). For a one-dimensional SL, we need the coupling field of the EIT system to be a standing wave. The detuning between the two components of the standing wave introduces an effective uniform force in momentum space. The quantum lattice dynamics, such as Bloch oscillations, Wannier-Stark ladders, Bloch band collapsing, and dynamic localization can be observed in the SL. The two-dimensional SL provides a flexible platform for Dirac physics in graphene. The SL can be extended to three and higher dimensions where no analogous real space lattices exist with new physics waiting to be explored.

  18. Relations and interactions between twinning and grain boundaries in hexagonal close-packed structures

    NASA Astrophysics Data System (ADS)

    Barrett, Christopher Duncan

    Improving the formability and crashworthiness of wrought magnesium alloys are the two biggest challenges in current magnesium technology. Magnesium is the best material candidate for enabling required improvements in fuel economy of combustion engines and increases in ranges of electric vehicles. In hexagonal closed-packed (HCP) structures, effects of grain size/morphology and crystallographic texture are particularly important. Prior research has established a general understanding of the dependences of strength and strain anisotropy on grain morphology and texture. Unfortunately, deformation, recrystallization, and grain growth strategies that control the microstructures and textures of cubic metals and alloys have not generally worked for HCPs. For example, in Magnesium, the deformation texture induced by primary forming operations (rolling, extrusion, etc.) is not randomized by recrystallization and may strengthen during grain growth. A strong texture reduces formability during secondary forming (stamping, bending, hemming etc.) Thus, the inability to randomize texture has impeded the implementation of magnesium alloys in engineering applications. When rare earth solutes are added to magnesium alloys, distinct new textures are derived. However, `rare earth texture' derivation remains insufficiently explained. Currently, it is hypothesized that unknown mechanisms of alloy processing are at work, arising from the effects of grain boundary intrinsic defect structures on microstructural evolution. This dissertation is a comprehensive attempt to identify formal methodologies of analyzing the behavior of grain boundaries in magnesium. We focus particularly on twin boundaries and asymmetric tilt grain boundaries using molecular dynamics. We begin by exploring twin nucleation in magnesium single crystals, elucidating effects of heterogeneities on twin nucleation and their relationships with concurrent slip. These efforts highlighted the necessity of imperfections to

  19. Anharmonic Nuclear Motion and the Relative Stability of Hexagonal and Cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2015-04-01

    We use extensive first-principles quantum mechanical calculations to show that, although the static lattice and harmonic vibrational energies are almost identical, the anharmonic vibrational energy of hexagonal ice is significantly lower than that of cubic ice. This difference in anharmonicity is crucial, stabilizing hexagonal ice compared with cubic ice by at least 1.4 meV /H2O , in agreement with experimental estimates. The difference in anharmonicity arises predominantly from molecular O-H bond-stretching vibrational modes and is related to the different stacking of atomic layers.

  20. Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?

    PubMed

    Kang, Seoung-Hun; Kim, Gunn; Kwon, Young-Kyun

    2015-02-21

    Hexagonal boron nitride sheets have been noted especially for their enhanced properties as substrates for sp(2) carbon-based nanodevices. To evaluate whether such enhanced properties would be retained under various realistic conditions, we investigate the structural and electronic properties of semiconducting carbon nanotubes on perfect and defective hexagonal boron nitride sheets under an external electric field as well as with a metal impurity, using density functional theory. We verify that the use of a perfect hexagonal boron nitride sheet as a substrate indeed improves the device performances of carbon nanotubes, compared with the use of conventional substrates such as SiO2. We further show that even the hexagonal boron nitride with some defects can show better performance as a substrate. Our calculations, on the other hand, also suggest that some defective boron nitride layers with a monovacancy and a nickel impurity could bring about poor device behavior since the imperfections impair electrical conductivity due to residual scattering under an applied electric field.

  1. Statistical analysis of imperfection effect on cylindrical buckling response

    NASA Astrophysics Data System (ADS)

    Ismail, M. S.; Purbolaksono, J.; Muhammad, N.; Andriyana, A.; Liew, H. L.

    2015-12-01

    It is widely reported that no efficient guidelines for modelling imperfections in composite structures are available. In response, this work evaluates the imperfection factors of axially compressed Carbon Fibre Reinforced Polymer (CFRP) cylinder with different ply angles through finite element (FE) analysis. The sensitivity of imperfection factors were analysed using design of experiment: factorial design approach. From the analysis it identified three critical factors that sensitively reacted towards buckling load. Furthermore empirical equation is proposed according to each type of cylinder. Eventually, critical buckling loads estimated by empirical equation showed good agreements with FE analysis. The design of experiment methodology is useful in identifying parameters that lead to structures imperfection tolerance.

  2. Method for correcting imperfections on a surface

    SciTech Connect

    Sweatt, W.C.; Weed, J.W.

    1999-09-07

    A process for producing near perfect optical surfaces is disclosed. A previously polished optical surface is measured to determine its deviations from the desired perfect surface. A multi-aperture mask is designed based on this measurement and fabricated such that deposition through the mask will correct the deviations in the surface to an acceptable level. Various mask geometries can be used: variable individual aperture sizes using a fixed grid for the apertures or fixed aperture sizes using a variable aperture spacing. The imperfections are filled in using a vacuum deposition process with a very thin thickness of material such as silicon monoxide to produce an amorphous surface that bonds well to a glass substrate.

  3. Imperfect mirror copies of the standard model

    NASA Astrophysics Data System (ADS)

    Berryman, Jeffrey M.; de Gouvêa, André; Hernández, Daniel; Kelly, Kevin J.

    2016-08-01

    Inspired by the standard model of particle physics, we discuss a mechanism for constructing chiral, anomaly-free gauge theories. The gauge symmetries and particle content of such theories are identified using subgroups and complex representations of simple anomaly-free Lie groups, such as S O (10 ) or E6. We explore, using mostly S O (10 ) and the 16 representation, several of these "imperfect copies" of the standard model, including U (1 )N theories, S U (5 )⊗U (1 ) theories, S U (4 )⊗U (1 )2 theories with 4-plets and 6-plets, and chiral S U (3 )⊗S U (2 )⊗U (1 ) . A few general properties of such theories are discussed, as is how they might shed light on nonzero neutrino masses, the dark matter puzzle, and other phenomenologically relevant questions.

  4. Hidden imperfect synchronization of wall turbulence

    NASA Astrophysics Data System (ADS)

    Tardu, Sedat F.

    2010-03-01

    Instantaneous amplitude and phase concept emerging from analytical signal formulation is applied to the wavelet coefficients of streamwise velocity fluctuations in the buffer layer of a near wall turbulent flow. Experiments and direct numerical simulations show both the existence of long periods of inert zones wherein the local phase is constant. These regions are separated by random phase jumps. The local amplitude is globally highly intermittent, but not in the phase locked regions wherein it varies smoothly. These behaviors are reminiscent of phase synchronization phenomena observed in stochastic chaotic systems. The lengths of the constant phase inert (laminar) zones reveal a type I intermittency behavior, in concordance with saddle-node bifurcation, and the periodic orbits of saddle nature recently identified in Couette turbulence. The imperfect synchronization is related to the footprint of coherent Reynolds shear stress producing eddies convecting in the low buffer.

  5. Imperfection sensitivity of pressured buckling of biopolymer spherical shells

    NASA Astrophysics Data System (ADS)

    Zhang, Lei; Ru, C. Q.

    2016-06-01

    Imperfection sensitivity is essential for mechanical behavior of biopolymer shells [such as ultrasound contrast agents (UCAs) and spherical viruses] characterized by high geometric heterogeneity. In this work, an imperfection sensitivity analysis is conducted based on a refined shell model recently developed for spherical biopolymer shells of high structural heterogeneity and thickness nonuniformity. The influence of related parameters (including the ratio of radius to average shell thickness, the ratio of transverse shear modulus to in-plane shear modulus, and the ratio of effective bending thickness to average shell thickness) on imperfection sensitivity is examined for pressured buckling. Our results show that the ratio of effective bending thickness to average shell thickness has a major effect on the imperfection sensitivity, while the effect of the ratio of transverse shear modulus to in-plane shear modulus is usually negligible. For example, with physically realistic parameters for typical imperfect spherical biopolymer shells, the present model predicts that actual maximum external pressure could be reduced to as low as 60% of that of a perfect UCA spherical shell or 55%-65% of that of a perfect spherical virus shell, respectively. The moderate imperfection sensitivity of spherical biopolymer shells with physically realistic imperfection is largely attributed to the fact that biopolymer shells are relatively thicker (defined by smaller radius-to-thickness ratio) and therefore practically realistic imperfection amplitude normalized by thickness is very small as compared to that of classical elastic thin shells which have much larger radius-to-thickness ratio.

  6. Imperfect mimicry and the limits of natural selection.

    PubMed

    Kikuchi, David W; Pfennig, David W

    2013-12-01

    Mimicry--when one organism (the mimic) evolves a phenotypic resemblance to another (the model) due to selective benefits--is widely used to illustrate natural selection's power to generate adaptations. However, many putative mimics resemble their models imprecisely, and such imperfect mimicry represents a specific challenge to mimicry theory and a general one to evolutionary theory. Here, we discuss 11 nonmutually exclusive hypotheses for imperfect mimicry. We group these hypotheses according to whether imperfect mimicry reflects: an artifact of human perception, which is not shared by any naturally occurring predators and therefore is not truly an instance of imperfect mimicry; genetic, developmental or time-lag constraints, which (temporarily) prevent a response to selection for perfect mimicry; relaxed selection, where imperfect mimicry is as adaptive as perfect mimicry; or tradeoffs, where imperfect mimicry is (locally) more adaptive than perfect mimicry. We find that the relaxed selection hypothesis has garnered the most support. However, because only a few study systems have thus far been comprehensively evaluated, the relative contributions of the various hypotheses toward explaining the evolution of imperfect mimicry remain unclear. Ultimately, clarifying why imperfect mimicry exists should provide critical insights into the limits of natural selection in producing complex adaptations.

  7. Magnetic Order and Spin Dynamics in a Hexagonal Rare Earth Manganite

    NASA Astrophysics Data System (ADS)

    Helton, J. S.; Singh, D. K.; Elizabeth, S.; Harikrishnan, S.; Lynn, J. W.

    2011-03-01

    Hexagonal rare earth manganites, RMn O3 R = Dy, Ho, Er, Tm, Yb, Lu, Y, or Sc), have attracted a great deal of recent attention as magnetoelectric multiferroics as most of these systems are ferroelectric at room temperature and display magnetic order below TN ~ 100 K. This magnetic order can be quite complex, as both the R and Mn ions lie on geometrically frustrated triangular lattices. DyMn O3 is typically orthorhombic, but can also be grown in the hexagonal phase; Dy 0.5 Y0.5 Mn O3 displays the hexagonal phase and is magnetically diluted at the rare earth site. We have used neutron scattering experiments to explore the magnetic structure and spin dynamics of Dy 0.5 Y0.5 Mn O3 .

  8. Ballistic Transport in Graphene Antidot Lattices.

    PubMed

    Sandner, Andreas; Preis, Tobias; Schell, Christian; Giudici, Paula; Watanabe, Kenji; Taniguchi, Takashi; Weiss, Dieter; Eroms, Jonathan

    2015-12-01

    The bulk carrier mobility in graphene was shown to be enhanced in graphene-boron nitride heterostructures. However, nanopatterning graphene can add extra damage and drastically degrade the intrinsic properties by edge disorder. Here we show that graphene embedded into a heterostructure with hexagonal boron nitride (hBN) on both sides is protected during a nanopatterning step. In this way, we can prepare graphene-based antidot lattices where the high mobility is preserved. We report magnetotransport experiments in those antidot lattices with lattice periods down to 50 nm. We observe pronounced commensurability features stemming from ballistic orbits around one or several antidots. Due to the short lattice period in our samples, we can also explore the boundary between the classical and the quantum transport regime, as the Fermi wavelength of the electrons approaches the smallest length scale of the artificial potential. PMID:26598218

  9. Perfect crystals grown from imperfect interfaces.

    PubMed

    Falub, Claudiu V; Meduňa, Mojmír; Chrastina, Daniel; Isa, Fabio; Marzegalli, Anna; Kreiliger, Thomas; Taboada, Alfonso G; Isella, Giovanni; Miglio, Leo; Dommann, Alex; von Känel, Hans

    2013-01-01

    The fabrication of advanced devices increasingly requires materials with different properties to be combined in the form of monolithic heterostructures. In practice this means growing epitaxial semiconductor layers on substrates often greatly differing in lattice parameters and thermal expansion coefficients. With increasing layer thickness the relaxation of misfit and thermal strains may cause dislocations, substrate bowing and even layer cracking. Minimizing these drawbacks is therefore essential for heterostructures based on thick layers to be of any use for device fabrication. Here we prove by scanning X-ray nanodiffraction that mismatched Ge crystals epitaxially grown on deeply patterned Si substrates evolve into perfect structures away from the heavily dislocated interface. We show that relaxing thermal and misfit strains result just in lattice bending and tiny crystal tilts. We may thus expect a new concept in which continuous layers are replaced by quasi-continuous crystal arrays to lead to dramatically improved physical properties.

  10. Optimizing imaging polarimeters constructed with imperfect optics.

    PubMed

    Tyo, J Scott; Wei, Hua

    2006-08-01

    Imaging polarimeters are often designed and optimized by assuming that the polarization properties of the optics are nearly ideal. For example, we often assume that the linear polarizers have infinite extinction ratios. It is also usually assumed that the retarding elements have retardances that do not vary either spatially or with the angle of incidence. We consider the case where the polarization optics used to develop an imaging polarimeter are imperfect. Specifically, we examine the expected performance of a system as the extinction ratio of the diattenuators degrades, as the retardance varies spatially, and as the retardance varies with incidence angle. It is found that the penalty in the signal-to-noise ratio for using diattenuators with low extinction ratios is not severe, as an extinction ratio of 5 causes only a 2.0 dB increase in the noise in the reconstructed Stokes parameter images compared with an ideal diattenuator. Likewise, we find that a system can be optimized in the presence of spatially varying retardance, but that angular positioning error is far more important in rotating retarder imaging polarimeters. PMID:16855648

  11. Activated chemoreceptor arrays remain intact and hexagonally packed

    PubMed Central

    Briegel, Ariane; Beeby, Morgan; Thanbichler, Martin; Jensen, Grant J.

    2013-01-01

    Summary Bacterial chemoreceptors cluster into exquisitively sensitive, tunable, highly ordered, polar arrays. While these arrays serve as paradigms of cell signalling in general, it remains unclear what conformational changes transduce signals from the periplasmic tips, where attractants and repellents bind, to the cytoplasmic signalling domains. Conflicting reports support and contest the hypothesis that activation causes large changes in the packing arrangement of the arrays, up to and including their complete disassembly. Using electron cryotomography, here we show that in Caulobacter crescentus, chemoreceptor arrays in cells grown in different media and immediately after exposure to the attractant galactose all exhibit the same 12 nm hexagonal packing arrangement, array size and other structural parameters. ΔcheB and ΔcheR mutants mimicking attractant- or repellent-bound states prior to adaptation also show the same lattice structure. We conclude that signal transduction and amplification must be accomplished through only small, nanoscale conformational changes. PMID:21992450

  12. Columnar epitaxy of hexagonal and orthorhombic silicides on Si(111)

    NASA Technical Reports Server (NTRS)

    Fathauer, R. W.; Nieh, C. W.; Xiao, Q. F.; Hashimoto, Shin

    1990-01-01

    Columnar grains of PtSi and CrSi2 surrounded by high-quality epitaxial silicon are obtained by ultrahigh vacuum codeposition of Si and metal in an approximately 10:1 ratio on Si(111) substrates heated to 610-840 C. This result is similar to that found previously for CoSi2 (a nearly-lattice-matched cubic-fluorite crystal) on Si(111), in spite of the respective orthorhombic and hexagonal structures of PtSi and CrSi2. The PtSi grains are epitaxial and have one of three variants of the relation defined by PtSi(010)/Si(111), with PtSi 001 line/Si 110 line type.

  13. Triplet Pairing in Electron Systems with Hexagonal Symmetry

    NASA Astrophysics Data System (ADS)

    Tanaka, Akihiro; Hu, Xiao

    2004-03-01

    Inspired by the recently discovered superconductor Na_xCoO_2otyH_2O[1], we discuss how a novel triplet pairing state can occur from fermi surface effects/electron correlations in 2d electron systems with hexagonal symmetry[2]. This would serve as a complementary approach to studies based on the RVB picture, which basically concentrate on singlet pairing correlations. Spin and charge transports arising from the nontrivial topology (Chern numbers etc.) in k-space are investigated, and compared with the case of the square lattice. [1] K. Takada et al, Nature vol. 422, 53 (2003). [2] A. Tanaka and X. Hu, Phys. Rev. Lett., in press (cond-mat/0304409).

  14. DNA-Cationic Lipid Complexes: Lamellar and Inverted Hexagonal Phases

    NASA Astrophysics Data System (ADS)

    Koltover, I.; Salditt, T.; Raedler, J.; Safinya, C.

    1998-03-01

    Cationic lipid-DNA (CL-DNA) complexes can be efficient non-viral vectors for gene therapy. However, it is not known why transfection rates vary widely for complexes with different lipid compositions. We have discovered a transition between two distinct liquid crystalline (LC) structures of the complex by varying the lipid composition: a lamellar structure ( J. Raedler, I. Koltover, T. Salditt, C. Safinya, Science 275, 810 (1997)) and a novel LC phase with DNA double-strands surrounded by lipid monolayers arranged on a regular hexagonal lattice. The CL-DNA complexes with the two structures interact differently with giant negatively charged liposomes, which represent the simplest model of cellular membranes. We demonstrate the generality of the lamellar-hexagonal transformation by observing it in complexes of cationic lipid with two other negatively charged biopolymers - polyglutamic acid (PGA), a model polypeptide and poly-thymine (polyT), a model single-stranded oligo-nucleotide. We identify the interactions leading to the transformations between the two complex phases for the three different polyelectrolytes. Supported by NSF DMR-9624091 and a Los Alamos CULAR grant No.STB/UC:95-146.

  15. Novel high pressure hexagonal OsB{sub 2} by mechanochemistry

    SciTech Connect

    Xie, Zhilin; Graule, Moritz; Orlovskaya, Nina; Andrew Payzant, E.; Cullen, David A.; Blair, Richard G.

    2014-07-01

    Hexagonal OsB{sub 2}, a theoretically predicted high-pressure phase, has been synthesized for the first time by a mechanochemical method, i.e., high energy ball milling. X-ray diffraction indicated that formation of hexagonal OsB{sub 2} begins after 2.5 h of milling, and the reaction reaches equilibrium after 18 h of milling. Rietveld refinement of the powder data indicated that hexagonal OsB{sub 2} crystallizes in the P63/mmc space group (No. 194) with lattice parameters of a=2.916 Å and c=7.376 Å. Transmission electron microscopy confirmed the appearance of the hexagonal OsB{sub 2} phase after high energy ball milling. in situ X-ray diffraction experiments showed that the phase is stable from −225 °C to 1050 °C. The hexagonal OsB{sub 2} powder was annealed at 1050 °C for 6 days in vacuo to improve crystallinity and remove strain induced during the mechanochemical synthesis. The structure partially converted to the orthorhombic phase (20 wt%) after fast current assisted sintering of hexagonal OsB{sub 2} at 1500 °C for 5 min. Mechanochemical approaches to the synthesis of hard boride materials allow new phases to be produced that cannot be prepared using conventional methods. - Graphical abstract: High resolution transmission electron micrograph of hexagonal OsB{sub 2} nanocrystallite with corresponding fast Fourier transform and simulated diffraction pattern. - Highlights: • Hexagonal OsB{sub 2} has been synthesized for the first time by mechanochemical method. • Hexagonal OsB{sub 2} crystallizes in P63/mmc space group (No. 194), a=2.916 Å and c=7.376 Å. • The hexagonal structure was confirmed by a transmission electron microscope. • No phase transformation was observed after being annealed at 1050 °C for 6 days. • 20 wt% of h-OsB{sub 2} was transformed to o-OsB{sub 2} after being sintered at 1500 °C for 5 min.

  16. Magnetoelectric effects in multiferroic fibrous composite with imperfect interface

    SciTech Connect

    Wang, X.; Pan, E.

    2007-12-01

    This paper investigates the magnetoelectroelastic responses of multiferroic fibrous composites with imperfectly bonded interface under longitudinal shear. The proposed imperfect interface model is a natural generalization of the shear lag (or the spring layer) model. By virtue of the complex variable method, we first consider the case where an isolated circular multiferroic fiber is imperfectly bonded to an infinite multiferroic matrix. Very concise expressions for the complex field potentials characterizing the magnetoelectroelastic fields inside and outside the circular fiber are obtained when the matrix is subjected to the remote uniform magnetoelectroelastic loading. The Mori-Tanaka mean-field method is then employed to derive the effective moduli of the multiferroic fibrous composite made of randomly distributed fibers reinforced to the matrix. Particularly we demonstrate that the interfacial imperfection in elasticity, electricity, and magnetism will always cause a significant reduction in the magnetoelectric coefficient of the BaTiO{sub 3}-CoFe{sub 2}O{sub 4} fibrous composite.

  17. Quantification of the Forgiveness of Drugs to Imperfect Adherence.

    PubMed

    Assawasuwannakit, P; Braund, R; Duffull, S B

    2015-03-01

    The circumstance of how sensitive therapeutic success is under imperfect adherence is driven by the property known as forgiveness. To date, no studies have considered variability in the pharmacokinetic-pharmacodynamic process in conjunction with imperfect adherence patterns in order to develop a comparative criterion to determine the forgiveness of a drug. In this study, we have proposed a criterion to quantify forgiveness; illustrated the criterion for a theoretical example and evaluated the forgiveness of a motivating example, namely warfarin. A forgiveness criterion, relative forgiveness, is defined as the number of times more likely that a target is successfully attained under perfect adherence compared to imperfect adherence; or when comparing two drugs under a standard setting of imperfect adherence. The relative forgiveness criterion may have important implications for both drug development and clinical practice since the choice of drug can account for the likely influence of its forgiveness. PMID:26225235

  18. Buckling Imperfection Sensitivity of Axially Compressed Orthotropic Cylinders

    NASA Technical Reports Server (NTRS)

    Schultz, Marc R.; Nemeth, Michael P.

    2010-01-01

    Structural stability is a major consideration in the design of lightweight shell structures. However, the theoretical predictions of geometrically perfect structures often considerably over predict the buckling loads of inherently imperfect real structures. It is reasonably well understood how the shell geometry affects the imperfection sensitivity of axially compressed cylindrical shells; however, the effects of shell anisotropy on the imperfection sensitivity is less well understood. In the present paper, the development of an analytical model for assessing the imperfection sensitivity of axially compressed orthotropic cylinders is discussed. Results from the analytical model for four shell designs are compared with those from a general-purpose finite-element code, and good qualitative agreement is found. Reasons for discrepancies are discussed, and potential design implications of this line of research are discussed.

  19. Duality analysis on random planar lattices.

    PubMed

    Ohzeki, Masayuki; Fujii, Keisuke

    2012-11-01

    The conventional duality analysis is employed to identify a location of a critical point on a uniform lattice without any disorder in its structure. In the present study, we deal with the random planar lattice, which consists of the randomized structure based on the square lattice. We introduce the uniformly random modification by the bond dilution and contraction on a part of the unit square. The random planar lattice includes the triangular and hexagonal lattices in extreme cases of a parameter to control the structure. A modern duality analysis fashion with real-space renormalization is found to be available for estimating the location of the critical points with a wide range of the randomness parameter. As a simple test bed, we demonstrate that our method indeed gives several critical points for the cases of the Ising and Potts models and the bond-percolation thresholds on the random planar lattice. Our method leads to not only such an extension of the duality analyses on the classical statistical mechanics but also a fascinating result associated with optimal error thresholds for a class of quantum error correction code, the surface code on the random planar lattice, which is known as a skillful technique to protect the quantum state.

  20. Duality analysis on random planar lattices

    NASA Astrophysics Data System (ADS)

    Ohzeki, Masayuki; Fujii, Keisuke

    2012-11-01

    The conventional duality analysis is employed to identify a location of a critical point on a uniform lattice without any disorder in its structure. In the present study, we deal with the random planar lattice, which consists of the randomized structure based on the square lattice. We introduce the uniformly random modification by the bond dilution and contraction on a part of the unit square. The random planar lattice includes the triangular and hexagonal lattices in extreme cases of a parameter to control the structure. A modern duality analysis fashion with real-space renormalization is found to be available for estimating the location of the critical points with a wide range of the randomness parameter. As a simple test bed, we demonstrate that our method indeed gives several critical points for the cases of the Ising and Potts models and the bond-percolation thresholds on the random planar lattice. Our method leads to not only such an extension of the duality analyses on the classical statistical mechanics but also a fascinating result associated with optimal error thresholds for a class of quantum error correction code, the surface code on the random planar lattice, which is known as a skillful technique to protect the quantum state.

  1. Method and apparatus for evaluating multilayer objects for imperfections

    NASA Technical Reports Server (NTRS)

    Heyman, Joseph S. (Inventor); Abedin, Nurul (Inventor); Sun, Kuen J. (Inventor)

    1997-01-01

    A multilayer object having multiple layers arranged in a stacking direction is evaluated for imperfections such as voids, delaminations and microcracks. First, an acoustic wave is transmitted into the object in the stacking direction via an appropriate transducer/waveguide combination. The wave propagates through the multilayer object and is received by another transducer/waveguide combination preferably located on the same surface as the transmitting combination. The received acoustic wave is correlated with the presence or absence of imperfections by, e.g., generating pulse echo signals indicative of the received acoustic wave, wherein the successive signals form distinct groups over time. The respective peak amplitudes of each group are sampled and curve fit to an exponential curve, wherein a substantial fit of approximately 80-90% indicates an absence of imperfections and a significant deviation indicates the presence of imperfections. Alternatively, the time interval between distinct groups can be measured, wherein equal intervals indicate the absence of imperfections and unequal intervals indicate the presence of imperfections.

  2. Method and Apparatus for Evaluating Multilayer Objects for Imperfections

    NASA Technical Reports Server (NTRS)

    Heyman, Joseph S. (Inventor); Abedin, Nurul (Inventor); Sun, Kuen J. (Inventor)

    1999-01-01

    A multilayer object having multiple layers arranged in a stacking direction is evaluated for imperfections such as voids, delaminations and microcracks. First. an acoustic wave is transmitted into the object in the stacking direction via an appropriate transducer/waveguide combination. The wave propagates through the multilayer object and is received by another transducer/waveguide combination preferably located on the same surface as the transmitting combination. The received acoustic wave is correlated with the presence or absence of imperfections by, e.g., generating pulse echo signals indicative of the received acoustic wave. wherein the successive signals form distinct groups over time. The respective peak amplitudes of each group are sampled and curve fit to an exponential curve. wherein a substantial fit of approximately 80-90% indicates an absence of imperfections and a significant deviation indicates the presence of imperfections. Alternatively, the time interval between distinct groups can be measured. wherein equal intervals indicate the absence of imperfections and unequal intervals indicate the presence of imperfections.

  3. Accounting for Imperfect Detection in Ecology: A Quantitative Review

    PubMed Central

    Kellner, Kenneth F.; Swihart, Robert K.

    2014-01-01

    Detection in studies of species abundance and distribution is often imperfect. Assuming perfect detection introduces bias into estimation that can weaken inference upon which understanding and policy are based. Despite availability of numerous methods designed to address this assumption, many refereed papers in ecology fail to account for non-detection error. We conducted a quantitative literature review of 537 ecological articles to measure the degree to which studies of different taxa, at various scales, and over time have accounted for imperfect detection. Overall, just 23% of articles accounted for imperfect detection. The probability that an article incorporated imperfect detection increased with time and varied among taxa studied; studies of vertebrates were more likely to incorporate imperfect detection. Among articles that reported detection probability, 70% contained per-survey estimates of detection that were less than 0.5. For articles in which constancy of detection was tested, 86% reported significant variation. We hope that our findings prompt more ecologists to consider carefully the detection process when designing studies and analyzing results, especially for sub-disciplines where incorporation of imperfect detection in study design and analysis so far has been lacking. PMID:25356904

  4. Anisotropic Peak Effect due to Structural Phase Transition in the Vortex Lattice

    NASA Astrophysics Data System (ADS)

    Rosenstein, Baruch; Knigavko, Anton

    1999-07-01

    It is shown that the recently observed new peak effect in YBCO could be explained by the softening of the vortex lattice due to a structural phase transition in the vortex lattice. At this transition square lattice transforms into a distorted hexagonal one. While conventional peak effect is associated with the softening of shear modes (elastic modulus c66 vanishes) at melting, in this case the relevant mode is ``squash'' mode ( c11+c22-2c12 vanishes).

  5. Organic topological insulators in organometallic lattices.

    PubMed

    Wang, Z F; Liu, Zheng; Liu, Feng

    2013-01-01

    Topological insulators are a recently discovered class of materials having insulating bulk electronic states but conducting boundary states distinguished by nontrivial topology. So far, several generations of topological insulators have been theoretically predicted and experimentally confirmed, all based on inorganic materials. Here, based on first-principles calculations, we predict a family of two-dimensional organic topological insulators made of organometallic lattices. Designed by assembling molecular building blocks of triphenyl-metal compounds with strong spin-orbit coupling into a hexagonal lattice, this new classes of organic topological insulators are shown to exhibit nontrivial topological edge states that are robust against significant lattice strain. We envision that organic topological insulators will greatly broaden the scientific and technological impact of topological insulators.

  6. Arbitrary lattice symmetries via block copolymer nanomeshes

    PubMed Central

    Majewski, Pawel W.; Rahman, Atikur; Black, Charles T.; Yager, Kevin G.

    2015-01-01

    Self-assembly of block copolymers is a powerful motif for spontaneously forming well-defined nanostructures over macroscopic areas. Yet, the inherent energy minimization criteria of self-assembly give rise to a limited library of structures; diblock copolymers naturally form spheres on a cubic lattice, hexagonally packed cylinders and alternating lamellae. Here, we demonstrate multicomponent nanomeshes with any desired lattice symmetry. We exploit photothermal annealing to rapidly order and align block copolymer phases over macroscopic areas, combined with conversion of the self-assembled organic phase into inorganic replicas. Repeated photothermal processing independently aligns successive layers, providing full control of the size, symmetry and composition of the nanoscale unit cell. We construct a variety of symmetries, most of which are not natively formed by block copolymers, including squares, rhombuses, rectangles and triangles. In fact, we demonstrate all possible two-dimensional Bravais lattices. Finally, we elucidate the influence of nanostructure on the electrical and optical properties of nanomeshes. PMID:26100566

  7. Lattice Strain Defects in a Ceria Nanolayer

    PubMed Central

    2016-01-01

    An ultrathin two-dimensional CeO2 (ceria) phase on a Cu(110) surface has been fabricated and fully characterized by high-resolution scanning tunneling microscopy, photoelectron spectroscopy, and density functional theory. The atomic lattice structure of the ceria/Cu(110) system is revealed as a hexagonal CeO2(111)-type monolayer separated from the Cu(110) surface by a partly disordered Cu–O intercalated buffer layer. The epitaxial coupling of the two-dimensional ceria overlayer to the Cu(110)-O surface leads to a nanoscopic stripe pattern, which creates defect regions of quasi-periodic lattice distortions. The symmetry and lattice mismatch at the interface is clarified to be responsible for the topographic stripe geometry and the related anisotropic strain defect regions at the ceria surface. This ceria monolayer is in a fully oxidized and thermodynamically stable state. PMID:26988695

  8. Fabrication of colloidal photonic crystal heterostructures free of interface imperfection based on solvent vapor annealing.

    PubMed

    Liu, Xiaomiao; Zhao, Duobiao; Geng, Chong; Zhang, Lijing; Tan, Tianya; Hu, Mingzhe; Yan, Qingfeng

    2014-11-15

    We describe the transformation of a colloidal photonic crystal into a photonic crystal heterostructure. It was achieved by annealing a polystyrene multilayer colloidal photonic crystal partially immersed in water using a solvent vapor. The floating polystyrene colloidal photonic crystal was divided into two parts by the liquid level, which can be manipulated by the addition of ethanol into the water. The top part protruding out of the water experienced a uniform lattice stretching upon exposure to the solvent vapor. The bottom part that stayed immersed in the water remained unaffected due to the protection by the water. The inconsistent behaviors of the two parts resulted in the formation of a colloidal photonic crystal heterostructure. Such a heterostructure was free of interface imperfection since it was a direct descendant of the original colloidal crystal. Meanwhile, optical measurements demonstrated the presence of a wider photonic band gap along the crystallographic [111] direction in these photonic crystal heterostructures compared with the original colloidal photonic crystals.

  9. Recording different geometries of 2D hexagonal photonic crystals by choosing the phase between two-beam interference exposures.

    PubMed

    Menezes, J W; Cescato, L; de Carvalho, E J; Braga, E S

    2006-09-18

    2D hexagonal patterns can be generated by the superimposition of two or three fringe patterns that have been formed by two-wave interference and that have rotations of 60 degrees between them. Superimposing three exposures solves the problem of asymmetry in the cross section of structures, which is caused by double exposure. The resulting structure, however, depends on the phase shift of the third fringe pattern in relation to the previous two. We propose a method for controlling the phase shift, and we demonstrate that three different lattice geometries of hexagonal photonic crystals can be recorded when the phase is chosen.

  10. Expansion of the hexagonal phase-forming region of Lu1-xScxFeO3 by containerless processing.

    PubMed

    Masuno, Atsunobu; Ishimoto, Atsushi; Moriyoshi, Chikako; Kawaji, Hitoshi; Kuroiwa, Yoshihiro; Inoue, Hiroyuki

    2015-10-01

    Hexagonal Lu1-xScxFeO3 (0 ≤ x ≤ 0.8) was directly solidified from an undercooled melt by containerless processing with an aerodynamic levitation furnace. The hexagonal phase-forming region was considerably extended compared to that of the conventional solid-state reaction (x ∼ 0.5). Synchrotron X-ray diffraction measurements revealed that the crystal structure of the hexagonal phase was isomorphous to hexagonal ferroelectric RMnO3 (R = a rare earth ion) with a polar space group of P63cm. As x increased, the a-axis lattice constant decreased linearly, strengthening the antiferromagnetic interaction between the Fe(3+) ions on the a-b plane. Accordingly, the weak ferromagnetic transition temperature increased from 150 K for x = 0 to 175 K for x = 0.7. These transition temperatures were much higher than those of hexagonal Lu1-xScxMnO3. The results indicate that hexagonal Lu1-xScxFeO3 is a suitable alternative magnetic dielectric for use at higher temperatures. PMID:26376708

  11. New schemes for recording electron diffraction patterns of hexagonal and monoclinic crystals

    NASA Astrophysics Data System (ADS)

    Kyazumov, M. G.

    2014-07-01

    Some new schemes for recording electron diffraction patterns of hexagonal crystals rotating around the axes lying in the ( hk0) plane of the reciprocal lattice and monoclinic crystals rotating around the a and b axes of the direct lattice and the a* axis of the reciprocal lattice have been developed. Formulas for interpreting electron diffraction patterns are reported. The electron diffraction patterns obtained based on these schemes were used to solve the 2H and 3R polytypes of CdInGaS4 crystals and the 3R polytype of Zn1.5In3Se6 crystal with the parameters a = 4.046 and c = 59.292 Å, sp. gr. R3 m.

  12. Imperfection Insensitivity Analyses of Advanced Composite Tow-Steered Shells

    NASA Technical Reports Server (NTRS)

    Wu, K. Chauncey; Farrokh, Babak; Stanford, Bret K.; Weaver, Paul M.

    2016-01-01

    Two advanced composite tow-steered shells, one with tow overlaps and another without overlaps, were previously designed, fabricated and tested in end compression, both without cutouts, and with small and large cutouts. In each case, good agreement was observed between experimental buckling loads and supporting linear bifurcation buckling analyses. However, previous buckling tests and analyses have shown historically poor correlation, perhaps due to the presence of geometric imperfections that serve as failure initiators. For the tow-steered shells, their circumferential variation in axial stiffness may have suppressed this sensitivity to imperfections, leading to the agreement noted between tests and analyses. To investigate this further, a numerical investigation was performed in this study using geometric imperfections measured from both shells. Finite element models of both shells were analyzed first without, and then, with measured imperfections that were then, superposed in different orientations around the shell longitudinal axis. Small variations in both the axial prebuckling stiffness and global buckling load were observed for the range of imperfections studied here, which suggests that the tow steering, and resulting circumferentially varying axial stiffness, may result in the test-analysis correlation observed for these shells.

  13. Micellar hexagonal phases in lyotropic liquid crystals

    NASA Astrophysics Data System (ADS)

    Amaral, L. Q.; Gulik, A.; Itri, R.; Mariani, P.

    1992-09-01

    The hexagonal cell parameter a of the system sodium dodecyl lauryl sulfate and water as a function of volume concentration cv in phase Hα shows the functional behavior expected for micelles of finite length: a~c-1/3v. The interpretation of x-ray data based on finite micelles leads to an alternative description of the hexagonal phase Hα: spherocylindrical micelles of constant radius with length that may grow along the range of the Hα phase. Results are compared with recent statistical-mechanical calculations for the isotropic I-Hα transition. The absence of diffraction in the direction perpendicular to the hexagonal plane is ascribed to polydispersity of micellar length, which also is a necessary condition for the occurrence of direct I-Hα transitions.

  14. Formation of hexagonal and cubic ice during low-temperature growth.

    PubMed

    Thürmer, Konrad; Nie, Shu

    2013-07-16

    From our daily life we are familiar with hexagonal ice, but at very low temperature ice can exist in a different structure--that of cubic ice. Seeking to unravel the enigmatic relationship between these two low-pressure phases, we examined their formation on a Pt(111) substrate at low temperatures with scanning tunneling microscopy and atomic force microscopy. After completion of the one-molecule-thick wetting layer, 3D clusters of hexagonal ice grow via layer nucleation. The coalescence of these clusters creates a rich scenario of domain-boundary and screw-dislocation formation. We discovered that during subsequent growth, domain boundaries are replaced by growth spirals around screw dislocations, and that the nature of these spirals determines whether ice adopts the cubic or the hexagonal structure. Initially, most of these spirals are single, i.e., they host a screw dislocation with a Burgers vector connecting neighboring molecular planes, and produce cubic ice. Films thicker than ~20 nm, however, are dominated by double spirals. Their abundance is surprising because they require a Burgers vector spanning two molecular-layer spacings, distorting the crystal lattice to a larger extent. We propose that these double spirals grow at the expense of the initially more common single spirals for an energetic reason: they produce hexagonal ice.

  15. NQR Line Broadening Due to Crystal Lattice Imperfections and Its Relationship to Shock Sensitivity

    NASA Astrophysics Data System (ADS)

    Caulder, S. M.; Buess, M. L.; Garroway, A. N.; Miller, P. J.

    2004-07-01

    The hydrodynamic hot spot model is used to explain the difference between shock sensitive and shock insensitive explosives. Among the major factors that influence the shock sensitivity of energetic compounds are the quality and particle size of the energetic crystals used to formulate the cast plastic bonded explosive. As do all energetic compounds, RDX and HMX exhibit internal crystal defects the magnitude and type of which depend on the manufacturing process used to synthesize and re-crystallize the energetic compound. Nuclear Quadrupole Resonance (NQR) spectroscopy was used to determine the crystal quality of RDX, HMX and CL-20 obtained from various manufacturers. The NQR experimental results are discussed. Cast plastic bonded explosives were made using the RDX and HMX obtained from the various manufacturers and subsequently subjected to the NOL large-scale gap test (LSGT). The results of the LSGT are discussed and correlated with the NQR results. A relationship between the crystal defect density and shock initiation pressure of the plastic bonded explosive is developed and discussed.

  16. Thermally induced microstrain broadening in hexagonal zinc

    SciTech Connect

    Lawson, Andrew C; Valdez, James A; Roberts, Joyce A; Leineweber, Andreas; Mittemeijer, E J; Kreher, W

    2008-01-01

    Neutron powder-diffraction experiments on polycrystalline hexagonal zinc show considerable temperature-dependent line broadening. Whereas as-received zinc at 300 K exhibits narrow reflections, during cooling to a minimum temperature of 10K considerable line-broadening appears, which largely disappears again during reheating. The line broadening may be ascribed to microstrains induced by thermal microstresses due to the anisotropy of the thermal expansion (shrinkage) of hexagonal zinc. Differences between the thermal microstrains and theoretical predictions considering elastic deformation of the grains can be explained by plastic deformation and surface effects.

  17. Topological Properties of Electrons in Honeycomb Lattice with Detuned Hopping Energy

    NASA Astrophysics Data System (ADS)

    Wu, Long-Hua; Hu, Xiao

    2016-04-01

    Honeycomb lattice can support electronic states exhibiting Dirac energy dispersion, with graphene as the icon. We propose to derive nontrivial topology by grouping six neighboring sites of honeycomb lattice into hexagons and enhancing the inter-hexagon hopping energies over the intra-hexagon ones. We reveal that this manipulation opens a gap in the energy dispersion and drives the system into a topological state. The nontrivial topology is characterized by the index associated with a pseudo time-reversal symmetry emerging from the C6 symmetry of the hopping texture, where the angular momentum of orbitals accommodated on the hexagonal “artificial atoms” behaves as the pseudospin. The size of topological gap is proportional to the hopping-energy difference, which can be larger than typical spin-orbit couplings by orders of magnitude and potentially renders topological electronic transports available at high temperatures.

  18. Topological Properties of Electrons in Honeycomb Lattice with Detuned Hopping Energy

    PubMed Central

    Wu, Long-Hua; Hu, Xiao

    2016-01-01

    Honeycomb lattice can support electronic states exhibiting Dirac energy dispersion, with graphene as the icon. We propose to derive nontrivial topology by grouping six neighboring sites of honeycomb lattice into hexagons and enhancing the inter-hexagon hopping energies over the intra-hexagon ones. We reveal that this manipulation opens a gap in the energy dispersion and drives the system into a topological state. The nontrivial topology is characterized by the index associated with a pseudo time-reversal symmetry emerging from the C6 symmetry of the hopping texture, where the angular momentum of orbitals accommodated on the hexagonal “artificial atoms” behaves as the pseudospin. The size of topological gap is proportional to the hopping-energy difference, which can be larger than typical spin-orbit couplings by orders of magnitude and potentially renders topological electronic transports available at high temperatures. PMID:27076196

  19. Remote preparation of W states from imperfect bipartite sources

    NASA Astrophysics Data System (ADS)

    Moreno, M. G. M.; Cunha, Márcio M.; Parisio, Fernando

    2016-09-01

    Several proposals to produce tripartite W-type entanglement are probabilistic even if no imperfections are considered in the processes. We provide a deterministic way to remotely create W states out of an EPR source. The proposal is made viable through measurements (which can be demolitive) in an appropriate three-qubit basis. The protocol becomes probabilistic only when source flaws are considered. It turns out that, even in this situation, it is robust against imperfections in two senses: (i) It is possible, after postselection, to create a pure ensemble of W states out of an EPR source containing a systematic error; (ii) If no postselection is done, the resulting mixed state has a fidelity, with respect to a pure |Wrangle , which is higher than that of the imperfect source in comparison with an ideal EPR source. This simultaneously amounts to entanglement concentration and lifting.

  20. Multiwave diffraction, phase problem, and extinction in imperfect crystals

    SciTech Connect

    Dmitrienko, V. E.

    2009-11-15

    The extinction effects of multiwave diffraction in imperfect crystals have been investigated. It is shown that the presence of extinction in the direct diffraction channel may lead to errors in determining the relative phases of structural amplitudes by the multiwave diffraction method (i.e., by interference with indirect excitation). The reason is that the dependence of the reflection intensity on the structural amplitude in imperfect crystals is generally nonquadratic (as in the kinematic theory), nonlinear (as in the dynamic theory), and is not even somewhat intermediate. These effects open up new possibilities for using multiwave diffraction for the direct study of the extinction and, therefore, quantitatively characterize the imperfection of crystal structures with known values and phases of structural amplitudes.

  1. Evidence of an inverted hexagonal phase in self-assembled phospholipid-DNA-metal complexes

    NASA Astrophysics Data System (ADS)

    Francescangeli, O.; Pisani, M.; Stanic, V.; Bruni, P.; Weiss, T. M.

    2004-08-01

    We report the first observation of an inverted hexagonal phase of phospholipid-DNA-metal complexes. These ternary complexes are formed in a self-assembled manner when water solutions of neutral lipid dioleoylphosphatidylethanolamine (DOPE), DNA and divalent metal cations (Me2+; Me=Fe, Co, Mg, Mn) are mixed, which represents a striking example of supramolecular chemistry. The structure, derived from synchrotron X-ray diffraction, consists of cylindrical DNA strands coated by neutral lipid monolayers and arranged on a two-dimensional hexagonal lattice (HIIc). Besides the fundamental aspects, DOPE-DNA-Me2+ complexes may be of great interest as efficient nonviral delivery systems in gene therapy applications because of the low inherent cytotoxicity and the potential high transfection efficiency.

  2. Hexagonal Boron Nitride Tunnel Barriers Grown on Graphite by High Temperature Molecular Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Cho, Yong-Jin; Summerfield, Alex; Davies, Andrew; Cheng, Tin S.; Smith, Emily F.; Mellor, Christopher J.; Khlobystov, Andrei N.; Foxon, C. Thomas; Eaves, Laurence; Beton, Peter H.; Novikov, Sergei V.

    2016-09-01

    We demonstrate direct epitaxial growth of high-quality hexagonal boron nitride (hBN) layers on graphite using high-temperature plasma-assisted molecular beam epitaxy. Atomic force microscopy reveals mono- and few-layer island growth, while conducting atomic force microscopy shows that the grown hBN has a resistance which increases exponentially with the number of layers, and has electrical properties comparable to exfoliated hBN. X-ray photoelectron spectroscopy, Raman microscopy and spectroscopic ellipsometry measurements on hBN confirm the formation of sp2-bonded hBN and a band gap of 5.9 ± 0.1 eV with no chemical intermixing with graphite. We also observe hexagonal moiré patterns with a period of 15 nm, consistent with the alignment of the hBN lattice and the graphite substrate.

  3. Hexagonal Boron Nitride Tunnel Barriers Grown on Graphite by High Temperature Molecular Beam Epitaxy

    PubMed Central

    Cho, Yong-Jin; Summerfield, Alex; Davies, Andrew; Cheng, Tin S.; Smith, Emily F.; Mellor, Christopher J.; Khlobystov, Andrei N.; Foxon, C. Thomas; Eaves, Laurence; Beton, Peter H.; Novikov, Sergei V.

    2016-01-01

    We demonstrate direct epitaxial growth of high-quality hexagonal boron nitride (hBN) layers on graphite using high-temperature plasma-assisted molecular beam epitaxy. Atomic force microscopy reveals mono- and few-layer island growth, while conducting atomic force microscopy shows that the grown hBN has a resistance which increases exponentially with the number of layers, and has electrical properties comparable to exfoliated hBN. X-ray photoelectron spectroscopy, Raman microscopy and spectroscopic ellipsometry measurements on hBN confirm the formation of sp2-bonded hBN and a band gap of 5.9 ± 0.1 eV with no chemical intermixing with graphite. We also observe hexagonal moiré patterns with a period of 15 nm, consistent with the alignment of the hBN lattice and the graphite substrate. PMID:27681943

  4. Intrinsic ferromagnetism in hexagonal boron nitride nanosheets

    SciTech Connect

    Si, M. S.; Gao, Daqiang E-mail: xueds@lzu.edu.cn; Yang, Dezheng; Peng, Yong; Zhang, Z. Y.; Xue, Desheng E-mail: xueds@lzu.edu.cn; Liu, Yushen; Deng, Xiaohui; Zhang, G. P.

    2014-05-28

    Understanding the mechanism of ferromagnetism in hexagonal boron nitride nanosheets, which possess only s and p electrons in comparison with normal ferromagnets based on localized d or f electrons, is a current challenge. In this work, we report an experimental finding that the ferromagnetic coupling is an intrinsic property of hexagonal boron nitride nanosheets, which has never been reported before. Moreover, we further confirm it from ab initio calculations. We show that the measured ferromagnetism should be attributed to the localized π states at edges, where the electron-electron interaction plays the role in this ferromagnetic ordering. More importantly, we demonstrate such edge-induced ferromagnetism causes a high Curie temperature well above room temperature. Our systematical work, including experimental measurements and theoretical confirmation, proves that such unusual room temperature ferromagnetism in hexagonal boron nitride nanosheets is edge-dependent, similar to widely reported graphene-based materials. It is believed that this work will open new perspectives for hexagonal boron nitride spintronic devices.

  5. Hexagonal and Pentagonal Fractal Multiband Antennas

    NASA Technical Reports Server (NTRS)

    Tang, Philip W.; Wahid, Parveen

    2005-01-01

    Multiband dipole antennas based on hexagonal and pentagonal fractals have been analyzed by computational simulations and functionally demonstrated in experiments on prototypes. These antennas are capable of multiband or wide-band operation because they are subdivided into progressively smaller substructures that resonate at progressively higher frequencies by virtue of their smaller dimensions. The novelty of the present antennas lies in their specific hexagonal and pentagonal fractal configurations and the resonant frequencies associated with them. These antennas are potentially applicable to a variety of multiband and wide-band commercial wireless-communication products operating at different frequencies, including personal digital assistants, cellular telephones, pagers, satellite radios, Global Positioning System receivers, and products that combine two or more of the aforementioned functions. Perhaps the best-known prior multiband antenna based on fractal geometry is the Sierpinski triangle antenna (also known as the Sierpinski gasket), shown in the top part of the figure. In this antenna, the scale length at each iteration of the fractal is half the scale length of the preceding iteration, yielding successive resonant frequencies related by a ratio of about 2. The middle and bottom parts of the figure depict the first three iterations of the hexagonal and pentagonal fractals along with typical dipole-antenna configuration based on the second iteration. Successive resonant frequencies of the hexagonal fractal antenna have been found to be related by a ratio of about 3, and those of the pentagonal fractal antenna by a ratio of about 2.59.

  6. Evaluation Strategies in Financial Education: Evaluation with Imperfect Instruments

    ERIC Educational Resources Information Center

    Robinson, Lauren; Dudensing, Rebekka; Granovsky, Nancy L.

    2016-01-01

    Program evaluation often suffers due to time constraints, imperfect instruments, incomplete data, and the need to report standardized metrics. This article about the evaluation process for the Wi$eUp financial education program showcases the difficulties inherent in evaluation and suggests best practices for assessing program effectiveness. We…

  7. Modelling occurrence and abundance of species when detection is imperfect

    USGS Publications Warehouse

    Royle, J. Andrew; Nichols, J.D.; Kery, M.

    2005-01-01

    Relationships between species abundance and occupancy are of considerable interest in metapopulation biology and in macroecology. Such relationships may be described concisely using probability models that characterize variation in abundance of a species. However, estimation of the parameters of these models in most ecological problems is impaired by imperfect detection. When organisms are detected imperfectly, observed counts are biased estimates of true abundance, and this induces bias in stated occupancy or occurrence probability. In this paper we consider a class of models that enable estimation of abundance/occupancy relationships from counts of organisms that result from surveys in which detection is imperfect. Under such models, parameter estimation and inference are based on conventional likelihood methods. We provide an application of these models to geographically extensive breeding bird survey data in which alternative models of abundance are considered that include factors that influence variation in abundance and detectability. Using these models, we produce estimates of abundance and occupancy maps that honor important sources of spatial variation in avian abundance and provide clearly interpretable characterizations of abundance and occupancy adjusted for imperfect detection.

  8. Complex magnetism of Ho-Dy-Y-Gd-Tb hexagonal high-entropy alloy

    NASA Astrophysics Data System (ADS)

    Lužnik, J.; Koželj, P.; Vrtnik, S.; Jelen, A.; Jagličić, Z.; Meden, A.; Feuerbacher, M.; Dolinšek, J.

    2015-12-01

    Rare earth based equimolar Ho-Dy-Y-Gd-Tb hexagonal high-entropy alloy (HEA) is a prototype of an ideal HEA, stabilized by the entropy of mixing at any temperature with random mixing of elements on the hexagonal close-packed lattice. In order to determine intrinsic properties of an ideal HEA characterized by the enormous chemical (substitutional) disorder on a weakly distorted simple lattice, we have performed measurements of its magnetic and electrical response and the specific heat. The results show that the Ho-Dy-Y-Gd-Tb hexagonal HEA exhibits a rich and complex magnetic field-temperature (H ,T ) phase diagram, as a result of competition among the periodic potential arising from the electronic band structure that favors periodic magnetic ordering, the disorder-induced local random potential that favors spin glass-type spin freezing in random directions, the Zeeman interaction with the external field that favors spin alignment along the field direction, and the thermal agitation that opposes any spin ordering. Three characteristic temperature regions were identified in the (H ,T ) phase diagram between room temperature and 2 K. Within the upper temperature region I (roughly between 300 and 75 K), thermal fluctuations average out the effect of local random pinning potential and the spin system behaves as a pure system of compositionally averaged spins, undergoing a thermodynamic phase transition to a long-range ordered helical antiferromagnetic state at the Néel temperature TN=180 K that is a compositional average of the Néel temperatures of pure Tb, Dy, and Ho metals. Region II (between 75 and 20 K) is an intermediate region where the long-range periodic spin order "melts" and the random ordering of spins in the local random potential starts to prevail. Within the low-temperature region III (below 20 K), the spins gradually freeze in a spin glass configuration. The spin glass phase appears to be specific to the rare earths containing hexagonal HEAs, sharing

  9. Two-dimensional hexagonal smectic structure formed by topological defects.

    PubMed

    Dolganov, P V; Shuravin, N S; Fukuda, Atsuo

    2016-03-01

    A two-dimensional hexagonal smectic structure formed by point topological defects and intersecting defect walls was discovered. This unique structure was predicted theoretically about 30 years ago but not observed. For a long time the hexagonal structure was a challenge for experimentalists. A different type of self-organization in smectic films was found and used to form the hexagonal structure. Methods applied for building the hexagonal phase can be used for the formation of complicated liquid-crystal structures.

  10. Lysozyme entrapped within reverse hexagonal mesophases: physical properties and structural behavior.

    PubMed

    Mishraki, Tehila; Libster, Dima; Aserin, Abraham; Garti, Nissim

    2010-01-01

    A model protein (lysozyme) was incorporated into monoolein-based reverse hexagonal (H(II)) mesophase and its structure effects were characterized by small angle X-ray scattering, ATR-FTIR spectroscopy, and rheological measurements. Modifications in molecular organization of the H(II) mesophases as well as the conformational stability of lysozyme (LSZ) as a function of pH and denaturating agent (urea) were clarified. Up to 3 wt.% LSZ can be solubilized into the H(II). The vibration FTIR analysis revealed that LSZ interacted with OH groups of glycerol monooleate (GMO) in the outer interface region, resulting in strong hydrogen bonding between the surfactant and its environment. Simultaneously, the decrease in the hydrogen-bonded carbonyl population of GMO was monitored, indicating dehydration of the monoolein carbonyls. These molecular interactions yielded a minor decrease in the lattice parameter of the systems, as detected by small angle X-ray scattering. Furthermore, LSZ was crystallized within the medium of the hexagonal structures in a single crystal form. The alpha-helix conformation of lysozyme was stabilized at high pH conditions, demonstrating greater helical structure content, compared to D(2)O solution. Moreover, the hexagonal phase decreased the unfavorable alpha-->beta transition in lysozyme, thereby increasing the stability of the protein under chemical denaturation. The rheological behavior of the hexagonal structures varied with the incorporation of LSZ, reflected in stronger elastic properties and pronounced solid-like response of the systems. The hydrogen bonding enhancement in the interface region of the structures was most likely responsible for these phenomena. The results of this study provided valuable information on the use of hexagonal systems as a carrier for incorporation and stabilization of proteins for various applications.

  11. Nodal equivalence theory for hexagonal geometry, thermal reactor analysis

    SciTech Connect

    Zika, M.; Downar, T. )

    1992-01-01

    An important aspect of advanced nodal methods is the determination of equivalent few-group parameters for the relatively large homogenized regions used in the nodal flux solution. The theoretical foundation for light water reactor (LWR) assembly homogenization methods has been clearly established, and during the last several years, its successes have secured its position in the stable of dependable LWR analysis methods. Groupwise discontinuity factors that correct for assembly homogenization errors are routinely generated along with the group constants during lattice physics analysis. During the last several years, there has been interest in applying equivalence theory to other reactor types and other geometries. A notable effort has been the work at Argonne National Laboratory to incorporate nodal equivalence theory (NET) for hexagonal lattices into the nodal diffusion option of the DIF3D code. This work was originally intended to improve the neutronics methods used for the analysis of the Experimental Breeder Reactor II (EBR-II), and Ref. 4 discusses the success of that application. More recently, however, attempts were made to apply NET to advanced, thermal reactor designs such as the modular high-temperature gas reactor (MHTGR) and the new production heavy water reactor (NPR/HWR). The same methods that were successful for EBR-II have encountered problems for these reactors. Our preliminary analysis indicates that the sharp global flux gradients in these cores requires large discontinuity factors (greater than 4 or 5) to reproduce the reference solution. This disrupts the convergence of the iterative methods used to solve for the node-wise flux moments and partial currents. Several attempts to remedy the problem have been made over the last few years, including bounding the discontinuity factors and providing improved initial guesses for the flux solution, but nothing has been satisfactory.

  12. Graphene-hexagonal boron nitride resonant tunneling diodes as high-frequency oscillators

    SciTech Connect

    Gaskell, J.; Fromhold, T. M.; Greenaway, M. T.; Eaves, L.; Novoselov, K. S.; Mishchenko, A.; Geim, A. K.

    2015-09-07

    We assess the potential of two-terminal graphene-hexagonal boron nitride-graphene resonant tunneling diodes as high-frequency oscillators, using self-consistent quantum transport and electrostatic simulations to determine the time-dependent response of the diodes in a resonant circuit. We quantify how the frequency and power of the current oscillations depend on the diode and circuit parameters including the doping of the graphene electrodes, device geometry, alignment of the graphene lattices, and the circuit impedances. Our results indicate that current oscillations with frequencies of up to several hundred GHz should be achievable.

  13. Graphene-hexagonal boron nitride resonant tunneling diodes as high-frequency oscillators

    NASA Astrophysics Data System (ADS)

    Gaskell, J.; Eaves, L.; Novoselov, K. S.; Mishchenko, A.; Geim, A. K.; Fromhold, T. M.; Greenaway, M. T.

    2015-09-01

    We assess the potential of two-terminal graphene-hexagonal boron nitride-graphene resonant tunneling diodes as high-frequency oscillators, using self-consistent quantum transport and electrostatic simulations to determine the time-dependent response of the diodes in a resonant circuit. We quantify how the frequency and power of the current oscillations depend on the diode and circuit parameters including the doping of the graphene electrodes, device geometry, alignment of the graphene lattices, and the circuit impedances. Our results indicate that current oscillations with frequencies of up to several hundred GHz should be achievable.

  14. On vortex shedding from a hexagonal cylinder

    NASA Astrophysics Data System (ADS)

    Khaledi, Hatef A.; Andersson, Helge I.

    2011-10-01

    The unsteady wake behind a hexagonal cylinder in cross-flow is investigated numerically. The time-dependent three-dimensional Navier-Stokes equations are solved for three different Reynolds numbers Re and for two different cylinder orientations. The topology of the vortex shedding depends on the orientation and the Strouhal frequency is generally higher in the wake of a face-oriented cylinder than behind a corner-oriented cylinder. For both orientations a higher Strouhal number St is observed when Re is increased from 100 to 500 whereas St is unaffected by a further increase up to Re=1000. The distinct variation of St with the orientation of the hexagonal cylinder relative to the oncoming flow is opposite of earlier findings for square cylinder wakes which exhibited a higher St with corner orientation than with face orientation.

  15. Triangular lattice of carbon nanotube arrays for negative index of refraction and subwavelength lensing effect

    SciTech Connect

    Wang, Y.; Wang, X.; Rybczynski, J.; Wang, D.Z.; Kempa, K.; Ren, Z.F.

    2005-04-11

    Self-assembly of polystyrene microspheres has been utilized in a two-step masking technique to prepare triangular lattices of catalytic nanodots at low cost. Subsequent triangular lattices of aligned carbon nanotubes on a silicon substrate are achieved by plasma-enhanced chemical vapor deposition. Nickel is used both in the nanodots and in the secondary mask. The triangular lattices of carbon nanotube arrays as two-dimensional photonic crystals show higher geometrical symmetry than the hexagonal lattices previously reported, enabling broader applications including negative index of refraction and subwavelength lensing effect.

  16. NMR-based diffusion lattice imaging

    NASA Astrophysics Data System (ADS)

    Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm

    2016-03-01

    Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.

  17. Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal

    SciTech Connect

    Hart, W.E.; Istrail, S.

    1996-08-09

    This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

  18. Control of normal chirality at hexagonal interfaces

    SciTech Connect

    Haraldsen, Jason T; Fishman, Randy Scott

    2010-01-01

    We study the net chirality created by the Dzyaloshinkii-Moriya interaction (DMI) at the boundary between hexagonal layers of magnetic and non-magnetic materials. It is shown that another mechanism besides elastic torsion is required to understand the change in chirality observed in Dy/Y multilayers during field-cooling. The paper shows that due to the overlap between magnetic and non-magnetic atoms, interfacial steps may produce a DMI normal to the interface in magnetic heterostructures.

  19. Exfoliation of Hexagonal Boron Nitride via Ferric Chloride Intercalation

    NASA Technical Reports Server (NTRS)

    Hung, Ching-cheh; Hurst, Janet; Santiago, Diana; Rogers, Richard B.

    2014-01-01

    Sodium fluoride (NaF) was used as an activation agent to successfully intercalate ferric chloride (FeCl3) into hexagonal boron nitride (hBN). This reaction caused the hBN mass to increase by approx.100 percent, the lattice parameter c to decrease from 6.6585 to between 6.6565 and 6.6569 ?, the x-ray diffraction (XRD) (002) peak to widen from 0.01deg to 0.05deg of the full width half maximum value, the Fourier transform infrared (FTIR) spectrum's broad band (1277/cm peak) to change shape, and new FTIR bands to emerge at 3700 to 2700 and 1600/cm. This indicates hBN's structural and chemical properties are significantly changed. The intercalated product was hygroscopic and interacted with moisture in the air to cause further structural and chemical changes (from XRD and FTIR). During a 24-h hold at room temperature in air with 100 percent relative humidity, the mass increased another 141 percent. The intercalated product, hydrated or not, can be heated to 750 C in air to cause exfoliation. Exfoliation becomes significant after two intercalation-air heating cycles, when 20-nm nanosheets are commonly found. Structural and chemical changes indicated by XRD and FTIR data were nearly reversed after the product was placed in hydrochloric acid (HCl), resulting in purified, exfoliated, thin hBN products.

  20. Layered graphene structure of a hexagonal carbon

    NASA Astrophysics Data System (ADS)

    Zhang, Bin

    2013-06-01

    Experiments show that there is a novel hexagonal carbon polymorph restricted to the space group of P-62c, but the detailed atomic structure is not determined. Here we set carbon atoms occupying P-62c 4f or P-62c 2c and 2d Wyckoff positions, and calculate the total energy of the different cell structures changing the internal parameter by first-principles calculations, which demonstrates that the stable structures in energy (at local minima) are hexagonal carbon (P-62c 2c and 2d) and hexagonal diamond (P-62c 4f, z=1/16). The calculated bulk modulus 437±16 GPa and interlayer distance 2.062 Å of the layered graphene structure P-62c 2c and 2d are in good agreement with those of the proposed new carbon, which indicates that P-62c 2c and 2d is a possible precursor or intermediate hard phase during the structural transformation of carbon.

  1. Thermodynamic properties of the magnetized Coulomb crystal lattices

    NASA Astrophysics Data System (ADS)

    Kozhberov, A. A.

    2016-08-01

    It is thought that Coulomb crystals of ions with hexagonal close-packed lattice may form in the crust of strongly-magnetized neutron stars (magnetars). In this work we are trying to verify this prediction assuming that the direction of the magnetic field corresponds to the minimum of the zero-point energy. We also continue a detailed study of vibration modes and thermodynamic properties of magnetized Coulomb crystals in a wide range of temperatures and magnetic fields. It is demonstrated that the total Helmholtz free energy of the body-centered cubic Coulomb crystal is always lower than that of the Coulomb crystal with hexagonal close-packed or face-centered cubic lattice, which casts doubt on the hypothesis above.

  2. Monoclinic sphere packings. I. Invariant, univariant and bivariant lattice complexes.

    PubMed

    Sowa, Heidrun; Fischer, Werner

    2016-05-01

    All homogeneous sphere packings were derived that refer to the two invariant, the four univariant and the three bivariant lattice complexes belonging to the monoclinic crystal system. In total, sphere packings of 29 types have been found. Only for five types is the maximal inherent symmetry of their sphere packings monoclinic whereas the inherent symmetry is orthorhombic for nine types, tetragonal for five types, hexagonal for six types and cubic for four types. PMID:27126112

  3. What is an `ideally imperfect' crystal? Is kinematical theory appropriate?

    PubMed

    Fewster, Paul F

    2016-01-01

    Most materials are crystalline because atoms and molecules tend to form ordered arrangements, and since the interatomic distances are comparable with the wavelength of X-rays, their interaction creates diffraction patterns. The intensity in these patterns changes with crystal quality. Perfect crystals, e.g. semiconductors, fit well to dynamical theory, whereas crystals that reveal the stereochemistry of complex biological molecules, the structure of organic and inorganic molecules and powders are required to be fragmented (termed `ideally imperfect') to justify the use of the simpler kinematical theory. New experimental results of perfect and imperfect crystals are interpreted with a fundamental description of diffraction, which does not need fragmented crystals but just ubiquitous defects. The distribution of the intensity is modified and can influence the interpretation of the patterns. PMID:26697866

  4. Distribution of radiative crystal imperfections through a silicon ingot

    NASA Astrophysics Data System (ADS)

    Flo̸, A.; Burud, I.; Kvaal, K.; So̸ndenå, R.; Olsen, E.

    2013-11-01

    Crystal imperfections limit the efficiency of multicrystalline silicon solar cells. Recombination through traps is more prominent in areas with high density of crystal imperfections. A method to visualize the distribution of radiative emission from Shockley Read Hall recombination in silicon is demonstrated. We use hyperspectral photoluminescence, a fast non-destructive method, to image radiatively active recombination processes on a set of 50 wafers through a silicon block. The defect related emission lines D1 and D2 may be detected together or alone. The D3 and D4 seem to be correlated if we assume that an emission at the similar energy as D3 (VID3) is caused by a separate mechanism. The content of interstitial iron (Fei) correlates with D4. This method yields a spectral map of the inter band gap transitions, which opens up for a new way to characterize mechanisms related to loss of efficiency for solar cells processed from the block.

  5. Evidences of global bifurcations of an imperfect circular plate

    NASA Astrophysics Data System (ADS)

    Yeo, M. H.; Lee, W. K.

    2006-05-01

    The global bifurcations in modal interactions of an imperfect circular plate with one-to-one internal resonance are investigated. The case of the third-order subharmonic resonance, in which an excitation frequency is near triple natural frequencies, is considered. The equations governing nonlinear oscillations of an imperfect circular plate are reduced to a system of non-autonomous ordinary differential equations via Galerkin's procedure. The method of multiple scales is used to obtain a system of autonomous ordinary differential equations, and then Kovačič and Wiggins' method is used to investigate the global dynamics of the plate. Having found a sufficient condition under which Silnikov-type homoclinic orbit can exist, we failed to observe any numerical evidences of global bifurcation.

  6. Noncontacting thermoelectric detection of material imperfections in metals

    SciTech Connect

    Peter B. Nagy; Adnan H. Nayfeh; Waseem I. Faidi; Hector Carreon; Balachander Lakshminaraya; Feng Yu; Bassam Abu-Nabah

    2005-06-17

    This project was aimed at developing a new noncontacting thermoelectric method for nondestructive detection of material imperfections in metals. The method is based on magnetic sensing of local thermoelectric currents around imperfections when a temperature gradient is established throughout a conducting specimen by external heating and cooling. The surrounding intact material serves as the reference electrode therefore the detection sensitivity could be very high if a sufficiently sensitive magnetometer is used in the measurements. This self-referencing, noncontacting, nondestructive inspection technique offers the following distinct advantages over conventional methods: high sensitivity to subtle variations in material properties, unique insensitivity to the size, shape, and other geometrical features of the specimen, noncontacting nature with a substantial stand-off distance, and the ability to probe relatively deep into the material. The potential applications of this method cover a very wide range from detection metallic inclusions and segregations, inhomogeneities, and tight cracks to characterization of hardening, embrittlement, fatigue, texture, and residual stresses.

  7. Stability, vibration and passive damping of partially restrained imperfect columns

    NASA Technical Reports Server (NTRS)

    Razzaq, Z.; Voland, R. T.; Bush, H. G.; Mikulas, M. M., Jr.

    1983-01-01

    A theoretical and experimental study of slender tubular columns for possible use in space structures is conducted in the presence of partial rotational end restraints. Explicit formulas are derived for computing the buckling load and the lowest natural frequency of perfectly straight uniform elastic members with rotational end restraints possessing linear moment-rotation characteristics. An exact solution in the form of a transcendental equation, and a numerical solution using second-order finite-differences are also presented. The presence of an initial imperfection is also incorporated into the numerical procedure. Vibration tests are conducted on an imperfect tubular steel member in the absence of an axial load. A damping concept consisting of a string-mass assembly is explored. Three passive damping configurations involving combinations of three lead shots were investigated. The three lead shot configurations provided considerably greater damping than the single lead shot.

  8. Parametric Multi-Level Tiling of Imperfectly Nested Loops

    SciTech Connect

    Hartono, Albert; Baskaran, Muthu M.; Bastoul, Cedric; Cohen, Albert; Krishnamoorthy, Sriram; Norris, Boyana; Ramanujam, J.; Sadayappan, Ponnuswamy

    2009-05-18

    Tiling is a critical loop transformation for generating high-performance code on modern architectures. Efficient generation of multilevel tiled code is essential to exploit several levels of parallelism and/or to maximize data reuse in deep memory hierarchies. Tiled loops with parameterized tile sizes (not compile time constants) facilitate runtime feedback and dynamic optimizations used in iterative compilation and automatic tuning. The existing parametric multilevel tiling approach has focused on transformation for perfectly nested loops, where all assignment statements are contained inside the innermost loop of a loop nest. Previous solutions to tiling for imperfect loop nests are limited to the case where tile sizes are fixed. In this paper, we present an approach to parameterized multilevel tiling for imperfectly nested loops. Our tiling algorithm generates loops that iterate over full rectangular tiles that are amenable for potential compiler optimizations such as register tiling. Experimental results using a number of computational benchmarks demonstrate the effectiveness of our tiling approach.

  9. Effects of instrument imperfections on quantitative scanning transmission electron microscopy.

    PubMed

    Krause, Florian F; Schowalter, Marco; Grieb, Tim; Müller-Caspary, Knut; Mehrtens, Thorsten; Rosenauer, Andreas

    2016-02-01

    Several instrumental imperfections of transmission electron microscopes are characterized and their effects on the results of quantitative scanning electron microscopy (STEM) are investigated and quantified using simulations. Methods to either avoid influences of these imperfections during acquisition or to include them in reference calculations are proposed. Particularly, distortions inflicted on the diffraction pattern by an image-aberration corrector can cause severe errors of more than 20% if not accounted for. A procedure for their measurement is proposed here. Furthermore, afterglow phenomena and nonlinear behavior of the detector itself can lead to incorrect normalization of measured intensities. Single electrons accidentally impinging on the detector are another source of error but can also be exploited for threshold-less calibration of STEM images to absolute dose, incident beam current determination and measurement of the detector sensitivity.

  10. Coarse grain modeling of imperfect networks and gels

    NASA Astrophysics Data System (ADS)

    Sliozberg, Yelena; Chantawansri, Tanya; Sirk, Timothy; Andzelm, Jan; Mrozek, Randy; Lenhart, Joseph

    2013-03-01

    There is a strong interest in chemically and physically cross-linked entangled polymer networks and gels due to their tailorability in respect to both mechanical and structural properties. Even so, these properties are sensitive to imperfections in the polymer networks, such as dangling ends and loops. Computational modeling is a viable tool to understand the effects of these imperfections on properties in a controlled environment, in which specific defects can be systematically created and varied. In this study, we have employed generic bead-spring models of flexible chains to study a chemically and physically cross-linked network. Our results will show the importance defects, such as dangling ends and loops, on the mechanical and structural properties of these networks. We will also discuss the effects of these defects on the time-dependent elastic modulus. The simulation results qualitatively agree with experimental results and the other theoretical predictions.

  11. Imperfect Geometric Control and Overdamping for The Damped Wave Equation

    NASA Astrophysics Data System (ADS)

    Burq, Nicolas; Christianson, Hans

    2015-05-01

    We consider the damped wave equation on a manifold with imperfect geometric control. We show the sub-exponential energy decay estimate in (Christianson, J Funct Anal 258(3):1060-1065, 2010) is optimal in the case of one hyperbolic periodic geodesic. We show if the equation is overdamped, then the energy decays exponentially. Finally we show if the equation is overdamped but geometric control fails for one hyperbolic periodic geodesic, then nevertheless the energy decays exponentially.

  12. Buckling of structures with uncertain imperfections - Personal perspective

    NASA Technical Reports Server (NTRS)

    Elishakoff, Isaac

    1998-01-01

    The previous review on stochastic buckling of structures was written by Amazigo in 1976. This review summarizes some of the developments which took place in recent two decades. A brief overview is given of the effect on uncertainty in the initial geometric imperfections, elastic moduli, applied forces, and thickness variation. For the benefit of the thinking reader, the review has a critical nature. It should be noted that this manuscript has yet to be completed.

  13. Recursive, in-place algorithm for the hexagonal orthogonal oriented quadrature image pyramid

    NASA Technical Reports Server (NTRS)

    Watson, Andrew B.

    1989-01-01

    Pyramid image transforms have proven useful in image coding and pattern recognition. The hexagonal orthogonal oriented quadrature image pyramid (HOP), transforms an image into a set of orthogonal, oriented, odd and even bandpass subimages. It operates on a hexagonal input lattice and employs seven kernels, each of which occupies a neighborhood consisting of a point and a hexagon of six nearest neighbors. The kernels consist of one lowpass and six bandpass kernels that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The kernels are first applied to the image samples to create the first level of the pyramid, then to the lowpass coefficients to create the next level. The resulting pyramid is a compact, efficient image code. Here, a recursive, in-place algorithm for computation of the HOP transform is described. The transform may be regarded as a depth-first traversal of a tree structure. It is shown that the algorithm requires a number of operations that is on the order of the number of pixels.

  14. Hydrothermal hexagonal SrFe12O19 ferrite powders: Phase composition, microstructure and acid washing

    NASA Astrophysics Data System (ADS)

    Xia, Ailin; Hu, Xuzhao; Li, Diankai; Chen, Lu; Jin, Chuangui; Zuo, Conghua; Su, Shubing

    2014-03-01

    A series of hexagonal m-type SrFe12O19 ferrite powders were hydrothermally synthesized, and their phase composition, microstructure and magnetic properties before/after acid washing were studied. In the synthesis of these specimens, the atomic ratio of Fe/Sr ( R F/S ) in starting materials was set to 4, 5 and 12, respectively. When R F/S = 12, the specimen has morphology of round flat cakes, not typical hexagonal plate-like structure. The results of SEM images and XRD patterns indicate that the specimen with R F/S = 12 was mostly composed of Fe2O3. When R F/S = 4 or 5, the hexagonal plate-like SrFe12O19 ferrite powders were successfully synthesized with only a small quantity of Fe2O3 and SrCO3 impurities. It is also found that acid washing can eliminate the impurities in as-synthesized specimens effectively, and also change their topography, which enhances the saturation magnetization. However, the coercivity changed irregularly after acid washing, which is ascribed to the combination of the changed morphology, introduced stress and lattice defects.

  15. Structural and magnetic properties of Ca-substituted barium W-type hexagonal hexaferrites

    NASA Astrophysics Data System (ADS)

    Huang, Kai; Liu, Xiansong; Feng, Shuangjiu; Zhang, Zhanjun; Yu, Jiangying; Niu, Xiaofei; Lv, Farui; Huang, Xing

    2015-04-01

    A series of W-type hexagonal ferrites with the composition Ba1-xCaxCo2Fe16O27 (x=0, 0.1, 0.3, 0.4 and 0.5) were synthesized using a sol-gel method. The effects of doping on structural and magnetic properties are studied by X-ray diffraction, thermal analyzer, scanning electron microscopy, vibrating sample magnetometer and vector network analyzer, respectively. The X-ray diffraction analysis shows that the samples belong to the W-type hexagonal ferrite. The lattice constants a and c decreases as Ca contents increases. The grains exhibit well defined hexagonal shape. The saturation magnetization and the intrinsic coercive force increases with the increase of the Ca substitution amount. The real part of complex permittivity (ε‧) and imaginary part (ε″) increase with more addition of Ca2+ amount. The imaginary part of complex permittivity (μ‧) increases and the real part (μ‧‧) goes down after Ca2+ is doped. Furthermore, the Ca2+ ions doped in the ferrite improved microwave absorbency.

  16. Clusters in irregular areas and lattices

    PubMed Central

    Wieczorek, William F.; Delmerico, Alan M.; Rogerson, Peter A.; Wong, David W.S.

    2013-01-01

    Geographic areas of different sizes and shapes of polygons that represent counts or rate data are often encountered in social, economic, health, and other information. Often political or census boundaries are used to define these areas because the information is available only for those geographies. Therefore, these types of boundaries are frequently used to define neighborhoods in spatial analyses using geographic information systems and related approaches such as multilevel models. When point data can be geocoded, it is possible to examine the impact of polygon shape on spatial statistical properties, such as clustering. We utilized point data (alcohol outlets) to examine the issue of polygon shape and size on visualization and statistical properties. The point data were allocated to regular lattices (hexagons and squares) and census areas for zip-code tabulation areas and tracts. The number of units in the lattices was set to be similar to the number of tract and zip-code areas. A spatial clustering statistic and visualization were used to assess the impact of polygon shape for zip- and tract-sized units. Results showed substantial similarities and notable differences across shape and size. The specific circumstances of a spatial analysis that aggregates points to polygons will determine the size and shape of the areal units to be used. The irregular polygons of census units may reflect underlying characteristics that could be missed by large regular lattices. Future research to examine the potential for using a combination of irregular polygons and regular lattices would be useful. PMID:24282627

  17. Anisotropic peak effect due to structural phase transition in the vortex lattice

    NASA Astrophysics Data System (ADS)

    Rosenstein, Baruch; Knigavko, Anton

    2000-05-01

    The recently observed new peak effect in YBCO is explained by softening of the vortex lattice (VL) due to a structural phase transition in the VL. At this transition, square lattice transforms into a distorted hexagonal one. While conventional peak effect is associated with softening of shear modes at melting, in this case the relevant mode is the point. The squash mode is highly anisotropic and we point out some peculiar effects associated with this feature.

  18. Atomic-scale dynamics of triangular hole growth in monolayer hexagonal boron nitride under electron irradiation

    NASA Astrophysics Data System (ADS)

    Ryu, Gyeong Hee; Park, Hyo Ju; Ryou, Junga; Park, Jinwoo; Lee, Jongyeong; Kim, Gwangwoo; Shin, Hyeon Suk; Bielawski, Christopher W.; Ruoff, Rodney S.; Hong, Suklyun; Lee, Zonghoon

    2015-06-01

    The production of holes by electron beam irradiation in hexagonal boron nitride (hBN), which has a lattice similar to that of graphene, is monitored over time using atomic resolution transmission electron microscopy. The holes appear to be initiated by the formation of a vacancy of boron and grow in a manner that retains an overall triangular shape. The hole growth process involves the formation of single chains of B and N atoms and is accompanied by the ejection of atoms and bundles of atoms along the hole edges, as well as atom migration. These observations are compared to density functional theory calculations and molecular dynamics simulations.The production of holes by electron beam irradiation in hexagonal boron nitride (hBN), which has a lattice similar to that of graphene, is monitored over time using atomic resolution transmission electron microscopy. The holes appear to be initiated by the formation of a vacancy of boron and grow in a manner that retains an overall triangular shape. The hole growth process involves the formation of single chains of B and N atoms and is accompanied by the ejection of atoms and bundles of atoms along the hole edges, as well as atom migration. These observations are compared to density functional theory calculations and molecular dynamics simulations. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01473e

  19. Hexagonal OsB2 reduction upon heating in H2 containing environment

    DOE PAGES

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Payzant, E. Andrew

    2014-10-23

    The stability of hexagonal ReB2 type OsB2 powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB2 to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB2 upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valences in the alternating boron/osmiummore » sheet structure of hexagonal (P63/mmc, No. 194) OsB2; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.« less

  20. The reconstructed edges of the hexagonal BN

    NASA Astrophysics Data System (ADS)

    Zhao, Ruiqi; Gao, Junfeng; Liu, Zhongfan; Ding, Feng

    2015-05-01

    As an important two-dimensional material which shows exceptional mechanical and chemical stability, superior electronic properties, along with broad applications, the hexagonal-BN (h-BN) has drawn great attention recently. Here we report a systematic study on the structural stability, electronic and magnetic properties of various h-BN edges, including both bare and hydrogen-terminated ones. It is found that along the armchair (AC) direction, the pristine edge is the most stable one because of the formation of a triple B\\z.tbd N bond, while, along the zigzag (ZZ) directions, the reconstructed ones, ZZB + N and ZZN57 are more stable. The pristine edges are more stable in bare BN in most cases if saturated with hydrogen. By applying the theory of Wulff construction, we predicted that an unpassivated BN domain prefers the hexagonal shape enclosed with bare AC edges i.e., AC-Ns, AC, AC-Bs if the feedstock varies from N-rich to B-rich. However, the evolution from ZZN edged triangular domain, to hexagonal domain enclosed with AC edges, and ZZB edged triangle may occur if the edges are terminated by hydrogen atoms. Further calculation shows that these edges present rich type-dependent properties and thus are important for various applications. This theoretical study showed that controlling the morphologies of BN domains and BN edges is crucial for various applications.As an important two-dimensional material which shows exceptional mechanical and chemical stability, superior electronic properties, along with broad applications, the hexagonal-BN (h-BN) has drawn great attention recently. Here we report a systematic study on the structural stability, electronic and magnetic properties of various h-BN edges, including both bare and hydrogen-terminated ones. It is found that along the armchair (AC) direction, the pristine edge is the most stable one because of the formation of a triple B\\z.tbd N bond, while, along the zigzag (ZZ) directions, the reconstructed ones, ZZB + N

  1. Solution of an associating lattice-gas model with density anomaly on a Husimi lattice

    NASA Astrophysics Data System (ADS)

    Oliveira, Tiago J.; Stilck, Jürgen F.; Barbosa, Marco Aurélio A.

    2010-11-01

    We study a model of a lattice gas with orientational degrees of freedom which resemble the formation of hydrogen bonds between the molecules. In this model, which is the simplified version of the Henriques-Barbosa model, no distinction is made between donors and acceptors in the bonding arms. We solve the model in the grand-canonical ensemble on a Husimi lattice built with hexagonal plaquettes with a central site. The ground state of the model, which was originally defined on the triangular lattice, is exactly reproduced by the solution on this Husimi lattice. In the phase diagram, one gas and two liquid [high density liquid (HDL) and low density liquid (LDL)] phases are present. All phase transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three phases coexist at a triple point. A line of temperatures of maximum density in the isobars is found in the metastable GAS phase, as well as another line of temperatures of minimum density appears in the LDL phase, part of it in the stable region and another in the metastable region of this phase. These findings are at variance with simulational results for the same model on the triangular lattice, which suggested a phase diagram with two critical points. However, our results show very good quantitative agreement with the simulations, both for the coexistence loci and the densities of particles and of hydrogen bonds. We discuss the comparison of the simulations with our results.

  2. Solution of an associating lattice-gas model with density anomaly on a Husimi lattice.

    PubMed

    Oliveira, Tiago J; Stilck, Jürgen F; Barbosa, Marco Aurélio A

    2010-11-01

    We study a model of a lattice gas with orientational degrees of freedom which resemble the formation of hydrogen bonds between the molecules. In this model, which is the simplified version of the Henriques-Barbosa model, no distinction is made between donors and acceptors in the bonding arms. We solve the model in the grand-canonical ensemble on a Husimi lattice built with hexagonal plaquettes with a central site. The ground state of the model, which was originally defined on the triangular lattice, is exactly reproduced by the solution on this Husimi lattice. In the phase diagram, one gas and two liquid [high density liquid (HDL) and low density liquid (LDL)] phases are present. All phase transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three phases coexist at a triple point. A line of temperatures of maximum density in the isobars is found in the metastable GAS phase, as well as another line of temperatures of minimum density appears in the LDL phase, part of it in the stable region and another in the metastable region of this phase. These findings are at variance with simulational results for the same model on the triangular lattice, which suggested a phase diagram with two critical points. However, our results show very good quantitative agreement with the simulations, both for the coexistence loci and the densities of particles and of hydrogen bonds. We discuss the comparison of the simulations with our results.

  3. Solubilization of nutraceuticals into reverse hexagonal mesophases.

    PubMed

    Amar-Yuli, Idit; Aserin, Abraham; Garti, Nissim

    2008-08-21

    The solubilization of four bioactive molecules with different polarities, in three reverse hexagonal (HII) systems has been investigated. The three HII systems were a typical reverse hexagonal composed of glycerol monooleate (GMO)/tricaprylin/water and two fluid hexagonal systems containing either 2.75 wt % Transcutol or ethanol as a fourth component. The phase behavior of the liquid crystalline phases in the presence of ascorbic acid, ascorbyl palmitate, D-alpha-tocopherol and D-alpha-tocopherol acetate were determined by small-angle X-ray scattering (SAXS) and optical microscopy. Differential scanning calorimetry (DSC) and Fourier-transform infrared (FT-IR) techniques were utilized to follow modifications in the thermal behavior and in the vibrations of different functional groups upon solubilizing the bioactive molecules. The nature of each guest molecule (in both geometry and polarity) together with the different HII structures (typical and fluids) determined the corresponding phase behavior, swelling or structural transformations and its location in the HII structures. Ascorbic acid was found to act as a chaotropic guest molecule, localized in the water-rich core and at the interface. The AP was also a chaotropic guest molecule with its head located in the vicinity of the GMO headgroup while its tail embedded close to the surfactant tail. D-alpha-tocopherol and D-alpha-tocopherol acetate were incorporated between the GMO tails; however, the D-alpha-tocopherol was located closer to the interface. Once Transcutol or ethanol was present and upon guest molecule incorporation, partial migration was detected.

  4. Wargaming in Both Rectilinear and Hexagonal Spaces

    NASA Technical Reports Server (NTRS)

    Hoover, Alex

    2012-01-01

    There are two main approaches to managing wargame entity interactions (movement, line of sight, area of effect, etc) freespace and gridded In the freespace approach, the units exist as entities in a continuous volume of (usually) Cartesian 3D space. They move in any direction (based on interaction with "terrain" that occupies the same space) and interact with each other based on references and displacements from their position in that space. In the gridded approach, space is broken up into (usually regular) shaped pieces. Units are considered to occupy the entire volume of one of these pieces, movement, line of sight, and other interactions are based on the relationships among the spaces rather than the absolute positions of the units themselves. Both approaches have advantages and drawbacks. The general issue that this discussion has addressed is that there is no "perfect" approach to implementing a wargaming battlespace. Each of them (and this extends to others not discussed) has different sets of advantages and disadvantages. Nothing will change that basic nature of the various approaches, nor would it be desirable to do so. Along with the advantages, the challenges define the feel of the game and focus the thinking of the players on certain aspects and away from others. The proposed approach to combining square and hexagonal approaches, which we will call the rhombus interface, leverages rhombuses constructed from equilateral triangles into which the hexagon can be decomposed to bridge the gap between the approaches, maintain relative consistency between the two as much as possible, and provide most of the feel of the hexagonal approach.

  5. Diamagnetic response in zigzag hexagonal silicene rings

    NASA Astrophysics Data System (ADS)

    Xu, Ning; Chen, Qiao; Tian, Hongyu; Ding, Jianwen; Liu, Junfeng

    2016-09-01

    Hexagonal silicene rings with unusually large diamagnetic moments have been found in a theoretical study of the electronic and magnetic properties. In the presence of effective spin-orbit coupling, the magnetic-field-driven spin-up electrons flow anticlockwise exhibiting colossal diamagnetic moments, while the spin-down electrons flow clockwise exhibiting colossal paramagnetic moments along the rings. The large diamagnetic moment is thus the result of competition of spin-up and spin-down electrons, which can be modulated by spin-orbit coupling strength and exchange field.

  6. Diagonal form factors and hexagon form factors

    NASA Astrophysics Data System (ADS)

    Jiang, Yunfeng; Petrovskii, Andrei

    2016-07-01

    We study the heavy-heavy-light (HHL) three-point functions in the planar {N} = 4 super-Yang-Mills theory using the recently proposed hexagon bootstrap program [1]. We prove the conjecture of Bajnok, Janik and Wereszczynski [2] on the polynomial L-dependence of HHL structure constant up to the leading finite-size corrections, where L is the length of the heavy operators. The proof is presented for a specific set-up but the method can be applied to more general situations.

  7. Method for exfoliation of hexagonal boron nitride

    NASA Technical Reports Server (NTRS)

    Lin, Yi (Inventor); Connell, John W. (Inventor)

    2012-01-01

    A new method is disclosed for the exfoliation of hexagonal boron nitride into mono- and few-layered nanosheets (or nanoplatelets, nanomesh, nanoribbons). The method does not necessarily require high temperature or vacuum, but uses commercially available h-BN powders (or those derived from these materials, bulk crystals) and only requires wet chemical processing. The method is facile, cost efficient, and scalable. The resultant exfoliated h-BN is dispersible in an organic solvent or water thus amenable for solution processing for unique microelectronic or composite applications.

  8. Optical second-harmonic generation from two-dimensional hexagonal crystals with broken space inversion symmetry.

    PubMed

    Margulis, Vl A; Muryumin, E E; Gaiduk, E A

    2013-05-15

    We propose a microscopic theory of the optical second-harmonic generation (SHG) from π electrons in two-dimensional (2D) honeycomb lattice structures with broken space inversion symmetry, such as graphene epitaxially grown on a SiC substrate and boronitrene (a single sheet of hexagonal boron nitride (h-BN)). The approach developed is based on a simple two-band π-electron tight-binding model combined with the original Genkin-Mednis formalism of the second-order nonlinear optical response theory, detailed in our recent paper (2010 Phys. Rev. B 82 235426). Within the framework of the approach, we derive an explicit expression for the SHG susceptibility χ2(SHG(ω), which involves two distinct contributions originating from a mixture of interband and intraband motion of π electrons. Both the contributions, and, hence, the χ2(SHG(ω) on the whole, are found to tend to zero when the π-electron energy bands involved are treated at the simplest level of approximation, neglecting the effect of their trigonal warping around the corners of the Brillouin zone of the 2D hexagonal lattice. Through numerical calculations, it is shown that this effect, though rather small, leads to a fairly large magnitude of the SHG susceptibility, reaching the order of 10(-4) esu for the graphene/SiC overlayer system and 10(-7) esu for monolayer h-BN, when the pump photon energy ħω approaches half the bandgap energy Eg of those structures. These theoretical findings suggest that SHG can be used as a sensitive optical probe of the electronic structure of the examined 2D hexagonal crystals and simultaneously demonstrate that those crystals may be an appropriate material for practical uses in future optoelectronic nano-devices.

  9. Gravitational waves from inspiralling compact binaries: Hexagonal template placement and its efficiency in detecting physical signals

    SciTech Connect

    Cokelaer, T.

    2007-11-15

    Matched filtering is used to search for gravitational waves emitted by inspiralling compact binaries in data from the ground-based interferometers. One of the key aspects of the detection process is the design of a template bank that covers the astrophysically pertinent parameter space. In an earlier paper, we described a template bank that is based on a square lattice. Although robust, we showed that the square placement is overefficient, with the implication that it is computationally more demanding than required. In this paper, we present a template bank based on an hexagonal lattice, which size is reduced by 40% with respect to the proposed square placement. We describe the practical aspects of the hexagonal template bank implementation, its size, and computational cost. We have also performed exhaustive simulations to characterize its efficiency and safeness. We show that the bank is adequate to search for a wide variety of binary systems (primordial black holes, neutron stars, and stellar-mass black holes) and in data from both current detectors (initial LIGO, Virgo and GEO600) as well as future detectors (advanced LIGO and EGO). Remarkably, although our template bank placement uses a metric arising from a particular template family, namely, stationary phase approximation, we show that it can be used successfully with other template families (e.g., Pade resummation and effective one-body approximation). This quality of being effective for different template families makes the proposed bank suitable for a search that would use several of them in parallel (e.g., in a binary black hole search). The hexagonal template bank described in this paper is currently used to search for nonspinning inspiralling compact binaries in data from the Laser Interferometer Gravitational-Wave Observatory (LIGO)

  10. Domain wall kinetics of lithium niobate single crystals near the hexagonal corner

    SciTech Connect

    Choi, Ju Won; Ko, Do-Kyeong; Yu, Nan Ei E-mail: jhro@pnu.edu; Kitamura, Kenji; Ro, Jung Hoon E-mail: jhro@pnu.edu

    2015-03-09

    A mesospheric approach based on a simple microscopic 2D Ising model in a hexagonal lattice plane is proposed to explain macroscopic “asymmetric in-out domain wall motion” observation in the (0001) plane of MgO-doped stoichiometric lithium niobate. Under application of an electric field that was higher than the conventional coercive field (E{sub c}) to the ferroelectric crystal, a natural hexagonal domain was obtained with walls that were parallel to the Y-axis of the crystal. When a fraction of the coercive field of around 0.1E{sub c} is applied in the reverse direction, this hexagonal domain is shrunk (moved inward) from the corner site into a shape with a corner angle of around 150° and 15° wall slopes to the Y-axis. A flipped electric field of 0.15E{sub c} is then applied to recover the natural hexagonal shape, and the 150° corner shape changes into a flat wall with 30° slope (moved outward). The differences in corner domain shapes between inward and outward domain motion were analyzed theoretically in terms of corner and wall site energies, which are described using the domain corner angle and wall slope with respect to the crystal Y-axis, respectively. In the inward domain wall motion case, the energy levels of the evolving 150° domain corner and 15° slope walls are most competitive, and could co-exist. In the outward case, the energy levels of corners with angles >180° are highly stable when compared with the possible domain walls; only a flat wall with 30° slope to the Y-axis is possible during outward motion.

  11. Nylon flocked swab severely reduces Hexagon Obti sensibility.

    PubMed

    Frippiat, Christophe; De Roy, Gilbert; Fontaine, Louis-Marie; Dognaux, Sophie; Noel, Fabrice; Heudt, Laeticia; Lepot, Laurent

    2015-02-01

    Hexagon Obti immunological blood test and flocked swab are widely used in forensic laboratories. Nevertheless, up to now, no compatibility tests have been published between sampling with the ethylene oxide treated flocked swab and the Hexagon Obti blood detection strip. In this study, we investigated this compatibility. Our work shows that sampling with ethylene oxide treated flocked swab reduces by a factor of at least 100 the detection threshold of blood using the Hexagon Obti immunological test. PMID:25575014

  12. Perspectives in Lattice QCD

    NASA Astrophysics Data System (ADS)

    Kuramashi, Yoshinobu

    2007-12-01

    Preface -- Fixed point actions, symmetries and symmetry transformations on the lattice / P. Hasenfratz -- Algorithms for dynamical fennions / A. D. Kennedy -- Applications of chiral perturbation theory to lattice QCD / Stephen R. Sharpe -- Lattice QCD with a chiral twist / S. Sint -- Non-perturbative QCD: renormalization, O(A) - Improvement and matching to Heavy Quark effective theory / Rainer Sommer.

  13. Postdeposition annealing induced transition from hexagonal Pr{sub 2}O{sub 3} to cubic PrO{sub 2} films on Si(111)

    SciTech Connect

    Weisemoeller, T.; Bertram, F.; Gevers, S.; Greuling, A.; Deiter, C.; Tobergte, H.; Neumann, M.; Wollschlaeger, J.; Giussani, A.; Schroeder, T.

    2009-06-15

    Films of hexagonal praseodymium sesquioxide (h-Pr{sub 2}O{sub 3}) were deposited on Si(111) by molecular beam epitaxy and thereafter annealed in 1 atm oxygen at different temperatures, ranging from 100 to 700 deg. C. The films of the samples annealed at 300 deg. C or more were transformed to PrO{sub 2} with B-oriented Fm3m structure, while films annealed at lower temperatures kept the hexagonal structure. The films are composed of PrO{sub 2} and PrO{sub 2-d}elta species, which coexist laterally and are tetragonally distorted due to the interaction at the interface between oxide film and Si substrate. Compared to PrO{sub 2}, PrO{sub 2-d}elta has the same cubic structure but with oxygen vacancies. The oxygen vacancies are partly ordered and increase the vertical lattice constant of the film, whereas the lateral lattice constant is almost identical for both species and on all samples. The latter lattice constant matches the lattice constant of the originally crystallized hexagonal praseodymium sesquioxide. That means that no long range reordering of the praseodymium atoms takes place during the phase transformation.

  14. Stability of continuous-time quantum filters with measurement imperfections

    NASA Astrophysics Data System (ADS)

    Amini, H.; Pellegrini, C.; Rouchon, P.

    2014-07-01

    The fidelity between the state of a continuously observed quantum system and the state of its associated quantum filter, is shown to be always a submartingale. The observed system is assumed to be governed by a continuous-time Stochastic Master Equation (SME), driven simultaneously by Wiener and Poisson processes and that takes into account incompleteness and errors in measurements. This stability result is the continuous-time counterpart of a similar stability result already established for discrete-time quantum systems and where the measurement imperfections are modelled by a left stochastic matrix.

  15. Analysis of resonance-driving imperfections in the AGS Booster

    SciTech Connect

    Gardner, C.; Shoji, Y.; Danby, G.; Glenn, J.W.; Jackson, G.J.; Soukas, A.; van Asselt, W.; Whalen, C.

    1994-08-01

    At the design intensity of 1.5 {times} 10{sup 13} ppp, the space charge tune shift in the AGS Booster at injection has been estimated to be about 0.35. The beam tunes are therefore spread over many lower order resonance lines and the associated stopbands must be corrected in order to minimize the amplitude growth due to resonance excitation. This requires proper compensation of the resonance-driving harmonics which result from random magnetic field errors. The observation and correction of second and third order resonance stopbands in the AGS Booster is reviewed, and an analysis of magnetic field imperfections based on the required corrections is given.

  16. Probing topological relations between high-density and low-density regions of 2MASS with hexagon cells

    SciTech Connect

    Wu, Yongfeng; Xiao, Weike

    2014-02-01

    We introduced a new two-dimensional (2D) hexagon technique for probing the topological structure of the universe in which we mapped regions of the sky with high and low galaxy densities onto a 2D lattice of hexagonal unit cells. We defined filled cells as corresponding to high-density regions and empty cells as corresponding to low-density regions. The numbers of filled cells and empty cells were kept the same by controlling the size of the cells. By analyzing the six sides of each hexagon, we could obtain and compare the statistical topological properties of high-density and low-density regions of the universe in order to have a better understanding of the evolution of the universe. We applied this hexagonal method to Two Micron All Sky Survey data and discovered significant topological differences between the high-density and low-density regions. Both regions had significant (>5σ) topological shifts from both the binomial distribution and the random distribution.

  17. B{sub 27}{sup −}: Appearance of the smallest planar boron cluster containing a hexagonal vacancy

    SciTech Connect

    Li, Wei-Li; Piazza, Zachary A.; Wang, Lai-Sheng; Pal, Rhitankar; Zeng, Xiao Cheng

    2015-05-28

    Photoelectron spectroscopy and ab initio calculations have been carried out to probe the structures and chemical bonding of the B{sub 27}{sup −} cluster. Comparison between the experimental spectrum and the theoretical results reveals a two-dimensional (2D) global minimum with a triangular lattice containing a tetragonal defect (I) and two low-lying 2D isomers (II and III), each with a hexagonal vacancy. All three 2D isomers have 16 peripheral boron atoms and 11 inner boron atoms. Isomer I is shown to be mainly responsible for the observed photoelectron spectrum with isomers II and III as minor contributors. Chemical bonding analyses of these three isomers show that they all feature 16 localized peripheral B–B σ-bonds. Additionally, isomer I possesses 16 delocalized σ bonds and nine delocalized π bonds, while isomers II and III each contain 17 delocalized σ bonds and eight delocalized π bonds. It is found that the hexagonal vacancy is associated generally with an increase of delocalized σ bonds at the expense of delocalized π bonds in 2D boron clusters. The hexagonal vacancy, characteristic of borophenes, is found to be a general structural feature for mid-sized boron clusters. The current study shows that B{sub 27}{sup −} is the first boron cluster, where a hexagonal vacancy appears among the low-lying isomers accessible experimentally.

  18. Robust light transport in non-Hermitian photonic lattices

    NASA Astrophysics Data System (ADS)

    Longhi, Stefano; Gatti, Davide; Valle, Giuseppe Della

    2015-08-01

    Combating the effects of disorder on light transport in micro- and nano-integrated photonic devices is of major importance from both fundamental and applied viewpoints. In ordinary waveguides, imperfections and disorder cause unwanted back-reflections, which hinder large-scale optical integration. Topological photonic structures, a new class of optical systems inspired by quantum Hall effect and topological insulators, can realize robust transport via topologically-protected unidirectional edge modes. Such waveguides are realized by the introduction of synthetic gauge fields for photons in a two-dimensional structure, which break time reversal symmetry and enable one-way guiding at the edge of the medium. Here we suggest a different route toward robust transport of light in lower-dimensional (1D) photonic lattices, in which time reversal symmetry is broken because of the non-Hermitian nature of transport. While a forward propagating mode in the lattice is amplified, the corresponding backward propagating mode is damped, thus resulting in an asymmetric transport insensitive to disorder or imperfections in the structure. Non-Hermitian asymmetric transport can occur in tight-binding lattices with an imaginary gauge field via a non-Hermitian delocalization transition, and in periodically-driven superlattices. The possibility to observe non-Hermitian delocalization is suggested using an engineered coupled-resonator optical waveguide (CROW) structure.

  19. Robust light transport in non-Hermitian photonic lattices.

    PubMed

    Longhi, Stefano; Gatti, Davide; Della Valle, Giuseppe

    2015-08-28

    Combating the effects of disorder on light transport in micro- and nano-integrated photonic devices is of major importance from both fundamental and applied viewpoints. In ordinary waveguides, imperfections and disorder cause unwanted back-reflections, which hinder large-scale optical integration. Topological photonic structures, a new class of optical systems inspired by quantum Hall effect and topological insulators, can realize robust transport via topologically-protected unidirectional edge modes. Such waveguides are realized by the introduction of synthetic gauge fields for photons in a two-dimensional structure, which break time reversal symmetry and enable one-way guiding at the edge of the medium. Here we suggest a different route toward robust transport of light in lower-dimensional (1D) photonic lattices, in which time reversal symmetry is broken because of the non-Hermitian nature of transport. While a forward propagating mode in the lattice is amplified, the corresponding backward propagating mode is damped, thus resulting in an asymmetric transport insensitive to disorder or imperfections in the structure. Non-Hermitian asymmetric transport can occur in tight-binding lattices with an imaginary gauge field via a non-Hermitian delocalization transition, and in periodically-driven superlattices. The possibility to observe non-Hermitian delocalization is suggested using an engineered coupled-resonator optical waveguide (CROW) structure.

  20. Robust light transport in non-Hermitian photonic lattices

    PubMed Central

    Longhi, Stefano; Gatti, Davide; Valle, Giuseppe Della

    2015-01-01

    Combating the effects of disorder on light transport in micro- and nano-integrated photonic devices is of major importance from both fundamental and applied viewpoints. In ordinary waveguides, imperfections and disorder cause unwanted back-reflections, which hinder large-scale optical integration. Topological photonic structures, a new class of optical systems inspired by quantum Hall effect and topological insulators, can realize robust transport via topologically-protected unidirectional edge modes. Such waveguides are realized by the introduction of synthetic gauge fields for photons in a two-dimensional structure, which break time reversal symmetry and enable one-way guiding at the edge of the medium. Here we suggest a different route toward robust transport of light in lower-dimensional (1D) photonic lattices, in which time reversal symmetry is broken because of the non-Hermitian nature of transport. While a forward propagating mode in the lattice is amplified, the corresponding backward propagating mode is damped, thus resulting in an asymmetric transport insensitive to disorder or imperfections in the structure. Non-Hermitian asymmetric transport can occur in tight-binding lattices with an imaginary gauge field via a non-Hermitian delocalization transition, and in periodically-driven superlattices. The possibility to observe non-Hermitian delocalization is suggested using an engineered coupled-resonator optical waveguide (CROW) structure. PMID:26314932

  1. Supersymmetric correspondence in spectra on a graph and its line graph: From circuit theory to spoof plasmons on metallic lattices

    NASA Astrophysics Data System (ADS)

    Nakata, Yosuke; Urade, Yoshiro; Nakanishi, Toshihiro; Miyamaru, Fumiaki; Takeda, Mitsuo Wada; Kitano, Masao

    2016-04-01

    We investigate the supersymmetry (SUSY) structures for inductor-capacitor circuit networks on a simple regular graph and its line graph. We show that their eigenspectra must coincide (except, possibly, for the highest eigenfrequency) due to SUSY, which is derived from the topological nature of the circuits. To observe this spectra correspondence in the high-frequency range, we study spoof plasmons on metallic hexagonal and kagomé lattices. The band correspondence between them is predicted by a simulation. Using terahertz time-domain spectroscopy, we demonstrate the band correspondence of fabricated metallic hexagonal and kagomé lattices.

  2. Hexagonal boron nitride and water interaction parameters.

    PubMed

    Wu, Yanbin; Wagner, Lucas K; Aluru, Narayana R

    2016-04-28

    The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics and ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems. PMID:27131542

  3. Hexagonal boron nitride and water interaction parameters.

    PubMed

    Wu, Yanbin; Wagner, Lucas K; Aluru, Narayana R

    2016-04-28

    The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics and ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.

  4. The hexagon hypothesis: Six disruptive scenarios.

    PubMed

    Burtles, Jim

    2015-01-01

    This paper aims to bring a simple but effective and comprehensive approach to the development, delivery and monitoring of business continuity solutions. To ensure that the arguments and principles apply across the board, the paper sticks to basic underlying concepts rather than sophisticated interpretations. First, the paper explores what exactly people are defending themselves against. Secondly, the paper looks at how defences should be set up. Disruptive events tend to unfold in phases, each of which invites a particular style of protection, ranging from risk management through to business continuity to insurance cover. Their impact upon any business operation will fall into one of six basic scenarios. The hexagon hypothesis suggests that everyone should be prepared to deal with each of these six disruptive scenarios and it provides them with a useful benchmark for business continuity.

  5. Combinatorics of giant hexagonal bilayer hemoglobins.

    PubMed

    Hanin, L G; Vinogradov, S N

    2000-01-01

    The paper discusses combinatorial and probabilistic models allowing to characterize various aspects of spacial symmetry and structural heterogeneity of the giant hexagonal bilayer hemoglobins (HBL Hb). Linker-dodecamer configurations of HBL are described for two and four linker types (occurring in the two most studied HBL Hb of Arenicola and Lumbricus, respectively), and the most probable configurations are found. It is shown that, for HBL with marked dodecamers, the number of 'normal-marked' pairs of dodecamers in homological position follows a binomial distribution. The group of symmetries of the dodecamer substructure of HBL is identified with the dihedral group D6. Under natural symmetry assumptions, the total dipole moment of the dodecamer substructure of HBL is shown to be zero. Biological implications of the mathematical findings are discussed.

  6. Quantum emission from hexagonal boron nitride monolayers.

    PubMed

    Tran, Toan Trong; Bray, Kerem; Ford, Michael J; Toth, Milos; Aharonovich, Igor

    2016-01-01

    Artificial atomic systems in solids are widely considered the leading physical system for a variety of quantum technologies, including quantum communications, computing and metrology. To date, however, room-temperature quantum emitters have only been observed in wide-bandgap semiconductors such as diamond and silicon carbide, nanocrystal quantum dots, and most recently in carbon nanotubes. Single-photon emission from two-dimensional materials has been reported, but only at cryogenic temperatures. Here, we demonstrate room-temperature, polarized and ultrabright single-photon emission from a colour centre in two-dimensional hexagonal boron nitride. Density functional theory calculations indicate that vacancy-related defects are a probable source of the emission. Our results demonstrate the unprecedented potential of van der Waals crystals for large-scale nanophotonics and quantum information processing.

  7. Growth of InN hexagonal microdisks

    NASA Astrophysics Data System (ADS)

    Yang, Chen-Chi; Lo, Ikai; Hu, Chia-Hsuan; Huang, Hui-Chun; Chou, Mitch M. C.

    2016-08-01

    InN hexagonal thin wurtzite disks were grown on γ-LiAlO2 by plasma-assisted molecular-beam epitaxy at low temperature (470oC). The ( 000 1 ¯ ) InN thin disk was established with the capture of N atoms by the β ¯ -dangling bonds of most-outside In atoms, and then the lateral over-growth of the In atoms were caught by the β ¯ -dangling bonds of the N atoms. From the analyses of high-resolution transmission electron microscopy, the lateral over-grown width was extended to three unit cells at [ 1 1 ¯ 00 ]InN direction for a unit step-layer, resulting in an oblique surface with 73o off c-axis.

  8. The hexagon hypothesis: Six disruptive scenarios.

    PubMed

    Burtles, Jim

    2015-01-01

    This paper aims to bring a simple but effective and comprehensive approach to the development, delivery and monitoring of business continuity solutions. To ensure that the arguments and principles apply across the board, the paper sticks to basic underlying concepts rather than sophisticated interpretations. First, the paper explores what exactly people are defending themselves against. Secondly, the paper looks at how defences should be set up. Disruptive events tend to unfold in phases, each of which invites a particular style of protection, ranging from risk management through to business continuity to insurance cover. Their impact upon any business operation will fall into one of six basic scenarios. The hexagon hypothesis suggests that everyone should be prepared to deal with each of these six disruptive scenarios and it provides them with a useful benchmark for business continuity. PMID:26420396

  9. Quantum emission from hexagonal boron nitride monolayers.

    PubMed

    Tran, Toan Trong; Bray, Kerem; Ford, Michael J; Toth, Milos; Aharonovich, Igor

    2016-01-01

    Artificial atomic systems in solids are widely considered the leading physical system for a variety of quantum technologies, including quantum communications, computing and metrology. To date, however, room-temperature quantum emitters have only been observed in wide-bandgap semiconductors such as diamond and silicon carbide, nanocrystal quantum dots, and most recently in carbon nanotubes. Single-photon emission from two-dimensional materials has been reported, but only at cryogenic temperatures. Here, we demonstrate room-temperature, polarized and ultrabright single-photon emission from a colour centre in two-dimensional hexagonal boron nitride. Density functional theory calculations indicate that vacancy-related defects are a probable source of the emission. Our results demonstrate the unprecedented potential of van der Waals crystals for large-scale nanophotonics and quantum information processing. PMID:26501751

  10. Quantum emission from hexagonal boron nitride monolayers

    NASA Astrophysics Data System (ADS)

    Tran, Toan Trong; Bray, Kerem; Ford, Michael J.; Toth, Milos; Aharonovich, Igor

    2016-01-01

    Artificial atomic systems in solids are widely considered the leading physical system for a variety of quantum technologies, including quantum communications, computing and metrology. To date, however, room-temperature quantum emitters have only been observed in wide-bandgap semiconductors such as diamond and silicon carbide, nanocrystal quantum dots, and most recently in carbon nanotubes. Single-photon emission from two-dimensional materials has been reported, but only at cryogenic temperatures. Here, we demonstrate room-temperature, polarized and ultrabright single-photon emission from a colour centre in two-dimensional hexagonal boron nitride. Density functional theory calculations indicate that vacancy-related defects are a probable source of the emission. Our results demonstrate the unprecedented potential of van der Waals crystals for large-scale nanophotonics and quantum information processing.

  11. Quantum emission from hexagonal boron nitride monolayers

    NASA Astrophysics Data System (ADS)

    Aharonovich, Igor; Tran, Toantrong; Bray, Kerem; Ford, Michael J.; Toth, Milos; MTEE Collaboration

    Artificial atomic systems in solids are widely considered the leading physical system for a variety of quantum technologies, including quantum communications, computing and metrology. To date, however, room-temperature quantum emitters have only been observed in wide-bandgap semiconductors such as diamond and silicon carbide, nanocrystal quantum dots, and most recently in carbon nanotubes. Here, we demonstrate room-temperature, polarized single-photon emission from a colour centre in two-dimensional hexagonal boron nitride. The emitters emit at the red and the near infrared spectral range and exhibit narrowband ultra bright emission (~full width at half maximum of below 10 nm with more than three million counts/s). Density functional theory calculations indicate that vacancy-related defects are a probable source of the emission. Our results demonstrate the unprecedented potential of van der Waals crystals for large-scale nanophotonics and quantum information processing.

  12. The evolutionary consequences of alternative types of imperfect vaccines.

    PubMed

    Magori, Krisztian; Park, Andrew W

    2014-03-01

    The emergence and spread of mutant pathogens that evade the effects of prophylactic interventions, including vaccines, threatens our ability to control infectious diseases globally. Imperfect vaccines (e.g. those used against influenza), while not providing life-long immunity, confer protection by reducing a range of pathogen life-history characteristics; conversely, mutant pathogens can gain an advantage by restoring the same range of traits in vaccinated hosts. Using an SEIR model motivated by equine influenza, we investigate the evolutionary consequences of alternative types of imperfect vaccination, by comparing the spread rate of three types of mutant pathogens, in response to three types of vaccines. All mutant types spread faster in response to a transmission-blocking vaccine, relative to vaccines that reduce the proportion of exposed vaccinated individuals becoming infectious, and to vaccines that reduce the length of the infectious period; this difference increases with increasing vaccine efficacy. We interpret our results using the first published Price equation formulation for an SEIR model, and find that our main result is explained by the effects of vaccines on the equilibrium host distribution across epidemiological classes. In particular, the proportion of vaccinated infectious individuals among all exposed and infectious hosts, which is relatively higher in the transmission-blocking vaccine scenario, is important in explaining the faster spread of mutant strains in response to that vaccine. Our work illustrates the connection between epidemiological and evolutionary dynamics, and the need to incorporate both in order to explain and interpret findings of complicated infectious disease dynamics. PMID:23455568

  13. Efficient logistic regression designs under an imperfect population identifier.

    PubMed

    Albert, Paul S; Liu, Aiyi; Nansel, Tonja

    2014-03-01

    Motivated by actual study designs, this article considers efficient logistic regression designs where the population is identified with a binary test that is subject to diagnostic error. We consider the case where the imperfect test is obtained on all participants, while the gold standard test is measured on a small chosen subsample. Under maximum-likelihood estimation, we evaluate the optimal design in terms of sample selection as well as verification. We show that there may be substantial efficiency gains by choosing a small percentage of individuals who test negative on the imperfect test for inclusion in the sample (e.g., verifying 90% test-positive cases). We also show that a two-stage design may be a good practical alternative to a fixed design in some situations. Under optimal and nearly optimal designs, we compare maximum-likelihood and semi-parametric efficient estimators under correct and misspecified models with simulations. The methodology is illustrated with an analysis from a diabetes behavioral intervention trial.

  14. Structural domain walls in polar hexagonal manganites

    NASA Astrophysics Data System (ADS)

    Kumagai, Yu

    2014-03-01

    The domain structure in the multiferroic hexagonal manganites is currently intensely investigated, motivated by the observation of intriguing sixfold topological defects at their meeting points [Choi, T. et al,. Nature Mater. 9, 253 (2010).] and nanoscale electrical conductivity at the domain walls [Wu, W. et al., Phys. Rev. Lett. 108, 077203 (2012).; Meier, D. et al., Nature Mater. 11, 284 (2012).], as well as reports of coupling between ferroelectricity, magnetism and structural antiphase domains [Geng, Y. et al., Nano Lett. 12, 6055 (2012).]. The detailed structure of the domain walls, as well as the origin of such couplings, however, was previously not fully understood. In the present study, we have used first-principles density functional theory to calculate the structure and properties of the low-energy structural domain walls in the hexagonal manganites [Kumagai, Y. and Spaldin, N. A., Nature Commun. 4, 1540 (2013).]. We find that the lowest energy domain walls are atomically sharp, with {210}orientation, explaining the orientation of recently observed stripe domains and suggesting their topological protection [Chae, S. C. et al., Phys. Rev. Lett. 108, 167603 (2012).]. We also explain why ferroelectric domain walls are always simultaneously antiphase walls, propose a mechanism for ferroelectric switching through domain-wall motion, and suggest an atomistic structure for the cores of the sixfold topological defects. This work was supported by ETH Zurich, the European Research Council FP7 Advanced Grants program me (grant number 291151), the JSPS Postdoctoral Fellowships for Research Abroad, and the MEXT Elements Strategy Initiative to Form Core Research Center TIES.

  15. Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model.

    PubMed

    Yao, Xiaoyan; Dong, Shuai

    2016-01-01

    The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486

  16. Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model

    PubMed Central

    Yao, Xiaoyan; Dong, Shuai

    2016-01-01

    The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486

  17. Comparison of presumptive blood test kits including hexagon OBTI.

    PubMed

    Johnston, Emma; Ames, Carole E; Dagnall, Kathryn E; Foster, John; Daniel, Barbara E

    2008-05-01

    Four presumptive blood tests, Hexagon OBTI, Hemastix(R), Leucomalachite green (LMG), and Kastle-Meyer (KM) were compared for their sensitivity in the identification of dried bloodstains. Stains of varying blood dilutions were subjected to each presumptive test and the results compared. The Hexagon OBTI buffer volume was also reduced to ascertain whether this increased the sensitivity of the kit. The study found that Hemastix(R) was the most sensitive test for trace blood detection. Only with the reduced buffer volume was the Hexagon OBTI kit as sensitive as the LMG and KM tests. However, the Hexagon OBTI kit has the advantage of being a primate specific blood detection kit. This study also investigated whether the OBTI buffer within the kit could be utilized for DNA profiling after presumptive testing. The results show that DNA profiles can be obtained from the Hexagon OBTI kit buffer directly.

  18. Exploiting imperfections in the bulk to direct assembly of surface colloids

    PubMed Central

    Cavallaro, Marcello; Gharbi, Mohamed A.; Beller, Daniel A.; Čopar, Simon; Shi, Zheng; Baumgart, Tobias; Yang, Shu; Kamien, Randall D.; Stebe, Kathleen J.

    2013-01-01

    We exploit the long-ranged elastic fields inherent to confined nematic liquid crystals (LCs) to assemble colloidal particles trapped at the LC interface into reconfigurable structures with complex symmetries and packings. Spherical colloids with homeotropic anchoring trapped at the interface between air and the nematic LC 4-cyano-4′-pentylbiphenyl create quadrupolar distortions in the director field causing particles to repel and consequently form close-packed assemblies with a triangular habit. Here, we report on complex open structures organized via interactions with defects in the bulk. Specifically, by confining the nematic LC in an array of microposts with homeotropic anchoring conditions, we cause defect rings to form at well-defined locations in the bulk of the sample. These defects source elastic deformations that direct the assembly of the interfacially trapped colloids into ring-like assemblies, which recapitulate the defect geometry even when the microposts are completely immersed in the nematic. When the surface density of the colloids is high, they form a ring near the defect and a hexagonal lattice far from it. Because topographically complex substrates are easily fabricated and LC defects are readily reconfigured, this work lays the foundation for a versatile, robust mechanism to direct assembly dynamically over large areas by controlling surface anchoring and associated bulk defect structure. PMID:24191037

  19. Exploiting imperfections in the bulk to direct assembly of surface colloids.

    PubMed

    Cavallaro, Marcello; Gharbi, Mohamed A; Beller, Daniel A; Čopar, Simon; Shi, Zheng; Baumgart, Tobias; Yang, Shu; Kamien, Randall D; Stebe, Kathleen J

    2013-11-19

    We exploit the long-ranged elastic fields inherent to confined nematic liquid crystals (LCs) to assemble colloidal particles trapped at the LC interface into reconfigurable structures with complex symmetries and packings. Spherical colloids with homeotropic anchoring trapped at the interface between air and the nematic LC 4-cyano-4'-pentylbiphenyl create quadrupolar distortions in the director field causing particles to repel and consequently form close-packed assemblies with a triangular habit. Here, we report on complex open structures organized via interactions with defects in the bulk. Specifically, by confining the nematic LC in an array of microposts with homeotropic anchoring conditions, we cause defect rings to form at well-defined locations in the bulk of the sample. These defects source elastic deformations that direct the assembly of the interfacially trapped colloids into ring-like assemblies, which recapitulate the defect geometry even when the microposts are completely immersed in the nematic. When the surface density of the colloids is high, they form a ring near the defect and a hexagonal lattice far from it. Because topographically complex substrates are easily fabricated and LC defects are readily reconfigured, this work lays the foundation for a versatile, robust mechanism to direct assembly dynamically over large areas by controlling surface anchoring and associated bulk defect structure.

  20. Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

    NASA Astrophysics Data System (ADS)

    Einstein, Theodore; Patrone, Paul

    2012-02-01

    Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

  1. Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice

    NASA Astrophysics Data System (ADS)

    Patrone, Paul N.; Einstein, T. L.

    2012-01-01

    Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.

  2. On Traveling Waves in Lattices: The Case of Riccati Lattices

    NASA Astrophysics Data System (ADS)

    Dimitrova, Zlatinka

    2012-09-01

    The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

  3. Engineering novel optical lattices.

    PubMed

    Windpassinger, Patrick; Sengstock, Klaus

    2013-08-01

    Optical lattices have developed into a widely used and highly recognized tool to study many-body quantum physics with special relevance for solid state type systems. One of the most prominent reasons for this success is the high degree of tunability in the experimental setups. While at the beginning quasi-static, cubic geometries were mainly explored, the focus of the field has now shifted toward new lattice topologies and the dynamical control of lattice structures. In this review we intend to give an overview of the progress recently achieved in this field on the experimental side. In addition, we discuss theoretical proposals exploiting specifically these novel lattice geometries. PMID:23828639

  4. Landau Levels in Strained Optical Lattices.

    PubMed

    Tian, Binbin; Endres, Manuel; Pekker, David

    2015-12-01

    We propose a hexagonal optical lattice system with spatial variations in the hopping matrix elements. Just like in the valley Hall effect in strained graphene, for atoms near the Dirac points the variations in the hopping matrix elements can be described by a pseudomagnetic field and result in the formation of Landau levels. We show that the pseudomagnetic field leads to measurable experimental signatures in momentum resolved Bragg spectroscopy, Bloch oscillations, cyclotron motion, and quantization of in situ densities. Our proposal can be realized by a slight modification of existing experiments. In contrast to previous methods, pseudomagnetic fields are realized in a completely static system avoiding common heating effects and therefore opening the door to studying interaction effects in Landau levels with cold atoms.

  5. Imperfect traveling chimera states induced by local synaptic gradient coupling.

    PubMed

    Bera, Bidesh K; Ghosh, Dibakar; Banerjee, Tanmoy

    2016-07-01

    In this paper, we report the occurrence of chimera patterns in a network of neuronal oscillators, which are coupled through local, synaptic gradient coupling. We discover a new chimera pattern, namely the imperfect traveling chimera state, where the incoherent traveling domain spreads into the coherent domain of the network. Remarkably, we also find that chimera states arise even for one-way local coupling, which is in contrast to the earlier belief that only nonlocal, global, or nearest-neighbor local coupling can give rise to chimera state; this find further relaxes the essential connectivity requirement of getting a chimera state. We choose a network of identical bursting Hindmarsh-Rose neuronal oscillators, and we show that depending upon the relative strength of the synaptic and gradient coupling, several chimera patterns emerge. We map all the spatiotemporal behaviors in parameter space and identify the transitions among several chimera patterns, an in-phase synchronized state, and a global amplitude death state.

  6. Long-distance quantum key distribution with imperfect devices

    SciTech Connect

    Lo Piparo, Nicoló; Razavi, Mohsen

    2014-12-04

    Quantum key distribution over probabilistic quantum repeaters is addressed. We compare, under practical assumptions, two such schemes in terms of their secure key generation rate per memory, R{sub QKD}. The two schemes under investigation are the one proposed by Duan et al. in [Nat. 414, 413 (2001)] and that of Sangouard et al. proposed in [Phys. Rev. A 76, 050301 (2007)]. We consider various sources of imperfections in the latter protocol, such as a nonzero double-photon probability for the source, dark count per pulse, channel loss and inefficiencies in photodetectors and memories, to find the rate for different nesting levels. We determine the maximum value of the double-photon probability beyond which it is not possible to share a secret key anymore. We find the crossover distance for up to three nesting levels. We finally compare the two protocols.

  7. Imperfect traveling chimera states induced by local synaptic gradient coupling

    NASA Astrophysics Data System (ADS)

    Bera, Bidesh K.; Ghosh, Dibakar; Banerjee, Tanmoy

    2016-07-01

    In this paper, we report the occurrence of chimera patterns in a network of neuronal oscillators, which are coupled through local, synaptic gradient coupling. We discover a new chimera pattern, namely the imperfect traveling chimera state, where the incoherent traveling domain spreads into the coherent domain of the network. Remarkably, we also find that chimera states arise even for one-way local coupling, which is in contrast to the earlier belief that only nonlocal, global, or nearest-neighbor local coupling can give rise to chimera state; this find further relaxes the essential connectivity requirement of getting a chimera state. We choose a network of identical bursting Hindmarsh-Rose neuronal oscillators, and we show that depending upon the relative strength of the synaptic and gradient coupling, several chimera patterns emerge. We map all the spatiotemporal behaviors in parameter space and identify the transitions among several chimera patterns, an in-phase synchronized state, and a global amplitude death state.

  8. Generalized random sign and alert delay models for imperfect maintenance.

    PubMed

    Dijoux, Yann; Gaudoin, Olivier

    2014-04-01

    This paper considers the modelling of the process of Corrective and condition-based Preventive Maintenance, for complex repairable systems. In order to take into account the dependency between both types of maintenance and the possibility of imperfect maintenance, Generalized Competing Risks models have been introduced in "Doyen and Gaudoin (J Appl Probab 43:825-839, 2006)". In this paper, we study two classes of these models, the Generalized Random Sign and Generalized Alert Delay models. A Generalized Competing Risks model can be built as a generalization of a particular Usual Competing Risks model, either by using a virtual age framework or not. The models properties are studied and their parameterizations are discussed. Finally, simulation results and an application to real data are presented.

  9. Long-distance quantum key distribution with imperfect devices

    NASA Astrophysics Data System (ADS)

    Lo Piparo, Nicoló; Razavi, Mohsen

    2014-12-01

    Quantum key distribution over probabilistic quantum repeaters is addressed. We compare, under practical assumptions, two such schemes in terms of their secure key generation rate per memory, RQKD. The two schemes under investigation are the one proposed by Duan et al. in [Nat. 414, 413 (2001)] and that of Sangouard et al. proposed in [Phys. Rev. A 76, 050301 (2007)]. We consider various sources of imperfections in the latter protocol, such as a nonzero double-photon probability for the source, dark count per pulse, channel loss and inefficiencies in photodetectors and memories, to find the rate for different nesting levels. We determine the maximum value of the double-photon probability beyond which it is not possible to share a secret key anymore. We find the crossover distance for up to three nesting levels. We finally compare the two protocols.

  10. How to Introduce the Imperfection Sensitivity Concept into Design 2

    NASA Technical Reports Server (NTRS)

    Elishakoff, Isaac

    1998-01-01

    The previous review on stochastic buckling of structures was written by Amazigo in 1976. The present review summarizes some of the developments which took place in recent two decades. A brief overview is given of the effect on uncertainty in the initial geometric imperfections, elastic moduli, applied forces, and thickness variation. For the benefit of the thinking reader, the review has a critical nature. Present essay should be viewed as a direct continuation of our previous paper (1983) with the same title. In order not to repeat what was covered there, it appears instructive to read it although not necessarily prior to dwelling on this article. Accordingly the title is appended with the serial number. It is not promised that the third review will follow since the university science, both fortunately and unfortunately, stands on three things: relevance, interest, and grants.

  11. Imperfect traveling chimera states induced by local synaptic gradient coupling.

    PubMed

    Bera, Bidesh K; Ghosh, Dibakar; Banerjee, Tanmoy

    2016-07-01

    In this paper, we report the occurrence of chimera patterns in a network of neuronal oscillators, which are coupled through local, synaptic gradient coupling. We discover a new chimera pattern, namely the imperfect traveling chimera state, where the incoherent traveling domain spreads into the coherent domain of the network. Remarkably, we also find that chimera states arise even for one-way local coupling, which is in contrast to the earlier belief that only nonlocal, global, or nearest-neighbor local coupling can give rise to chimera state; this find further relaxes the essential connectivity requirement of getting a chimera state. We choose a network of identical bursting Hindmarsh-Rose neuronal oscillators, and we show that depending upon the relative strength of the synaptic and gradient coupling, several chimera patterns emerge. We map all the spatiotemporal behaviors in parameter space and identify the transitions among several chimera patterns, an in-phase synchronized state, and a global amplitude death state. PMID:27575131

  12. Generalized random sign and alert delay models for imperfect maintenance.

    PubMed

    Dijoux, Yann; Gaudoin, Olivier

    2014-04-01

    This paper considers the modelling of the process of Corrective and condition-based Preventive Maintenance, for complex repairable systems. In order to take into account the dependency between both types of maintenance and the possibility of imperfect maintenance, Generalized Competing Risks models have been introduced in "Doyen and Gaudoin (J Appl Probab 43:825-839, 2006)". In this paper, we study two classes of these models, the Generalized Random Sign and Generalized Alert Delay models. A Generalized Competing Risks model can be built as a generalization of a particular Usual Competing Risks model, either by using a virtual age framework or not. The models properties are studied and their parameterizations are discussed. Finally, simulation results and an application to real data are presented. PMID:23460491

  13. FEL gain calculation for imperfectly matched electron beams

    NASA Astrophysics Data System (ADS)

    Swent, R. L.; Berryman, K. W.

    1995-04-01

    We present here the details of an analytical small-signal gain calculation. The analysis builds on the basic one-dimensional analytical calculation by modeling the effects of finite electron beam size and imperfect matching of the electron beam to the wiggler. The calculation uses TRANSPORT [SLAC-91, Rev. 2 (1977)] parameters to describe the electron beam in order to easily take the output of beam transport calculations and use them as the input for FEL gain calculations. The model accepts an arbitrary TRANSPORT beam and includes the effects of energy spread, beam size, betatron oscillations, and focussing in the wiggle plane. The model has allowed us to calculate the range over which our FEL can be tuned by changing the electron energy alone (i.e., without changing any magnets).

  14. Cycles of cooperation and defection in imperfect learning

    NASA Astrophysics Data System (ADS)

    Galla, Tobias

    2011-08-01

    We investigate a model of learning the iterated prisoner's dilemma game. Players have the choice between three strategies: always defect (ALLD), always cooperate (ALLC) and tit-for-tat (TFT). The only strict Nash equilibrium in this situation is ALLD. When players learn to play this game convergence to the equilibrium is not guaranteed, for example we find cooperative behaviour if players discount observations in the distant past. When agents use small samples of observed moves to estimate their opponent's strategy the learning process is stochastic, and sustained oscillations between cooperation and defection can emerge. These cycles are similar to those found in stochastic evolutionary processes, but the origin of the noise sustaining the oscillations is different and lies in the imperfect sampling of the opponent's strategy. Based on a systematic expansion technique, we are able to predict the properties of these learning cycles, providing an analytical tool with which the outcome of more general stochastic adaptation processes can be characterised.

  15. Improving aquatic warbler population assessments by accounting for imperfect detection.

    PubMed

    Oppel, Steffen; Marczakiewicz, Piotr; Lachmann, Lars; Grzywaczewski, Grzegorz

    2014-01-01

    Monitoring programs designed to assess changes in population size over time need to account for imperfect detection and provide estimates of precision around annual abundance estimates. Especially for species dependent on conservation management, robust monitoring is essential to evaluate the effectiveness of management. Many bird species of temperate grasslands depend on specific conservation management to maintain suitable breeding habitat. One such species is the Aquatic Warbler (Acrocephalus paludicola), which breeds in open fen mires in Central Europe. Aquatic Warbler populations have so far been assessed using a complete survey that aims to enumerate all singing males over a large area. Because this approach provides no estimate of precision and does not account for observation error, detecting moderate population changes is challenging. From 2011 to 2013 we trialled a new line transect sampling monitoring design in the Biebrza valley, Poland, to estimate abundance of singing male Aquatic Warblers. We surveyed Aquatic Warblers repeatedly along 50 randomly placed 1-km transects, and used binomial mixture models to estimate abundances per transect. The repeated line transect sampling required 150 observer days, and thus less effort than the traditional 'full count' approach (175 observer days). Aquatic Warbler abundance was highest at intermediate water levels, and detection probability varied between years and was influenced by vegetation height. A power analysis indicated that our line transect sampling design had a power of 68% to detect a 20% population change over 10 years, whereas raw count data had a 9% power to detect the same trend. Thus, by accounting for imperfect detection we increased the power to detect population changes. We recommend to adopt the repeated line transect sampling approach for monitoring Aquatic Warblers in Poland and in other important breeding areas to monitor changes in population size and the effects of habitat management.

  16. Correcting length-frequency distributions for imperfect detection

    USGS Publications Warehouse

    Breton, André R.; Hawkins, John A.; Winkelman, Dana L.

    2013-01-01

    Sampling gear selects for specific sizes of fish, which may bias length-frequency distributions that are commonly used to assess population size structure, recruitment patterns, growth, and survival. To properly correct for sampling biases caused by gear and other sources, length-frequency distributions need to be corrected for imperfect detection. We describe a method for adjusting length-frequency distributions when capture and recapture probabilities are a function of fish length, temporal variation, and capture history. The method is applied to a study involving the removal of Smallmouth Bass Micropterus dolomieu by boat electrofishing from a 38.6-km reach on the Yampa River, Colorado. Smallmouth Bass longer than 100 mm were marked and released alive from 2005 to 2010 on one or more electrofishing passes and removed on all other passes from the population. Using the Huggins mark–recapture model, we detected a significant effect of fish total length, previous capture history (behavior), year, pass, year×behavior, and year×pass on capture and recapture probabilities. We demonstrate how to partition the Huggins estimate of abundance into length frequencies to correct for these effects. Uncorrected length frequencies of fish removed from Little Yampa Canyon were negatively biased in every year by as much as 88% relative to mark–recapture estimates for the smallest length-class in our analysis (100–110 mm). Bias declined but remained high even for adult length-classes (≥200 mm). The pattern of bias across length-classes was variable across years. The percentage of unadjusted counts that were below the lower 95% confidence interval from our adjusted length-frequency estimates were 95, 89, 84, 78, 81, and 92% from 2005 to 2010, respectively. Length-frequency distributions are widely used in fisheries science and management. Our simple method for correcting length-frequency estimates for imperfect detection could be widely applied when mark–recapture data

  17. Tunable spin wave spectra in two-dimensional Ni{sub 80}Fe{sub 20} antidot lattices with varying lattice symmetry

    SciTech Connect

    Mandal, R.; Barman, S.; Saha, S.; Barman, A.; Otani, Y.

    2015-08-07

    Ferromagnetic antidot lattices are important systems for magnetic data storage and magnonic devices, and understanding their magnetization dynamics by varying their structural parameters is an important problems in magnetism. Here, we investigate the variation in spin wave spectrum in two-dimensional nanoscale Ni{sub 80}Fe{sub 20} antidot lattices with lattice symmetry. By varying the bias magnetic field values in a broadband ferromagnetic resonance spectrometer, we observed a stark variation in the spin wave spectrum with the variation of lattice symmetry. The simulated mode profiles showed further difference in the spatial nature of the modes between different lattices. While for square and rectangular lattices extended modes are observed in addition to standing spin wave modes, all modes in the hexagonal, honeycomb, and octagonal lattices are either localized or standing waves. In addition, the honeycomb and octagonal lattices showed two different types of modes confined within the honeycomb (octagonal) units and between two such consecutive units. Simulated internal magnetic fields confirm the origin of such a wide variation in the frequency and spatial nature of the spin wave modes. The tunability of spin waves with the variation of lattice symmetry is important for the design of future magnetic data storage and magnonic devices.

  18. A 4-fold-symmetry hexagonal ruthenium for magnetic heterostructures exhibiting enhanced perpendicular magnetic anisotropy and tunnel magnetoresistance.

    PubMed

    Wen, Zhenchao; Sukegawa, Hiroaki; Furubayashi, Takao; Koo, Jungwoo; Inomata, Koichiro; Mitani, Seiji; Hadorn, Jason Paul; Ohkubo, Tadakatsu; Hono, Kazuhiro

    2014-10-01

    A 4-fold-symmetry hexagonal Ru emerging in epitaxial MgO/Ru/Co2 FeAl/MgO heterostructures is reported, in which an approximately Ru(022¯3) growth attributes to the lattice matching between MgO, Ru, and Co2 FeAl. Perpendicular magnetic anisotropy of the Co2 FeAl/MgO interface is substantially enhanced. The magnetic tunnel junctions (MTJs) incorporating this structure give rise to the largest tunnel magnetoresistance for perpendicular MTJs using low damping Heusler alloys.

  19. The shock and spall response of three industrially important hexagonal close-packed metals: magnesium, titanium and zirconium.

    PubMed

    Hazell, P J; Appleby-Thomas, G J; Wielewski, E; Escobedo, J P

    2014-08-28

    Magnesium, titanium and zirconium and their alloys are extensively used in industrial and military applications where they would be subjected to extreme environments of high stress and strain-rate loading. Their hexagonal close-packed (HCP) crystal lattice structures present interesting challenges for optimizing their mechanical response under such loading conditions. In this paper, we review how these materials respond to shock loading via plate-impact experiments. We also discuss the relationship between a heterogeneous and anisotropic microstructure, typical of HCP materials, and the directional dependency of the elastic limit and, in some cases, the strength prior to failure.

  20. Growth and characterization of Cl-doped ZnO hexagonal nanodisks

    SciTech Connect

    Yousefi, Ramin; Zak, A.K.; Mahmoudian, M.R.

    2011-10-15

    Cl-doped ZnO nanodisks were grown on a Si(111) substrate using a thermal evaporation method. The prepared nanodisks exhibited a hexagonal shape with an average thickness of 50 nm and average diagonal of 270 nm. In addition, undoped ZnO disks with hexagonal shape were grown under the same conditions, but the sizes of these undoped ZnO disks were on the micrometer order. A possible mechanism was proposed for the growth of the Cl-doped ZnO nanodisks, and it was shown that the Cl{sup 1-} anions play a crucial role in controlling the size. X-ray diffraction and Raman spectroscopy clearly showed an extension in the crystal lattice of ZnO because of the presence of chlorine. In addition, these nanodisks produced a strong photoluminescence emission peak in the ultraviolet (UV) region and a weak peak in the green region of the electromagnetic spectrum. Furthermore, the UV peak of the Cl-doped ZnO nanodisks was blueshifted with respect to that of the undoped ZnO disks. - Graphical abstract: Cl-doped ZnO nanodisks and undoped ZnO microdisks have been grown using a thermal evaporation method. Highlights: > Cl-doped ZnO nanodisks with hexagonal shape are grown using a thermal evaporation method. > It is shown that the Cl{sup 1-} anions play a crucial role in controlling the size of the nanodisks. > XRD and Raman results showed that the Cl-doped ZnO nanodisks structure is under a biaxial stress. > UV peak of the PL spectrum is blueshifted for the Cl-doped ZnO nanodisks.

  1. Hexagonal plaquette spin-spin interactions and quantum magnetism in a two-dimensional ion crystal

    NASA Astrophysics Data System (ADS)

    Nath, R.; Dalmonte, M.; Glaetzle, A. W.; Zoller, P.; Schmidt-Kaler, F.; Gerritsma, R.

    2015-06-01

    We propose a trapped ion scheme en route to realize spin Hamiltonians on a Kagome lattice which, at low energies, are described by emergent {{{Z}}}2 gauge fields, and support a topological quantum spin liquid ground state. The enabling element in our scheme is the hexagonal plaquette spin-spin interactions in a two-dimensional ion crystal. For this, the phonon-mode spectrum of the crystal is engineered by standing-wave optical potentials or by using Rydberg excited ions, thus generating localized phonon-modes around a hexagon of ions selected out of the entire two-dimensional crystal. These tailored modes can mediate spin-spin interactions between ion-qubits on a hexagonal plaquette when subject to state-dependent optical dipole forces. We discuss how these interactions can be employed to emulate a generalized Balents-Fisher-Girvin model in minimal instances of one and two plaquettes. This model is an archetypical Hamiltonian in which gauge fields are the emergent degrees of freedom on top of the classical ground state manifold. Under realistic situations, we show the emergence of a discrete Gauss’s law as well as the dynamics of a deconfined charge excitation on a gauge-invariant background using the two-plaquettes trapped ions spin-system. The proposed scheme in principle allows further scaling in a future trapped ion quantum simulator, and we conclude that our work will pave the way towards the simulation of emergent gauge theories and quantum spin liquids in trapped ion systems.

  2. Synthesis and oxygen content dependent properties of hexagonal DyMnO[subscript 3+delta

    SciTech Connect

    Remsen, S.; Dabrowski, B.; Chmaissem, O.; Mais, J.; Szewczyk, A.

    2011-10-28

    Oxygen deficient polycrystalline samples of hexagonal P6{sub 3}cm (space group No.185) DyMnO{sub 3+{delta}} ({delta} < 0) were synthesized in Ar by intentional decomposition of its perovskite phase obtained in air. The relative stability of these phases is in accord with our previous studies of the temperature and oxygen vacancy dependent tolerance factor. Thermogravimetric measurements have shown that hexagonal samples of DyMnO{sub 3+{delta}} (0 {le} {delta} {le} 0.4) exhibit unusually large excess oxygen content, which readily incorporates on heating near 300 C in various partial-pressures of oxygen atmospheres. Neutron and synchrotron diffraction data show the presence of two new structural phases at {delta} {approx} 0.25 (Hex{sub 2}) and {delta} {approx} 0.40 (Hex{sub 3}). Rietveld refinements of the Hex{sub 2} phase strongly suggest it is well modeled by the R3 space group (No.146). These phases were observed to transform back to P6{sub 3}cm above {approx} 350 C when material becomes stoichiometric in oxygen content ({delta} = 0). Chemical expansion of the crystal lattice corresponding to these large changes of oxygen was found to be 3.48 x 10{sup -2} mol{sup -1}. Thermal expansion of stoichiometric phases were determined to be 11.6 x 10{sup -6} and 2.1 x 10{sup -6} K{sup -1} for the P6{sub 3}cm and Hex{sub 2} phases, respectively. Our measurements also indicate that the oxygen non-stoichiometry of hexagonal RMnO{sub 3+{delta}} materials may have important influence on their multiferroic properties.

  3. Synthesis and oxygen content dependent properties of hexagonal DyMnO{sub 3 + sub delta}.

    SciTech Connect

    Remsen, S.; Dabrowski, B.; Chmaissem, O.; Mais, J.; Szewczyk, A.

    2011-07-01

    Oxygen deficient polycrystalline samples of hexagonal P6{sub 3}cm (space group No.185) DyMnO{sub 3+{delta}} ({delta} < 0) were synthesized in Ar by intentional decomposition of its perovskite phase obtained in air. The relative stability of these phases is in accord with our previous studies of the temperature and oxygen vacancy dependent tolerance factor. Thermogravimetric measurements have shown that hexagonal samples of DyMnO{sub 3+{delta}} (0 {<=} {delta} {<=} 0.4) exhibit unusually large excess oxygen content, which readily incorporates on heating near 300 C in various partial-pressures of oxygen atmospheres. Neutron and synchrotron diffraction data show the presence of two new structural phases at {delta} {approx} 0.25 (Hex{sub 2}) and {delta} {approx} 0.40 (Hex{sub 3}). Rietveld refinements of the Hex{sub 2} phase strongly suggest it is well modeled by the R3 space group (No.146). These phases were observed to transform back to P6{sub 3}cm above {approx}350 C when material becomes stoichiometric in oxygen content ({delta} = 0). Chemical expansion of the crystal lattice corresponding to these large changes of oxygen was found to be 3.48 x 10{sup -2} mol{sup -1}. Thermal expansion of stoichiometric phases were determined to be 11.6 x 10{sup -6} and 2.1 x 10{sup -6} K{sup -1} for the P6{sub 3}cm and Hex{sub 2} phases, respectively. Our measurements also indicate that the oxygen non-stoichiometry of hexagonal RMnO{sub 3+{delta}} materials may have important influence on their multiferroic properties.

  4. Fluorescent Defects in Hexagonal Boron Nitride

    NASA Astrophysics Data System (ADS)

    Exarhos, Annemarie L.; Oser, Kameron; Hopper, David A.; Grote, Richard R.; Bassett, Lee C.

    Mono- and few-layer hexagonal boron nitride (h-BN) can host defects whose electronic states lie deep within the bandgap, similar to the nitrogen-vacancy color center in bulk diamond. Here, we study defect creation in h-BN through irradiation and thermal annealing. We employ confocal photoluminescence (PL) imaging and spectroscopy under various excitation energies on both supported and suspended h-BN to identify and characterize the emission of isolated defect centers. Polarization- and temperature-dependent measurements of the observed PL are used to map out the electronic structure of the defects, enabling optical control of fluorescent defects in h-BN. This knowledge, coupled with the spatial confinement to 2D and the unique electrical, optical, and mechanical properties of h-BN, will enable the use of these defects for quantum sensing and other applications in quantum information processing. Work supported by the ARO (W911NF-15-1-0589) and NSF MRSEC (DMR-1120901).

  5. Hexagonal boron-nitride nanomesh magnets

    NASA Astrophysics Data System (ADS)

    Ohata, C.; Tagami, R.; Nakanishi, Y.; Iwaki, R.; Nomura, K.; Haruyama, J.

    2016-09-01

    The formation of magnetic and spintronic devices using two-dimensional (2D) atom-thin layers has attracted attention. Ferromagnetisms (FMs) arising from zigzag-type atomic structure of edges of 2D atom-thin materials have been experimentally observed in graphene nanoribbons, hydrogen (H)-terminated graphene nanomeshes (NMs), and few-layer oxygen (O)-terminated black phosphorus NMs. Herein, we report room-temperature edge FM in few-layer hexagonal boron-nitride (hBN) NMs. O-terminated hBNNMs annealed at 500 °C show the largest FM, while it completely disappears in H-terminated hBNNMs. When hBNNMs are annealed at other temperatures, amplitude of the FM significantly decreases. These are highly in contrast to the case of graphene NMs but similar to the cases of black phosphorus NM and suggest that the hybridization of the O atoms with B(N) dangling bonds of zigzag pore edges, formed at the 500 °C annealing, strongly contribute to this edge FM. Room-temperature FM realizable only by exposing hBNNMs into air opens the way for high-efficiency 2D flexible magnetic and spintronic devices without the use of rare magnetic elements.

  6. Hyperbolic phonon polaritons in hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Dai, Siyuan

    2015-03-01

    Uniaxial materials whose axial and tangential permittivities have opposite signs are referred to as indefinite or hyperbolic media. While hyperbolic responses are normally achieved with metamaterials, hexagonal boron nitride (hBN) naturally possesses this property due to the anisotropic phonons in the mid-infrared. Using scattering-type scanning near-field optical microscopy, we studied polaritonic phenomena in hBN. We performed infrared nano-imaging of highly confined and low-loss hyperbolic phonon polaritons in hBN. The polariton wavelength was shown to be governed by the hBN thickness according to a linear law persisting down to few atomic layers [Science, 343, 1125-1129 (2014)]. Additionally, we carried out the modification of hyperbolic response in heterostructures comprised of a mononlayer graphene deposited on hBN. Electrostatic gating of the top graphene layer allows for the modification of wavelength and intensity of hyperbolic phonon polaritons in bulk hBN. The physics of the modification originates from the plasmon-phonon coupling in the hyperbolic medium. Furthermore, we demonstrated the ``hyperlens'' for subdiffractional imaging and focusing using a slab of hBN.

  7. Bootstrapping the Three-Loop Hexagon

    SciTech Connect

    Dixon, Lance J.; Drummond, James M.; Henn, Johannes M.; /Humboldt U., Berlin /Santa Barbara, KITP

    2011-11-08

    We consider the hexagonal Wilson loop dual to the six-point MHV amplitude in planar N = 4 super Yang-Mills theory. We apply constraints from the operator product expansion in the near-collinear limit to the symbol of the remainder function at three loops. Using these constraints, and assuming a natural ansatz for the symbol's entries, we determine the symbol up to just two undetermined constants. In the multi-Regge limit, both constants drop out from the symbol, enabling us to make a non-trivial confirmation of the BFKL prediction for the leading-log approximation. This result provides a strong consistency check of both our ansatz for the symbol and the duality between Wilson loops and MHV amplitudes. Furthermore, we predict the form of the full three-loop remainder function in the multi-Regge limit, beyond the leading-log approximation, up to a few constants representing terms not detected by the symbol. Our results confirm an all-loop prediction for the real part of the remainder function in multi-Regge 3 {yields} 3 scattering. In the multi-Regge limit, our result for the remainder function can be expressed entirely in terms of classical polylogarithms. For generic six-point kinematics other functions are required.

  8. Penta-hepta defect motion in hexagonal patterns

    SciTech Connect

    Tsimring, L.S.

    1995-05-22

    The structure and dynamics of penta-hepta defects (PHD`s) in hexagonal patterns are studied in the framework of coupled amplitude equations for the underlying plane waves. An analytical solution for the phase field of moving PHD is found in the far field, which generalizes the static solution due to Pismen and Nepomnyashchy. The mobility tensor of the PHD is calculated using a combined analytical and numerical approach. The results for the velocity of a PHD climbing in slightly nonoptimal hexagonal patterns are compared with numerical simulations of amplitude equations. The interaction of penta-hepta defects in optimal hexagonal patterns is considered.

  9. Defect Chaos of Oscillating Hexagons in Rotating Convection

    SciTech Connect

    Echebarria, Blas; Riecke, Hermann

    2000-05-22

    Using coupled Ginzburg-Landau equations, the dynamics of hexagonal patterns with broken chiral symmetry are investigated, as they appear in rotating non-Boussinesq or surface-tension-driven convection. We find that close to the secondary Hopf bifurcation to oscillating hexagons the dynamics are well described by a single complex Ginzburg-Landau equation (CGLE) coupled to the phases of the hexagonal pattern. At the band center these equations reduce to the usual CGLE and the system exhibits defect chaos. Away from the band center a transition to a frozen vortex state is found. (c) 2000 The American Physical Society.

  10. Grain size effect on magnetic and dielectric properties of hexagonal YbMnO3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Han, Tai-Chun; Hsu, Hsin-Kai; Chu, Yih-Tsyr; Hu, Yu-Min

    2015-05-01

    We have synthesized a series of YbMnO3 nanoparticles with different grain sizes (25-450 nm) and study the effect of grain size on their structural, magnetic, and dielectric properties. The YbMnO3 nanoparticles crystallized in hexagonal perovskite-type structure. It shows that magnetic and dielectric properties are strongly dependent on the grain size. The magnetic characterization indicates that with increasing grain size, the antiferromagnetic (AFM) transition temperature increases from 70 to 86 K. A corresponding shift in the peak-positions of dielectric anomaly and AFM transition temperature is observed, indicating a strong correlation between the magnetic ordering and the electric polarization. As evidenced by the variation in the ab-plane lattice parameters and Mn-O bond lengths, the AFM interactions and dielectric anomalies of YbMnO3 can be effectively modulated by varying grain size.

  11. Theoretical prediction of low-density hexagonal ZnO hollow structures

    NASA Astrophysics Data System (ADS)

    Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi; Tuan, Le Manh

    2016-10-01

    Along with wurtzite and zinc blende, zinc oxide (ZnO) has been found in a large number of polymorphs with substantially different properties and, hence, applications. Therefore, predicting and synthesizing new classes of ZnO polymorphs are of great significance and have been gaining considerable interest. Herein, we perform a density functional theory based tight-binding study, predicting several new series of ZnO hollow structures using the bottom-up approach. The geometry of the building blocks allows for obtaining a variety of hexagonal, low-density nanoporous, and flexible ZnO hollow structures. Their stability is discussed by means of the free energy computed within the lattice-dynamics approach. Our calculations also indicate that all the reported hollow structures are wide band gap semiconductors in the same fashion with bulk ZnO. The electronic band structures of the ZnO hollow structures are finally examined in detail.

  12. 49 CFR 192.713 - Transmission lines: Permanent field repair of imperfections and damages.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Maintenance § 192.713 Transmission lines: Permanent field repair of imperfections and damages. (a) Each imperfection or damage that impairs the serviceability of pipe in a steel transmission line operating at or... 49 Transportation 3 2010-10-01 2010-10-01 false Transmission lines: Permanent field repair...

  13. Dis How It Does Go: The Organisation of Imperfective Aspect in Urban Bahamian Creole English

    ERIC Educational Resources Information Center

    Seymour, Kendra Chanti Nicolette

    2009-01-01

    This dissertation examines the Imperfective aspectual system of urban Bahamian Creole English (BahE), a mesolectal creole spoken in The Bahamas. Specifically, following Comrie (1976) I examine three Imperfective aspectual categories in the creole--continuous progressiveness (variable auxiliary "be" use with V- "ing" verbs and verbs in future…

  14. Effects of the Interfering Harmonics Caused by Imperfect Data Streams on BPSK and QPSK Receivers

    NASA Technical Reports Server (NTRS)

    Nguyen, T. M.; Yeh, H-G.

    1994-01-01

    One of the most pernicious cause for spurious emission and performance degradation in space telemetry systems is the imperfect data stream at the input of the modulator. The imperfection of the data stream can be caused by impalance between -1s and +1s (unbalanced data) and/or by data asymmetry.

  15. Preparation and characterization of hexagonal MnTe and ZnO layers

    NASA Astrophysics Data System (ADS)

    Przedziecka, E.; Kamiska, E.; Dynowska, E.; Butkut, R.; Dobrowolski, W.; Kpa, H.; Jakiela, R.; Aleszkiewicz, M.; Usakowska, E.; Janik, E.; Kossut, J.

    2005-02-01

    MnTe layers of high crystalline quality were grown on Al2O3 substrates (0001)-oriented by molecular beam epitaxy (MBE). Characterization of MnTe by X-ray diffraction (XRD) revealed a hexagonal structure of NiAs-type with lattice parameters a = 4.166 Å and c = 6.694 Å. The energy gap of MnTe, evaluated from the optical transmission spectra measured at 10 K, was found to be 1.7 eV. The Néel temperature obtained from neutron diffraction (ND) measurements was 284.1 K. ZnO:N layers were fabricated by thermal oxidation of metallic Zn and ZnTe grown by MBE on different substrates. In order to achieve p-type conductivity, the starting materials were doped by nitrogen. The XRD spectra of the oxidized samples showed peaks related to hexagonal ZnO. The Hall measurements demonstrated p-type conductivity with the hole concentration of 2.2 × 1019 cm-3 and 6.7 × 1017 cm-3 for ZnO:N deposited on GaAs and ZnTe, respectively.

  16. Grain-boundary structures in hexagonal materials: Coincident and near coincident grain boundaries

    NASA Astrophysics Data System (ADS)

    Farkas, Diana

    1994-07-01

    Embedded atom method (EAM) simulations of the structure of grain boundaries in hexagonal metals are presented. The simulations use recently developed interatomic potentials for Ti and Co. Structures were calculated for various symmetrical tilt boundaries with the [1¯100] tilt axis. The structures obtained for both metals are very similar. The energies for the Co boundaries are higher than those for Ti by a factor of 2. The structural unit model was applied to the computed grain-boundary structures in these hexagonal materials. As in cubic materials, the structural unit model can describe a series of symmetrical tilt coincident boundaries. In addition, when the coincidence ratio in the grain-boundary plane varies with the c/a ratio, a structural unit-type model can describe the variation of grain-boundary structure with c/a ratio. This model is adequate for describing series of symmetrical tilt boundaries with the grain-boundary plane oriented perpendicular to a fixed crystallographic direction and varying c/a ratios. For the structures of the so-called near coincident boundaries that appear in these materials, it was concluded that near coincident boundaries behave similarly to exact coincidence boundaries if there is a coincident periodic structure in the grain-boundary plane. This may occur even without a three-dimensional (3-D) coincident site lattice.

  17. Structural, electronic and optical properties of hexagonal TaN compound

    NASA Astrophysics Data System (ADS)

    Chen, Zhongjun; Yan, Jungan; Kuang, Zhong; Chen, Taihong; Li, Dehua

    2016-01-01

    Structural and electronic properties of hexagonal Tantalum nitride (TaN) in CoSn and WC structures are studied using the first-principle calculations. Lattice constants and electronic band structures are in an excellent agreement with the available experimental and other theoretical values. TaN in both structures studied has a metallic nature and a strong hybridization of Ta 5d and N 2p are found from the spin density of states (DOS). Meanwhile, our LSDA+U calculations predicted a strong ferromagnetic state for CoSn-type structure and an obvious paramagnetic nature for WC-type structure. No phase transition are observed within cubic and hexagonal CoSn and WC structures under high pressures. Our results show WC-type TaN is the calculated ground-state structure among the three crystallographic structures studied under 120 GPa. Optical properties show that TaN in CoSn-type structure is a better dielectric material.

  18. Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin

    NASA Astrophysics Data System (ADS)

    Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha

    2016-08-01

    Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar ‘d’ spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets.

  19. Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin

    PubMed Central

    Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha

    2016-01-01

    Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar ‘d’ spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets. PMID:27492139

  20. Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin.

    PubMed

    Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha

    2016-08-05

    Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar 'd' spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets.

  1. Supersymmetry on the lattice

    NASA Astrophysics Data System (ADS)

    Bergner, Georg; Catterall, Simon

    2016-08-01

    We discuss the motivations, difficulties and progress in the study of supersymmetric lattice gauge theories focusing in particular on 𝒩 = 1 and 𝒩 = 4 super-Yang-Mills in four dimensions. Brief reviews of the corresponding lattice formalisms are given and current results are presented and discussed. We conclude with a summary of the main aspects of current work and prospects for the future.

  2. Laterally closed lattice homomorphisms

    NASA Astrophysics Data System (ADS)

    Toumi, Mohamed Ali; Toumi, Nedra

    2006-12-01

    Let A and B be two Archimedean vector lattices and let be a lattice homomorphism. We call that T is laterally closed if T(D) is a maximal orthogonal system in the band generated by T(A) in B, for each maximal orthogonal system D of A. In this paper we prove that any laterally closed lattice homomorphism T of an Archimedean vector lattice A with universal completion Au into a universally complete vector lattice B can be extended to a lattice homomorphism of Au into B, which is an improvement of a result of M. Duhoux and M. Meyer [M. Duhoux and M. Meyer, Extended orthomorphisms and lateral completion of Archimedean Riesz spaces, Ann. Soc. Sci. Bruxelles 98 (1984) 3-18], who established it for the order continuous lattice homomorphism case. Moreover, if in addition Au and B are with point separating order duals (Au)' and B' respectively, then the laterally closedness property becomes a necessary and sufficient condition for any lattice homomorphism to have a similar extension to the whole Au. As an application, we give a new representation theorem for laterally closed d-algebras from which we infer the existence of d-algebra multiplications on the universal completions of d-algebras.

  3. Parametric Study on the Response of Compression-Loaded Composite Shells With Geometric and Material Imperfections

    NASA Technical Reports Server (NTRS)

    Hilburger, Mark W.; Starnes, James H., Jr.

    2004-01-01

    The results of a parametric study of the effects of initial imperfections on the buckling and postbuckling response of three unstiffened thinwalled compression-loaded graphite-epoxy cylindrical shells with different orthotropic and quasi-isotropic shell-wall laminates are presented. The imperfections considered include initial geometric shell-wall midsurface imperfections, shell-wall thickness variations, local shell-wall ply-gaps associated with the fabrication process, shell-end geometric imperfections, nonuniform applied end loads, and variations in the boundary conditions including the effects of elastic boundary conditions. A high-fidelity nonlinear shell analysis procedure that accurately accounts for the effects of these imperfections on the nonlinear responses and buckling loads of the shells is described. The analysis procedure includes a nonlinear static analysis that predicts stable response characteristics of the shells and a nonlinear transient analysis that predicts unstable response characteristics.

  4. Analytical and numerical modeling of non-collinear shear wave mixing at an imperfect interface.

    PubMed

    Zhang, Ziyin; Nagy, Peter B; Hassan, Waled

    2016-02-01

    Non-collinear shear wave mixing at an imperfect interface between two solids can be exploited for nonlinear ultrasonic assessment of bond quality. In this study we developed two analytical models for nonlinear imperfect interfaces. The first model uses a finite nonlinear interfacial stiffness representation of an imperfect interface of vanishing thickness, while the second model relies on a thin nonlinear interphase layer to represent an imperfect interface region. The second model is actually a derivative of the first model obtained by calculating the equivalent interfacial stiffness of a thin isotropic nonlinear interphase layer in the quasi-static approximation. The predictions of both analytical models were numerically verified by comparison to COMSOL finite element simulations. These models can accurately predict the additional nonlinearity caused by interface imperfections based on the strength of the reflected and transmitted mixed longitudinal waves produced by them under non-collinear shear wave interrogation. PMID:26482394

  5. Hexagonal nanorods of tungsten trioxide: Synthesis, structure, electrochemical properties and activity as supporting material in electrocatalysis

    NASA Astrophysics Data System (ADS)

    Salmaoui, Samiha; Sediri, Faouzi; Gharbi, Néji; Perruchot, Christian; Aeiyach, Salah; Rutkowska, Iwona A.; Kulesza, Pawel J.; Jouini, Mohamed

    2011-07-01

    Tungsten trioxide, unhydrated with hexagonal structure (h-WO 3), has been prepared by hydrothermal method at a temperature of 180 °C in acidified sodium tungstate solution. Thus prepared h-WO 3 has been characterized by X-ray diffraction (XRD) method and using electrochemical techniques. The morphology has been examined by scanning and transmission electron microscopies (SEM and TEM) and it is consistent with existence of nanorods of 50-70 nm diameter and up to 5 μm length. Cyclic voltammetric characterization of thin films of h-WO 3 nanorods has revealed reversible redox behaviour with charge-discharge cycling corresponding to the reversible lithium intercalation/deintercalation into the crystal lattice of the h-WO 3 nanorods. In propylene carbonate containing LiClO 4, two successive redox processes of hexagonal WO 3 nanorods are observed at the scan rate of 50 mV/s. Such behaviour shall be attributed to the presence of at least two W atoms of different surroundings in the lattice structure of h-WO 3 nanorods. On the other hand, in aqueous LiClO 4 solution, only one redox process is observed at the scan rate of 10 mV/s. The above observations can be explained in terms of differences in the diffusion of ions inside two types of channel cavities existing in the structure of the h-WO 3 nanorods. Moreover, the material can be applied as active support for the catalytic bi-metallic Pt-Ru nanoparticles during electrooxidation of ethanol in acid medium (0.5 mol dm -3 H 2SO 4).

  6. THE EMMA LATTICE DESIGN

    SciTech Connect

    BERG,J.S.; RUGGIERO, A.; MACHIDA, S.; KOSCIELNIAK, S.

    2007-06-25

    EMMA is a 10 to 20 MeV electron ring designed to test our understanding of beam dynamics in a relativistic linear non-scaling fixed field alternating gradient accelerator (FFAG). This paper describes the design of the EMMA lattice. We begin with a summary of the experimental goals that impact the lattice design, and then outline what motivated the choice for the basic lattice parameters, such as the type of cells, the number of cells, and the RF frequency. We next list the different configurations that we wish to operate the machine in so as to accomplish our experimental goals. Finally, we enumerate the detailed lattice parameters, showing how these parameters result from the various lattice configurations.

  7. Adaptive bimaterial lattices to mitigate thermal expansion mismatch stresses in satellite structures

    NASA Astrophysics Data System (ADS)

    Toropova, Marina M.; Steeves, Craig A.

    2015-08-01

    Earth-orbiting satellites regularly pass from sunlight to shade and back; these transitions are typically accompanied by significant temperature changes. When adjoining parts of a satellite that are made of different materials are subjected to large temperature changes, thermal mismatch stresses arise that are a function of the temperature change and the difference in coefficients of thermal expansion (CTEs) between the two materials. These thermal stresses are linked to undesirable deformation and, through long-term cycling, fatigue and failure of the structure. This paper describes a type of anisotropic lattice that can serve as a stress-free adaptor between two materials, eliminating thermal mismatch stresses and their concomitant consequences. The lattices consist of planar nonidentical anisotropic bimaterial cells, each designed based on a virtual triangle. Physically the cells consist of a triangle made of material with higher CTE surrounded by a hexagon made of material with lower CTE. Different skew angles of the hexagon make a particular cell and the whole lattice anisotropic. The cells can be designed and combined in a lattice in such a way that one edge of the lattice has CTE that coincides with the CTE of the first part of the structure (substrate 1), while the other edge of the lattice has CTE equal to the CTE of the second part of the structure (substrate 2). If all joints between the parts of each cell, neighbouring cells, and the lattice and the substrates are pinned, the whole structure will be free of thermal stresses. This paper will discuss the fundamental principles governing such lattices, their refinement for special circumstances, and opportunities for improving the structural performance of the lattices. This will be presented coupled to a rational strategy for lattice design.

  8. Optoelectronic properties of hexagonal boron nitride epilayers

    NASA Astrophysics Data System (ADS)

    Cao, X. K.; Majety, S.; Li, J.; Lin, J. Y.; Jiang, H. X.

    2013-01-01

    This paper summarizes recent progress primarily achieved in authors' laboratory on synthesizing hexagonal boron nitride (hBN) epilayers by metal organic chemical vapor deposition (MCVD) and studies of their structural and optoelectronic properties. The structural and optical properties of hBN epilayers have been characterized by x-ray diffraction (XRD) and photoluminescence (PL) studies and compared to the better understood wurtzite AIN epilayers with a comparable energy bandgap. These MOCVD grown hBN epilayers exhibit highly efficient band-edge PL emission lines centered at around 5.5 eVat room temperature. The band-edge emission of hBN is two orders of magnitude higher than that of high quality AlN epilayers. Polarization-resolved PL spectroscopy revealed that hEN epilayers are predominantly a surface emission material, in which the band-edge emission with electric field perpendicular to the c-axis (Eemi⊥c) is about 1.7 times stronger than the component along the c-axis (Eemillc). This is in contrast to AIN, in which the band­ edge emission is known to be polarized along the c-axis, (Eemillc). Based on the graphene optical absorption concept, the estimated band-edge absorption coefficient of hBN is about 7x105 cm-1, which is more than 3 times higher than the value for AlN (~2x105 cm-1 . The hBN epilayer based photodetectors exhibit a sharp cut-off wavelength around 230 nm, which coincides with the band-edge PL emission peak and virtually no responses in the long wavelengths. The dielectric strength of hBN epilayers exceeds that of AlN and is greater than 4.5 MV/cm based on the measured result for an hBN epilayer released from the host sapphire substrate.

  9. Structurally imperfect glycine-containing ferroelectrics and their physical properties

    NASA Astrophysics Data System (ADS)

    Khasinevich, N. I.; Chesnokov, E. D.; Tarasevich, E. V.; Rodin, S. V.

    The study is concerned with the effect of substitutional and growth defects on the physical properties of diglycine nitrate crystals, which belong to the triglycine sulfate group of ferroelectric crystals. In particular, experimental data are presented on the temperature dependences of the piezoelectric moduli, elastic compliances, electromechanical coupling coefficients, and electrostriction coefficients of pure and alanine-alloyed crystals. The permittivity and the nuclear spin-lattice relaxation time of the crystals are also determined.

  10. A realistic lattice example

    SciTech Connect

    Courant, E.D.; Garren, A.A.

    1985-10-01

    A realistic, distributed interaction region (IR) lattice has been designed that includes new components discussed in the June 1985 lattice workshop. Unlike the test lattices, the lattice presented here includes utility straights and the mechanism for crossing the beams in the experimental straights. Moreover, both the phase trombones and the dispersion suppressors contain the same bending as the normal cells. Vertically separated beams and 6 Tesla, 1-in-1 magnets are assumed. Since the cells are 200 meters long, and have 60 degree phase advance, this lattice has been named RLD1, in analogy with the corresponding test lattice, TLD1. The quadrupole gradient is 136 tesla/meter in the cells, and has similar values in other quadrupoles except in those in the IR`s, where the maximum gradient is 245 tesla/meter. RLD1 has distributed IR`s; however, clustered realistic lattices can easily be assembled from the same components, as was recently done in a version that utilizes the same type of experimental and utility straights as those of RLD1.

  11. Superalloy Lattice Block Structures

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. D.; Nathal, M. V.; Hebsur, M. G.; Kraus, D. L.

    2003-01-01

    In their simplest form, lattice block panels are produced by direct casting and result in lightweight, fully triangulated truss-like configurations which provide strength and stiffness [2]. The earliest realizations of lattice block were made from A1 and steels, primarily under funding from the US Navy [3]. This work also showed that the mechanical efficiency (eg., specific stiffness) of lattice block structures approached that of honeycomb structures [2]. The lattice architectures are also less anisotropic, and the investment casting route should provide a large advantage in cost and temperature capability over honeycombs which are limited to alloys that can be processed into foils. Based on this early work, a program was initiated to determine the feasibility of extending the high temperature superalloy lattice block [3]. The objective of this effort was to provide an alternative to intermetallics and composites in achieving a lightweight high temperature structure without sacrificing the damage tolerance and moderate cost inherent in superalloys. To establish the feasibility of the superalloy lattice block concept, work was performed in conjunction with JAMCORP, Inc. Billerica, MA, to produce a number of lattice block panels from both IN71 8 and Mar-M247.

  12. Resonant x-ray scattering from a skyrmion lattice

    NASA Astrophysics Data System (ADS)

    Roy, S.; Langner, M. C.; Mishra, S. K.; Lee, J. C. T.; Shi, X. W.; Hossain, M. A.; Chuang, Y.-D.; Kevan, S. D.; Schoenlein, R. W.; Seki, S.; Tokura, Y.

    2014-03-01

    Topologically protected novel phases in condensed matter systems are a current research topic of tremendous interest due to both the unique physics and their potential in device applications. Skyrmions are a topological phase that in magnetic systems manifest as a hexagonal lattice of spin-swirls. We report the first observation of the skyrmion lattice using resonant soft x-ray diffraction in Cu2OSeO3, a cubic insulator that exhibits degenerate helical magnetic structures along <100> axes in zero magnetic field. Within a narrow window of temperature and applied magnetic field we observed the six fold symmetric satellite peaks due to the skyrmion lattice around the (001) lattice Bragg peak. As a function of incident photon energy a rotational splitting of the skyrmion satellite peaks was observed that we ascribe to the two Cu sublattices of Cu2OSeO3, with different magnetically active orbitals. The splitting implies a long wavelength modulation of the skyrmion lattice. Work supported by U.S. DOE.

  13. The effect of hydrostatic pressure on the physical properties of magnesium arsenide in cubic and hexagonal phases

    NASA Astrophysics Data System (ADS)

    Mokhtari, Ali; Sedighi, Matin

    2010-04-01

    Full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT) was applied to study the structural and electronic properties of the magnesium arsenide in both cubic and hexagonal phases. The exchange-correlation functional was approximated as a generalized gradient functional introduced by Perdew-Burke-Ernzerhof (GGA96) and Engel-Vosko (EV-GGA). The lattice parameters, bulk modulus and its pressure derivative, cohesive energy, band structures and effective mass of electrons and holes (EME and EMH) were obtained and compared to the available experimental and theoretical results. A phase transition was predicted at pressure of about 1.63 GPa from the cubic to the hexagonal phase. The effect of hydrostatic pressure on the behavior of the electronic properties such as band gap, valence bandwidths, anti-symmetry gap (the energy gap between two parts of the valence bands), EME and EMH were investigated using both GGA96 and EV-GGA methods. High applied pressure can decrease (increase) the holes mobility of cubic (hexagonal) phase of this compound.

  14. Non-random cation distribution in hexagonal Al 0.5Ga 0.5PO 4

    NASA Astrophysics Data System (ADS)

    Kulshreshtha, S. K.; Jayakumar, O. D.; Sudarsan, V.

    2010-05-01

    Based on powder X-ray diffraction and 31P Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) investigations of mixed phosphate Al 0.5Ga 0.5PO 4, prepared by co-precipitation method followed by annealing at 900 °C for 24 h, it is shown that Al 0.5Ga 0.5PO 4 phase crystallizes in hexagonal form with lattice parameter a=0.491(2) and c=1.106(4) nm. This hexagonal phase of Al 0.5Ga 0.5PO 4 is similar to that of pure GaPO 4. The 31P MAS NMR spectrum of the mixed phosphate sample consists of five peaks with systematic variation of their chemical shift values and is arising due to existence of P structural units having varying number of the Al 3+/Ga 3+ cations as the next nearest neighbors in the solid solution. Based on the intensity analysis of the component NMR spectra of Al 0.5Ga 0.5PO 4, it is inferred that the distribution of Al 3+ and Ga 3+ cations is non-random for the hexagonal Al 0.5Ga 0.5PO 4 sample although XRD patterns showed a well-defined solid solution formation.

  15. Spin-lattice coupling in iron jarosite

    SciTech Connect

    Buurma, A.J.C.; Handayani, I.P.; Mufti, N.; Blake, G.R.; Loosdrecht, P.H.M. van; Palstra, T.T.M.

    2012-11-15

    We have studied the magnetoelectric coupling of the frustrated triangular antiferromagnet iron jarosite using Raman spectroscopy, dielectric measurements and specific heat. Temperature dependent capacitance measurements show an anomaly in the dielectric constant at T{sub N}. Specific heat data indicate the presence of a low frequency Einstein mode at low temperature. Raman spectroscopy confirms the presence of a new mode below T{sub N} that can be attributed to folding of the Brillouin zone. This mode shifts and sharpens below T{sub N}. We evaluate the strength of the magnetoelectric coupling using the symmetry unrestricted biquadratic magnetoelectric terms in the free energy. - Graphical abstract: Sketch of two connected triangles formed by Fe{sup 3+} spins (red arrows) in the hexagonal basal plane of potassium iron jarosite. An applied magnetic field (H) below the antiferromagnetic ordering temperature induces shifts of the hydroxy ligands, giving rise to local electrical dipole moments (blue arrows). These electric displacements cancel out in pairwise fashion by symmetry. Ligand shifts are confined to the plane and shown by shadowing. Highlights: Black-Right-Pointing-Pointer Evidence has been found for spin-lattice coupling in iron jarosite. Black-Right-Pointing-Pointer A new optical Raman mode appears below T{sub N} and shifts with temperature. Black-Right-Pointing-Pointer The magnetodielectric coupling is mediated by superexchange. Black-Right-Pointing-Pointer Symmetry of Kagome magnetic lattice causes local electrical dipole moments to cancel.

  16. Synthesis of Optimal and Imperfect Main Chain Smectic Elastomers

    NASA Astrophysics Data System (ADS)

    Patil, Harshad; Hedden, Ronald

    2007-03-01

    Liquid crystalline polymers (LCPs) and elastomers (LCEs) are mesomorphic polymers that exhibit unique rheological characteristics. Smectic LCE, rubber-like materials which exhibit lamellar mesophases, exhibit high values of the mechanical loss factor (tan delta) over several decades of frequency. We are designing a model LCE system for study of the underlying molecular-level relaxation mechanisms responsible for this broad spectrum of relaxation times. We seek to distinguish to what extent the dynamic evolution of defects (e.g. focal conic defects and dislocations) contributes to the broad loss spectrum, as opposed to other ordinary processes such as relaxation of dangling and free chains. We are studying main chain, smectic LCPs and LCEs consisting of alternating flexible siloxane segments and mesogens. Elastomers are prepared by a three-monomer (A2 + B2 + A4) non-linear polycondensation. Synthetic methods are needed to prepare ``optimal'' and ``imperfect'' networks by introducing controlled amounts of dangling and free chains, and to control the phase behavior of the networks through mesogen chemical structure and crosslinking. Dynamic mechanical behavior of model networks, in conjunction with X-ray and neutron scattering studies, will distinguish the underlying physical processes responsible for the broad loss spectrum in smectic LCE.

  17. Modeling species occurrence dynamics with multiple states and imperfect detection

    USGS Publications Warehouse

    MacKenzie, D.I.; Nichols, J.D.; Seamans, M.E.; Gutierrez, R.J.

    2009-01-01

    Recent extensions of occupancy modeling have focused not only on the distribution of species over space, but also on additional state variables (e.g., reproducing or not, with or without disease organisms, relative abundance categories) that provide extra information about occupied sites. These biologist-driven extensions are characterized by ambiguity in both species presence and correct state classification, caused by imperfect detection. We first show the relationships between independently published approaches to the modeling of multistate occupancy. We then extend the pattern-based modeling to the case of sampling over multiple seasons or years in order to estimate state transition probabilities associated with system dynamics. The methodology and its potential for addressing relevant ecological questions are demonstrated using both maximum likelihood (occupancy and successful reproduction dynamics of California Spotted Owl) and Markov chain Monte Carlo estimation approaches (changes in relative abundance of green frogs in Maryland). Just as multistate capture-recapture modeling has revolutionized the study of individual marked animals, we believe that multistate occupancy modeling will dramatically increase our ability to address interesting questions about ecological processes underlying population-level dynamics. ?? 2009 by the Ecological Society of America.

  18. Modeling species occurrence dynamics with multiple states and imperfect detection.

    PubMed

    MacKenzie, Darryl I; Nichols, James D; Seamans, Mark E; Gutiérrez, R J

    2009-03-01

    Recent extensions of occupancy modeling have focused not only on the distribution of species over space, but also on additional state variables (e.g., reproducing or not, with or without disease organisms, relative abundance categories) that provide extra information about occupied sites. These biologist-driven extensions are characterized by ambiguity in both species presence and correct state classification, caused by imperfect detection. We first show the relationships between independently published approaches to the modeling of multistate occupancy. We then extend the pattern-based modeling to the case of sampling over multiple seasons or years in order to estimate state transition probabilities associated with system dynamics. The methodology and its potential for addressing relevant ecological questions are demonstrated using both maximum likelihood (occupancy and successful reproduction dynamics of California Spotted Owl) and Markov chain Monte Carlo estimation approaches (changes in relative abundance of green frogs in Maryland). Just as multistate capture-recapture modeling has revolutionized the study of individual marked animals, we believe that multistate occupancy modeling will dramatically increase our ability to address interesting questions about ecological processes underlying population-level dynamics. PMID:19341151

  19. A comparative analysis of the evolution of imperfect mimicry.

    PubMed

    Penney, Heather D; Hassall, Christopher; Skevington, Jeffrey H; Abbott, Kevin R; Sherratt, Thomas N

    2012-03-21

    Although exceptional examples of adaptation are frequently celebrated, some outcomes of natural selection seem far from perfect. For example, many hoverflies (Diptera: Syrphidae) are harmless (Batesian) mimics of stinging Hymenoptera. However, although some hoverfly species are considered excellent mimics, other species bear only a superficial resemblance to their models and it is unclear why this is so. To evaluate hypotheses that have been put forward to explain interspecific variation in the mimetic fidelity of Palearctic Syrphidae we use a comparative approach. We show that the most plausible explanation is that predators impose less selection for mimetic fidelity on smaller hoverfly species because they are less profitable prey items. In particular, our findings, in combination with previous results, allow us to reject several key hypotheses for imperfect mimicry: first, human ratings of mimetic fidelity are positively correlated with both morphometric measures and avian rankings, indicating that variation in mimetic fidelity is not simply an illusion based on human perception; second, no species of syrphid maps out in multidimensional space as being intermediate in appearance between several different hymenopteran model species, as the multimodel hypothesis requires; and third, we find no evidence for a negative relationship between mimetic fidelity and abundance, which calls into question the kin-selection hypothesis. By contrast, a strong positive relationship between mimetic fidelity and body size supports the relaxed-selection hypothesis, suggesting that reduced predation pressure on less profitable prey species limits the selection for mimetic perfection.

  20. Role of electronic correlation in high-low temperature phase transition of hexagonal nickel sulfide: a comparative density functional theory study with and without correction for on-site Coulomb interaction.

    PubMed

    Zhang, Wei-Bing; Li, Jie; Tang, Bi-Yu

    2013-06-28

    The structural, electronic, magnetic, and elastic properties of hexagonal nickel sulfide (NiS) have been investigated comparatively by Density Functional theory (DFT) and DFT plus correction for on-site Coulomb interaction (DFT+U), in which two different exchange correlation functionals local density approximations (LDA) and general gradient approximations (GGA) in the form of Perdew-Burke-Ernzerhof (PBE) are used. Our results indicate LDA and PBE methods predict hexagonal NiS to be a paramagnetic metal whereas LDA(PBE)+U calculations with reasonable on-site Coulomb interaction energy give the antiferromagnetic insulating state of low temperature hexagonal NiS successfully. Meanwhile, compared with LDA(PBE) results, LDA(PBE)+U methods give larger lattice parameters, crystal volume, and shear constant c44, consistent with the experimental picture during high-low temperature phase transition of hexagonal NiS, in which an increase of the shear constant c44 and lattice parameters were found in the low-temperature antiferromagnetic phase. The present DFT and DFT+U calculations provide a reasonable description for the properties of high temperature and low temperature hexagonal NiS respectively, which indicates that electronic correlation is responsible for this high-low temperature phase transition.

  1. The extended family of hexagonal molybdenum oxide

    SciTech Connect

    Hartl, Monika; Daemen, Luke; Lunk, J H; Hartl, H; Frisk, A T; Shendervich, I; Mauder, D; Feist, M; Eckelt, R

    2009-01-01

    Over the last 40 years, a large number of isostructural compounds in the system MoO{sub 3}-NH{sub 3}-H{sub 2}O have been published. The reported molecular formulae of 'hexagonal molybdenum oxide' (HEMO) varied from MoO{sub 3}, MoO{sub 3} {center_dot} 0.33NH{sub 3}, MoO{sub 3} {center_dot} nH{sub 2}O (0.09 {le} n {le} 0.69) to MoO{sub 3} {center_dot} mNH{sub 3} {center_dot} nH{sub 2}O (0.09 {le} m {le} 0.20; 0.18 {le} n {le} 0.60). Samples, prepared by the acidification route, were investigated using thermal analysis coupled on-line to a mass spectrometer for evolved gas analysis; X-ray powder diffraction; Fourier Transform Infrared, Raman and Magic-Angle-Spinning {sup 1}H-NMR spectroscopy; Incoherent Inelastic Neutron Scattering. The X-ray study of a selected monocrystal confirmed the presence of the well-known framework of edge-sharing MoO{sub 6} octahedra: Space group P6{sub 3}/m, a = 10.527(1), c =3.7245(7) {angstrom}, {gamma} = 120{sup o}. The structure of the synthesized samples can best be described by the structural formula (NH{sub 4})[Mo{sub x}{open_square}{sub 1/2+p/2}(O{sub 3x + 1/2-p/2})(OH){sub p}] {center_dot} yH{sub 2}O (x 5.9-7.1; p {approx} 0.1; y = 1.2-2.6), which is consistent with the existence of one vacancy for 12-15 molybdenum sites. The 'chimie douce' reaction of MoO{sub 3} {center_dot} 0.155NH{sub 3} {center_dot} 0.440H{sub 2}O with a 1:1 mixture of NO/NO{sub 2} at 100 C resulted in the synthesis of MoO{sub 3} {center_dot} 0.539H{sub 2}O. Tailored nano-sized molybdenum powders can be produced using HEMO as precursor.

  2. Superalloy Lattice Block Structures

    NASA Technical Reports Server (NTRS)

    Nathal, M. V.; Whittenberger, J. D.; Hebsur, M. G.; Kantzos, P. T.; Krause, D. L.

    2004-01-01

    Initial investigations of investment cast superalloy lattice block suggest that this technology will yield a low cost approach to utilize the high temperature strength and environmental resistance of superalloys in lightweight, damage tolerant structural configurations. Work to date has demonstrated that relatively large superalloy lattice block panels can be successfully investment cast from both IN-718 and Mar-M247. These castings exhibited mechanical properties consistent with the strength of the same superalloys measured from more conventional castings. The lattice block structure also accommodates significant deformation without failure, and is defect tolerant in fatigue. The potential of lattice block structures opens new opportunities for the use of superalloys in future generations of aircraft applications that demand strength and environmental resistance at elevated temperatures along with low weight.

  3. Shaken lattice interferometry

    NASA Astrophysics Data System (ADS)

    Weidner, Carrie; Yu, Hoon; Anderson, Dana

    2016-05-01

    In this work, we report on progress towards performing interferometry using atoms trapped in an optical lattice. That is, we start with atoms in the ground state of an optical lattice potential V(x) =V0cos [ 2 kx + ϕ(t) ] , and by a prescribed phase function ϕ(t) , transform from one atomic wavefunction to another. In this way, we implement the standard interferometric sequence of beam splitting, propagation, reflection, reverse propagation, and recombination. Through the use of optimal control techniques, we have computationally demonstrated a scalable accelerometer that provides information on the sign of the applied acceleration. Extension of this idea to a two-dimensional shaken-lattice-based gyroscope is discussed. In addition, we report on the experimental implementation of the shaken lattice system.

  4. SPIN ON THE LATTICE.

    SciTech Connect

    ORGINOS,K.

    2003-01-07

    I review the current status of hadronic structure computations on the lattice. I describe the basic lattice techniques and difficulties and present some of the latest lattice results; in particular recent results of the RBC group using domain wall fermions are also discussed. In conclusion, lattice computations can play an important role in understanding the hadronic structure and the fundamental properties of Quantum Chromodynamics (QCD). Although some difficulties still exist, several significant steps have been made. Advances in computer technology are expected to play a significant role in pushing these computations closer to the chiral limit and in including dynamical fermions. RBC has already begun preliminary dynamical domain wall fermion computations [49] which we expect to be pushed forward with the arrival of QCD0C. In the near future, we also expect to complete the non-perturbative renormalization of the relevant derivative operators in quenched QCD.

  5. Hexagonal OsB2 reduction upon heating in H2 containing environment

    SciTech Connect

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Payzant, E. Andrew

    2014-10-23

    The stability of hexagonal ReB2 type OsB2 powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB2 to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB2 upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valences in the alternating boron/osmium sheet structure of hexagonal (P63/mmc, No. 194) OsB2; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.

  6. Automated Lattice Perturbation Theory

    SciTech Connect

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  7. Additive lattice kirigami

    PubMed Central

    Castle, Toen; Sussman, Daniel M.; Tanis, Michael; Kamien, Randall D.

    2016-01-01

    Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes. PMID:27679822

  8. Legless locomotion in lattices

    NASA Astrophysics Data System (ADS)

    Schiebel, Perrin; Dai, Jin; Gong, Chaohui; Serrano, Miguel M.; Mendelson, Joseph R., III; Choset, Howie; Goldman, Daniel I.

    2015-03-01

    By propagating waves from head to tail, limbless organisms like snakes can traverse terrain composed of rocks, foliage, soil and sand. Previous research elucidated how rigid obstacles influence snake locomotion by studying a model terrain-symmetric lattices of pegs placed in hard ground. We want to understand how different substrate-body interaction modes affect performance in desert-adapted snakes during transit of substrates composed of both rigid obstacles and granular media (GM). We tested Chionactis occipitalis, the Mojave shovel-nosed snake, in two laboratory treatments: lattices of 0 . 64 cm diameter obstacles arrayed on both a hard, slick substrate and in a GM of ~ 0 . 3 mm diameter glass particles. For all lattice spacings, d, speed through the hard ground lattices was less than that in GM lattices. However, maximal undulation efficiencies ηu (number of body lengths advanced per undulation cycle) in both treatments were comparable when d was intermediate. For other d, ηu was lower than this maximum in hard ground lattices, while on GM, ηu was insensitive to d. To systematically explore such locomotion, we tested a physical robot model of the snake; performance depended sensitively on base substrate, d and body wave parameters.

  9. Additive lattice kirigami

    PubMed Central

    Castle, Toen; Sussman, Daniel M.; Tanis, Michael; Kamien, Randall D.

    2016-01-01

    Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.

  10. Strongly interacting particles on an anisotropic kagome lattice

    NASA Astrophysics Data System (ADS)

    Hotta, Chisa; Pollmann, Frank

    2009-01-01

    We study a model of strongly interacting spinless fermions and hard-core bosons on an anisotropic kagome lattice near 2/3-filling. Our main focus lies on the strongly anisotropic case in which the nearest-neighbor repulsions V and V' are large compared to the hopping amplitudes |t| and |t'|. When t = t' = 0, the system has a charge ordered insulating ground state where the charges align in striped configurations. Doping one electron or hole into the ground state yields an anisotropic metal at V' > V, where the particle fractionalizes along the V'-bonds while propagates along the V-bonds in a one-body like manner. The sixth order ring exchange processes around the hexagonal unit of the lattice play a crucial role in forming a bound state of fractional charges.

  11. Cytoskeletal Signaling: Is Memory Encoded in Microtubule Lattices by CaMKII Phosphorylation?

    PubMed Central

    Craddock, Travis J. A.; Tuszynski, Jack A.; Hameroff, Stuart

    2012-01-01

    Memory is attributed to strengthened synaptic connections among particular brain neurons, yet synaptic membrane components are transient, whereas memories can endure. This suggests synaptic information is encoded and ‘hard-wired’ elsewhere, e.g. at molecular levels within the post-synaptic neuron. In long-term potentiation (LTP), a cellular and molecular model for memory, post-synaptic calcium ion (Ca2+) flux activates the hexagonal Ca2+-calmodulin dependent kinase II (CaMKII), a dodacameric holoenzyme containing 2 hexagonal sets of 6 kinase domains. Each kinase domain can either phosphorylate substrate proteins, or not (i.e. encoding one bit). Thus each set of extended CaMKII kinases can potentially encode synaptic Ca2+ information via phosphorylation as ordered arrays of binary ‘bits’. Candidate sites for CaMKII phosphorylation-encoded molecular memory include microtubules (MTs), cylindrical organelles whose surfaces represent a regular lattice with a pattern of hexagonal polymers of the protein tubulin. Using molecular mechanics modeling and electrostatic profiling, we find that spatial dimensions and geometry of the extended CaMKII kinase domains precisely match those of MT hexagonal lattices. This suggests sets of six CaMKII kinase domains phosphorylate hexagonal MT lattice neighborhoods collectively, e.g. conveying synaptic information as ordered arrays of six “bits”, and thus “bytes”, with 64 to 5,281 possible bit states per CaMKII-MT byte. Signaling and encoding in MTs and other cytoskeletal structures offer rapid, robust solid-state information processing which may reflect a general code for MT-based memory and information processing within neurons and other eukaryotic cells. PMID:22412364

  12. Quasi-ordering of composition fluctuations and their interaction with lattice imperfections in an optical spectra of dilute nitride alloys

    NASA Astrophysics Data System (ADS)

    Mintairov, A. M.; He, Y.; Merz, J. L.; Jin, Y.; Goldman, R. S.; Kudrawiec, R.; Misiewicz, J.; Akimov, I. A.; Yakovlev, D. R.; Bayer, M.

    2016-09-01

    Using optical spectroscopy experiments, including conventional low-temperature photo-reflectance and photoluminescence (PL) together with time-resolved PL and near-field magneto PL, we distinguish between statistical composition fluctuations (CFs) and nitrogen clusters (Ncl) in i- and n-type GaAs1‑x N x alloys (x = 0.01–0.03). We measured the size (l = 3–24 nm), activation energy (E a = 15–30 meV) and density (n l ∼ 1011 cm‑2) of CFs in i-type material. In n-type material we resolved the emission of nitrogen clusters (Ncl) having activation energy ∼70 meV and density n cl ∼ 1012 cm‑2. Analysis of l and E a values in i-GaAs1‑x N x revealed a strong interaction between substitutional (Ns) and interstitial (Ni) nitrogen, which results in band gap splitting accompanied by activation of the heavy-hole exciton and Ncl emission. In the optical spectra of i-GaAs1‑x N x , we suggest the identification of different Ni species and Ni-Ns arrangements, and in n-GaAs1‑x N x we observed activation/suppression of Ncl/CF emission and interference between CFs and ionized donors. Using numerical analysis of amplitude, size and density of CFs we revealed unexpected quasi-ordering which results in modulation of CFs having period 2l. This is consistent with the high n l values observed. We show that this quasi-ordering, arising from statistical non-uniformity of the CFs, creates a set of latent states, which allows us to probe exciton properties, defect density and the structural homogeneity in GaAs1‑x N x .

  13. Quasi-ordering of composition fluctuations and their interaction with lattice imperfections in an optical spectra of dilute nitride alloys

    NASA Astrophysics Data System (ADS)

    Mintairov, A. M.; He, Y.; Merz, J. L.; Jin, Y.; Goldman, R. S.; Kudrawiec, R.; Misiewicz, J.; Akimov, I. A.; Yakovlev, D. R.; Bayer, M.

    2016-09-01

    Using optical spectroscopy experiments, including conventional low-temperature photo-reflectance and photoluminescence (PL) together with time-resolved PL and near-field magneto PL, we distinguish between statistical composition fluctuations (CFs) and nitrogen clusters (Ncl) in i- and n-type GaAs1-x N x alloys (x = 0.01-0.03). We measured the size (l = 3-24 nm), activation energy (E a = 15-30 meV) and density (n l ˜ 1011 cm-2) of CFs in i-type material. In n-type material we resolved the emission of nitrogen clusters (Ncl) having activation energy ˜70 meV and density n cl ˜ 1012 cm-2. Analysis of l and E a values in i-GaAs1-x N x revealed a strong interaction between substitutional (Ns) and interstitial (Ni) nitrogen, which results in band gap splitting accompanied by activation of the heavy-hole exciton and Ncl emission. In the optical spectra of i-GaAs1-x N x , we suggest the identification of different Ni species and Ni-Ns arrangements, and in n-GaAs1-x N x we observed activation/suppression of Ncl/CF emission and interference between CFs and ionized donors. Using numerical analysis of amplitude, size and density of CFs we revealed unexpected quasi-ordering which results in modulation of CFs having period 2l. This is consistent with the high n l values observed. We show that this quasi-ordering, arising from statistical non-uniformity of the CFs, creates a set of latent states, which allows us to probe exciton properties, defect density and the structural homogeneity in GaAs1-x N x .

  14. Quantum state tomography with noninstantaneous measurements, imperfections, and decoherence

    NASA Astrophysics Data System (ADS)

    Six, P.; Campagne-Ibarcq, Ph.; Dotsenko, I.; Sarlette, A.; Huard, B.; Rouchon, P.

    2016-01-01

    Tomography of a quantum state is usually based on a positive-operator-valued measure (POVM) and on their experimental statistics. Among the available reconstructions, the maximum-likelihood (MaxLike) technique is an efficient one. We propose an extension of this technique when the measurement process cannot be simply described by an instantaneous POVM. Instead, the tomography relies on a set of quantum trajectories and their measurement records. This model includes the fact that, in practice, each measurement could be corrupted by imperfections and decoherence, and could also be associated with the record of continuous-time signals over a finite amount of time. The goal is then to retrieve the quantum state that was present at the start of this measurement process. The proposed extension relies on an explicit expression of the likelihood function via the effective matrices appearing in quantum smoothing and solutions of the adjoint quantum filter. It allows us to retrieve the initial quantum state as in standard MaxLike tomography, but where the traditional POVM operators are replaced by more general ones that depend on the measurement record of each trajectory. It also provides, aside from the MaxLike estimate of the quantum state, confidence intervals for any observable. Such confidence intervals are derived, as the MaxLike estimate, from an asymptotic expansion of multidimensional Laplace integrals appearing in Bayesian mean estimation. A validation is performed on two sets of experimental data: photon(s) trapped in a microwave cavity subject to quantum nondemolition measurements relying on Rydberg atoms, and heterodyne fluorescence measurements of a superconducting qubit.

  15. Monitoring programs need to take into account imperfect species detectability

    USGS Publications Warehouse

    Kery, M.; Schmid, Hans

    2004-01-01

    Biodiversiry monitoring is important to identify biological units in need of conservation and to check the effectiveness of conservation actions. Programs generally monitor species richness and its changes (trend). Usually, no correction is made for imperfect species detectability. Instead, it is assumed that each species present has the same probability of being recorded and that there is no difference in this detectability across space and time, e.g. among observers and habitats. Consequently, species richness is determined by enumeration as the sum of species recorded. In Switzerland, the federal government has recently launched a comprehensive program that aims at detecting changes in biodiversity at all levels of biological integration. Birds are an important part of that program. Since 1999, 23 visits per breeding season are made to each of >250 1 km2 squares to map the territories of all detected breeding bird species. Here, we analyse data from three squares to illustrate the use of capture-recapture models in monitoring to obtain detectability-corrected estimates of species richness and trend. Species detectability averaged only 85%. Hence an estimated 15% of species present remained overlooked even after three visits. Within a square, changes in detectability for different years were of the same magnitude when surveys were conducted by the same observer as when they were by different observers. Estimates of trend were usually biased and community turnover was overestimated when based on enumeration. Here we use bird data as an illustration of methods. However, species detectability for any taxon is unlikely ever to be perfect or even constant across categories to be compared. Therefore, monitoring programs should correct for species detectability.

  16. Understanding Your Vision: The “Imperfect Eye” | NIH MedlinePlus the Magazine

    MedlinePlus

    ... of this page please turn Javascript on. Feature: Vision Understanding Your Vision: The “Imperfect Eye” Past Issues / Winter 2012 Table ... are different and so are the types of vision that we have. Understanding how some of us ...

  17. Buckling and Failure of Compression-Loaded Composite Cylindrical Shells With Geometric and Material Imperfections

    NASA Technical Reports Server (NTRS)

    Hilburger, Mark W.; Starnes, James H., Jr.

    2004-01-01

    The results of an experimental and numerical study of the effects of initial imperfections on the buckling response and failure of unstiffened thin-walled compression-loaded graphite-epoxy cylindrical shells are presented. The shells considered in the study have six different orthotropic or quasi-isotropic shell-wall laminates and two different shell-radius-to-thickness ratios. The numerical results include the effects of geometric shell-wall mid-surface imperfections, shell-wall thickness variations, local shell-wall ply-gaps associated with the fabrication process, shell-end geometric imperfections, nonuniform end loads, and the effects of elastic boundary conditions. Selected cylinder parameter uncertainties were also considered. Results that illustrate the effects of imperfections and uncertainties on the nonlinear response characteristics, buckling loads and failure the shells are presented. In addition, a common failure analysis is used to predict material failures in the shells.

  18. From the microscopic to the mesoscopic properties of lyotropic reverse hexagonal liquid crystals.

    PubMed

    Libster, Dima; Ishai, Paul Ben; Aserin, Abraham; Shoham, Gil; Garti, Nissim

    2008-03-01

    In the present study we aimed to explore a correlation between the microstructural properties of the lyotropic reverse hexagonal phase (HII) of the GMO/tricaprylin/phosphatidylcholine/water system and its mesoscopic structure. The mesoscopic organization of discontinuous and anisotropic domains was examined, in the native state, using environmental scanning electron microscopy. The topography of the HII mesophases was imaged directly in their hydrated state, as a function of aqueous-phase concentration and composition, when a proline amino acid was solubilized into the systems as a kosmotropic (water-structure maker) guest molecule. The domain structures of several dozen micrometers in size, visualized in the environmental scanning electron microscopy, were found to possess fractal characteristics, indicating a discontinuous and disordered alignment of the corresponding internal water rods on the mesoscale. On the microstructural level, SAXS measurements revealed that as water content (Cw) increases the characteristic lattice parameter of the mesophases increases as well. Using the water concentration as the mass measure of the mixtures, a scaling relationship between the lattice parameter and the concentration was found to obey a power law whereby the derived fractal dimension was the relevant exponent, confirming the causal link between the microscopic and mesoscopic organizations. The topography of the HII mesophase was found to be affected by the microstructural parameters and the composition of the samples. Thermal analysis experiments involving these systems further confirmed that the behavior of water underpins both microscopical and mesoscopic features of the systems. It was shown that both the swelling of the lattice parameter and the mesoscopic domains is correlated to the bulk water concentration in the water rods.

  19. The Influence of Hollow Imperfections of Adhesive on Performances of Interface of RC Beams Strengthened with HFRP

    SciTech Connect

    Guo Yongchang; Li Lijuan; Deng Jun; Zhong Genquan

    2010-05-21

    The mechanical characteristics of the interface with hollow imperfections for reinforced concrete (RC) beams strengthened with Carbon-Glass fiber sheet is discussed, which is a new hybrid strengthening method. By establishing the constitutive equations of different materials, three interfacial models including imperfection dimension, imperfection location and imperfection amount are simulated using nonlinear finite element method. The shear stress and normal stress of glue layer, the first principal stress of concrete at the end of the interface and the stress distributions of different strengthening modes are analyzed. The results show that the shear stress of glue layer is sensitive for imperfection dimension and significantly increases with the imperfection dimension. However, the first principal stress of the concrete at the end of the interface marginally decreases with the imperfection dimension.

  20. Direct observation of Σ7 domain boundary core structure in magnetic skyrmion lattice.

    PubMed

    Matsumoto, Takao; So, Yeong-Gi; Kohno, Yuji; Sawada, Hidetaka; Ikuhara, Yuichi; Shibata, Naoya

    2016-02-01

    Skyrmions are topologically protected nanoscale magnetic spin entities in helical magnets. They behave like particles and tend to form hexagonal close-packed lattices, like atoms, as their stable structure. Domain boundaries in skyrmion lattices are considered to be important as they affect the dynamic properties of magnetic skyrmions. However, little is known about the fine structure of such skyrmion domain boundaries. We use differential phase contrast scanning transmission electron microscopy to directly visualize skyrmion domain boundaries in FeGe1-x Si x induced by the influence of an "edge" of a crystal grain. Similar to hexagonal close-packed atomic lattices, we find the formation of skyrmion "Σ7" domain boundary, whose orientation relationship is predicted by the coincidence site lattice theory to be geometrically stable. On the contrary, the skyrmion domain boundary core structure shows a very different structure relaxation mode. Individual skyrmions can flexibly change their size and shape to accommodate local coordination changes and free volumes formed at the domain boundary cores. Although atomic rearrangement is a common structural relaxation mode in crystalline grain boundaries, skyrmions show very unique and thus different responses to such local lattice disorders. PMID:26933690

  1. Direct observation of Σ7 domain boundary core structure in magnetic skyrmion lattice

    PubMed Central

    Matsumoto, Takao; So, Yeong-Gi; Kohno, Yuji; Sawada, Hidetaka; Ikuhara, Yuichi; Shibata, Naoya

    2016-01-01

    Skyrmions are topologically protected nanoscale magnetic spin entities in helical magnets. They behave like particles and tend to form hexagonal close-packed lattices, like atoms, as their stable structure. Domain boundaries in skyrmion lattices are considered to be important as they affect the dynamic properties of magnetic skyrmions. However, little is known about the fine structure of such skyrmion domain boundaries. We use differential phase contrast scanning transmission electron microscopy to directly visualize skyrmion domain boundaries in FeGe1−xSix induced by the influence of an “edge” of a crystal grain. Similar to hexagonal close-packed atomic lattices, we find the formation of skyrmion “Σ7” domain boundary, whose orientation relationship is predicted by the coincidence site lattice theory to be geometrically stable. On the contrary, the skyrmion domain boundary core structure shows a very different structure relaxation mode. Individual skyrmions can flexibly change their size and shape to accommodate local coordination changes and free volumes formed at the domain boundary cores. Although atomic rearrangement is a common structural relaxation mode in crystalline grain boundaries, skyrmions show very unique and thus different responses to such local lattice disorders. PMID:26933690

  2. Phononic band gap design in honeycomb lattice with combinations of auxetic and conventional core

    NASA Astrophysics Data System (ADS)

    Mukherjee, Sushovan; Scarpa, Fabrizio; Gopalakrishnan, S.

    2016-05-01

    We present a novel design of a honeycomb lattice geometry that uses a seamless combination of conventional and auxetic cores, i.e. elements showing positive and negative Poisson’s ratio. The design is aimed at tuning and improving the band structure of periodic cellular structures. The proposed cellular configurations show a significantly wide band gap at much lower frequencies compared to their pure counterparts, while still retaining their major dynamic features. Different topologies involving both auxetic inclusions in a conventional lattice and conversely hexagonal cellular inclusions in auxetic butterfly lattices are presented. For all these cases the impact of the varying degree of auxeticity on the band structure is evaluated. The proposed cellular designs may offer significant advantages in tuning high-frequency bandgap behaviour, which is relevant to phononics applications. The configurations shown in this paper may be made iso-volumetric and iso-weight to a given regular hexagonal topology, making possible to adapt the hybrid lattices to existing sandwich structures with fixed dimensions and weights. This work also features a comparative study of the wave speeds corresponding to different configurations vis-a vis those of a regular honeycomb to highlight the superior behaviour of the combined hybrid lattice.

  3. Ab initio engineering of materials with stacked hexagonal tin frameworks

    NASA Astrophysics Data System (ADS)

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-07-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.

  4. Ab initio engineering of materials with stacked hexagonal tin frameworks.

    PubMed

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N

    2016-01-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.

  5. Stabilization of 4H hexagonal phase in gold nanoribbons

    PubMed Central

    Fan, Zhanxi; Bosman, Michel; Huang, Xiao; Huang, Ding; Yu, Yi; Ong, Khuong P.; Akimov, Yuriy A.; Wu, Lin; Li, Bing; Wu, Jumiati; Huang, Ying; Liu, Qing; Eng Png, Ching; Lip Gan, Chee; Yang, Peidong; Zhang, Hua

    2015-01-01

    Gold, silver, platinum and palladium typically crystallize with the face-centred cubic structure. Here we report the high-yield solution synthesis of gold nanoribbons in the 4H hexagonal polytype, a previously unreported metastable phase of gold. These gold nanoribbons undergo a phase transition from the original 4H hexagonal to face-centred cubic structure on ligand exchange under ambient conditions. Using monochromated electron energy-loss spectroscopy, the strong infrared plasmon absorption of single 4H gold nanoribbons is observed. Furthermore, the 4H hexagonal phases of silver, palladium and platinum can be readily stabilized through direct epitaxial growth of these metals on the 4H gold nanoribbon surface. Our findings may open up new strategies for the crystal phase-controlled synthesis of advanced noble metal nanomaterials. PMID:26216712

  6. Ab initio engineering of materials with stacked hexagonal tin frameworks

    PubMed Central

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-01-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator. PMID:27387140

  7. Three-dimensional piezoelasticity solution for piezolaminated angle-ply cylindrical shells featuring imperfect interfacial bonding

    NASA Astrophysics Data System (ADS)

    Kapuria, S.; Kumar, Amit

    2010-04-01

    The work presents an analytical three-dimensional solution for simply supported angle-ply piezoelectric (hybrid) laminated cylindrical shells in cylindrical bending with interlaminar bonding imperfections, in an electro-thermomechanical loading environment. The jumps in displacements, electric potential and temperature at the imperfect interfaces are modeled using linear spring-layer model. The solution includes the case when, besides at inner and outer surfaces, electric potentials are prescribed at layer interfaces also for effective actuation/sensing. The entities for each layer are expanded in Fourier series in circumferential coordinate to satisfy the boundary conditions at the simply supported ends. The resulting ordinary differential equations in thickness coordinate with variable coefficients are solved by the modified Frobenius method. Numerical results are presented for hybrid composite and sandwich shells with varying imperfection compliance. The effect of location of imperfect interface on the response is studied for cross-ply panels while the effect of ply angle on the sensitivity towards imperfection is studied for angle-ply panels. The effect of weak bonding at actuator/sensor interface on the actuation/sensing authority is investigated. The presented results would also help assessing 2D shell theories that incorporate interlaminar bonding imperfections.

  8. Ecological and Evolutionary Processes Drive the Origin and Maintenance of Imperfect Mimicry

    PubMed Central

    Wilson, Joseph S.; Jahner, Joshua P.; Williams, Kevin A.; Forister, Matthew L.

    2013-01-01

    Although the forces behind the evolution of imperfect mimicry remain poorly studied, recent hypotheses suggest that relaxed selection on small-bodied individuals leads to imperfect mimicry. While evolutionary history undoubtedly affects the development of imperfect mimicry, ecological community context has largely been ignored and may be an important driver of imperfect mimicry. Here we investigate how evolutionary and ecological contexts might influence mimetic fidelity in Müllerian and Batesian mimicry systems. In Batesian hoverfly systems we find that body size is not a strong predictor of mimetic fidelity. However, in Müllerian velvet ants we find a weak positive relationship between body size and mimetic fidelity when evolutionary context is controlled for and a much stronger relationship between community diversity and mimetic fidelity. These results suggest that reduced selection on small-bodied individuals may not be a major driver of the evolution of imperfect mimicry and that other factors, such as ecological community context, should be considered when studying the evolution of imperfect mimicry. PMID:23593490

  9. Ecological and evolutionary processes drive the origin and maintenance of imperfect mimicry.

    PubMed

    Wilson, Joseph S; Jahner, Joshua P; Williams, Kevin A; Forister, Matthew L

    2013-01-01

    Although the forces behind the evolution of imperfect mimicry remain poorly studied, recent hypotheses suggest that relaxed selection on small-bodied individuals leads to imperfect mimicry. While evolutionary history undoubtedly affects the development of imperfect mimicry, ecological community context has largely been ignored and may be an important driver of imperfect mimicry. Here we investigate how evolutionary and ecological contexts might influence mimetic fidelity in Müllerian and Batesian mimicry systems. In Batesian hoverfly systems we find that body size is not a strong predictor of mimetic fidelity. However, in Müllerian velvet ants we find a weak positive relationship between body size and mimetic fidelity when evolutionary context is controlled for and a much stronger relationship between community diversity and mimetic fidelity. These results suggest that reduced selection on small-bodied individuals may not be a major driver of the evolution of imperfect mimicry and that other factors, such as ecological community context, should be considered when studying the evolution of imperfect mimicry.

  10. Backscattering by hexagonal ice crystals of cirrus clouds.

    PubMed

    Borovoi, Anatoli; Konoshonkin, Alexander; Kustova, Natalia

    2013-08-01

    Light backscattering by randomly oriented hexagonal ice crystals of cirrus clouds is considered within the framework of the physical-optics approximation. The fine angular structure of all elements of the Mueller matrix in the vicinity of the exact backward direction is first calculated and discussed. In particular, an approximate equation for the differential scattering cross section is obtained. Its simple spectral dependence is discussed. Also, a hollow of the linear depolarization ratio around the exact backward direction inherent to the long hexagonal columns is revealed.

  11. Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

    NASA Astrophysics Data System (ADS)

    Al-Hamdani, Yasmine S.; Ma, Ming; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

    2015-05-01

    Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of -84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.

  12. Communication: Water on hexagonal boron nitride from diffusion Monte Carlo.

    PubMed

    Al-Hamdani, Yasmine S; Ma, Ming; Alfè, Dario; von Lilienfeld, O Anatole; Michaelides, Angelos

    2015-05-14

    Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of -84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT. PMID:25978876

  13. Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

    SciTech Connect

    Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos; Alfè, Dario; Lilienfeld, O. Anatole von

    2015-05-14

    Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of −84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.

  14. Hexagonal Pixels and Indexing Scheme for Binary Images

    NASA Technical Reports Server (NTRS)

    Johnson, Gordon G.

    2004-01-01

    A scheme for resampling binaryimage data from a rectangular grid to a regular hexagonal grid and an associated tree-structured pixel-indexing scheme keyed to the level of resolution have been devised. This scheme could be utilized in conjunction with appropriate image-data-processing algorithms to enable automated retrieval and/or recognition of images. For some purposes, this scheme is superior to a prior scheme that relies on rectangular pixels: one example of such a purpose is recognition of fingerprints, which can be approximated more closely by use of line segments along hexagonal axes than by line segments along rectangular axes. This scheme could also be combined with algorithms for query-image-based retrieval of images via the Internet. A binary image on a rectangular grid is generated by raster scanning or by sampling on a stationary grid of rectangular pixels. In either case, each pixel (each cell in the rectangular grid) is denoted as either bright or dark, depending on whether the light level in the pixel is above or below a prescribed threshold. The binary data on such an image are stored in a matrix form that lends itself readily to searches of line segments aligned with either or both of the perpendicular coordinate axes. The first step in resampling onto a regular hexagonal grid is to make the resolution of the hexagonal grid fine enough to capture all the binaryimage detail from the rectangular grid. In practice, this amounts to choosing a hexagonal-cell width equal to or less than a third of the rectangular- cell width. Once the data have been resampled onto the hexagonal grid, the image can readily be checked for line segments aligned with the hexagonal coordinate axes, which typically lie at angles of 30deg, 90deg, and 150deg with respect to say, the horizontal rectangular coordinate axis. Optionally, one can then rotate the rectangular image by 90deg, then again sample onto the hexagonal grid and check for line segments at angles of 0deg, 60deg

  15. Lattice studies of baryons

    SciTech Connect

    David Richards

    2004-10-01

    This talk describes progress at understanding the properties of the nucleon and its excitations from lattice QCD. I begin with a review of recent lattice results for the lowest-lying states of the excited baryon spectrum. The need to approach physical values of the light quark masses is emphasized, enabling the effects of the pion cloud to be revealed. I then outline the development of techniques that will enable the extraction of the masses of the higher resonances, and describe how such calculations provide insight into the structure of the hadrons. Finally, I discuss direct probes of the quark and gluon structure of baryons through the lattice measurement of the moments of quark distributions and of Generalized Parton Distributions.

  16. Latticed pentamode acoustic cloak.

    PubMed

    Chen, Yi; Liu, Xiaoning; Hu, Gengkai

    2015-01-01

    We report in this work a practical design of pentamode acoustic cloak with microstructure. The proposed cloak is assembled by pentamode lattice made of a single-phase solid material. The function of rerouting acoustic wave round an obstacle has been demonstrated numerically. It is also revealed that shear related resonance due to weak shear resistance in practical pentamode lattices punctures broadband feature predicted based on ideal pentamode cloak. As a consequence, the latticed pentamode cloak can only conceal the obstacle in segmented frequency ranges. We have also shown that the shear resonance can be largely reduced by introducing material damping, and an improved broadband performance can be achieved. These works pave the way for experimental demonstration of pentamode acoustic cloak. PMID:26503821

  17. Latticed pentamode acoustic cloak

    PubMed Central

    Chen, Yi; Liu, Xiaoning; Hu, Gengkai

    2015-01-01

    We report in this work a practical design of pentamode acoustic cloak with microstructure. The proposed cloak is assembled by pentamode lattice made of a single-phase solid material. The function of rerouting acoustic wave round an obstacle has been demonstrated numerically. It is also revealed that shear related resonance due to weak shear resistance in practical pentamode lattices punctures broadband feature predicted based on ideal pentamode cloak. As a consequence, the latticed pentamode cloak can only conceal the obstacle in segmented frequency ranges. We have also shown that the shear resonance can be largely reduced by introducing material damping, and an improved broadband performance can be achieved. These works pave the way for experimental demonstration of pentamode acoustic cloak. PMID:26503821

  18. Security issues of quantum cryptographic systems with imperfect detectors

    NASA Astrophysics Data System (ADS)

    Burenkov, Viacheslav

    The laws of quantum physics can be used to secure communications between two distant parties in a scheme called quantum key distribution (QKD), even against a technologically unlimited eavesdropper. While the theoretical security of QKD has been proved rigorously, current implementations of QKD are generally insecure. In particular, mathematical models of devices, such as detectors, do not accurately describe their real-life behaviour. Such seemingly insignificant discrepancies can compromise the security of the entire scheme, especially as novel detector technologies are being developed with little regard for potential vulnerabilities. In this thesis, we study how detector imperfections can impact the security of QKD and how to overcome such technological limitations. We first analyze the security of a high-speed QKD system with finite detector dead time tau. We show that the previously reported sifting approaches are not guaranteed to be secure in this regime. More specifically, Eve can induce a basis-dependent detection efficiency at the receiver's end. Modified key sifting schemes that are basis-independent, and thus secure in the presence of dead time and an active eavesdropper, are discussed and compared. It is shown that the maximum key generation rate is 1/(2tau) for passive basis selection, and 1/tau for active basis selection. The security analysis is also extended to the decoy state BB84 protocol. We then study a relatively new type of single-photon detector called the superconducting nanowire single-photon detector (SNSPD), and discover some unexpected behaviour. We report an afterpulsing effect present when the SNSPD is operated in the high bias current regime. In our standard set-up, the afterpulsing is most likely to occur at around 180 ns following a detection event, for both real counts and dark counts. We characterize the afterpulsing behaviour and speculate that it is not due to the SNSPD itself but rather the associated read-out circuit. We also

  19. Exact Lattice Supersymmetry

    SciTech Connect

    Catterall, Simon; Kaplan, David B.; Unsal, Mithat

    2009-03-31

    We provide an introduction to recent lattice formulations of supersymmetric theories which are invariant under one or more real supersymmetries at nonzero lattice spacing. These include the especially interesting case of N = 4 SYM in four dimensions. We discuss approaches based both on twisted supersymmetry and orbifold-deconstruction techniques and show their equivalence in the case of gauge theories. The presence of an exact supersymmetry reduces and in some cases eliminates the need for fine tuning to achieve a continuum limit invariant under the full supersymmetry of the target theory. We discuss open problems.

  20. Lattice of the CSR

    NASA Astrophysics Data System (ADS)

    Xia, J. W.; Yuan, Y. J.; Song, M. T.; Zhang, W. Z.; Yang, X. D.; He, Y.; Mao, L. Z.; Xia, G. X.; Yang, J. C.; Wu, J. X.; Liu, W.

    2001-12-01

    CSR, a new Cooler-Storage-Ring project, is the post-acceleration system of the Heavy Ion Research Facility in Lanzhou (HIRFL). It consists of a main ring (CSRm) and an experimental ring (CSRe). From the HIRFL cyclotron system the heavy ions will be accumulated, cooled and accelerated in the CSRm, then extracted fast and injected into the CSRe for many internal-target experiments with electron cooling. The experimental ring (CSRe) will be operated with three lattice modes for different experiments. The details of the lattice for the two rings will be described in this paper.

  1. Quantum magnetism on kagome lattice

    NASA Astrophysics Data System (ADS)

    Hao, Zhihao

    The spin 1/2 Heisenberg antiferromagnet on kagome (a planar lattice of corner sharing triangles) is one of the most celebrated models of a strongly correlated system. Despite intensive studies, the physics of its ground state and excitations remains unsettled. Recently, researchers successfully synthesized and characterized several new materials described by this model. It is hoped that the longstanding problem can be finally resolved through combined efforts of experimentalists, material scientists and theorists. In this thesis, we present a physical picture of the low energy physics of kagome. We demonstrate that there are N/3 fermionic particles on a kagome of N sites. The motion of these particles is strongly constrained. They are bound into small bosonic states by strong pair-wise attractions. The "antiparticle" also exists and a particle-antiparticle pair can be created at energy cost 0.218J. Low energy spin 1 excitations correspond to breaking a bound state into two free particles at energy cost 0.06J. This is the physical mechanism of the kagome spin gap. Our physical picture finds several applications. The dynamical structure factor of pair-breaking processes on kagome is computed. We assume the bound states are independent thanks to their small sizes. The result agrees well with the recent inelastic neutron scattering measurement conducted on herbertsmithite, a kagome antiferromagnet. In the second application, we study the effect of Dzyaloshinskii-Moriya (DM) interaction. DM interaction is important for low energy physics on kagome since the ground state of the dominate exchange interaction is highly degenerated. Through analytical and numerical arguments, it is determined that the vacuum become unstable to creation of particle-antiparticle pairs at critical strength D of DM interaction on the sawtooth chain, a chain of corner sharing triangles. We speculate that the mechanism is behind the numerically observed quantum phase transition at finite D on

  2. Ab initio density functional theory investigation of the structural, electronic and optical properties of Ca3Sb2 in hexagonal and cubic phases

    NASA Astrophysics Data System (ADS)

    Arghavani Nia, Borhan; Sedighi, Matin; Shahrokhi, Masoud; Moradian, Rostam

    2013-11-01

    A density functional theory study of structural, electronical and optical properties of Ca3Sb2 compound in hexagonal and cubic phases is presented. In the exchange-correlation potential, generalized gradient approximation (PBE-GGA) has been used to calculate lattice parameters, bulk modulus, cohesive energy, dielectric function and energy loss spectra. The electronic band structure of this compound has been calculated using the above two approximations as well as another form of PBE-GGA, proposed by Engle and Vosko (EV-GGA). It is found that the hexagonal phase of Ca3Sb2 has an indirect gap in the Γ→N direction; while in the cubic phase there is a direct-gap at the Γ point in the PBE-GGA and EV-GGA. Effects of applying pressure on the band structure of the system studied and optical properties of these systems were calculated.

  3. Nonlinear analysis of wiggler-imperfections in free-electron lasers

    SciTech Connect

    Freund, H.P.; Yu, L.H.

    1995-12-31

    We present an analysis of the effect of wiggler imperfections in FELs using a variety of techniques. Our basic intention is to compare wiggler averaged nonlinear simulations to determine the effect of various approximations on the estimates of gain degradation due to wiggler imperfections. The fundamental assumption in the wiggler-averaged formulations is that the electrons are described by a random walk model, and an analytic representation of the orbits is made. This is fundamentally different from the approach taken for the non-wiggler-averaged formulation in which the wiggler imperfections are specified at the outset, and the orbits are integrated using a field model that is consistent with the Maxwell equations. It has been conjectured on the basis of prior studies using the non-wiggler-averaged formalism that electrons follow a {open_quotes}meander line{close_quotes} through the wiggler governed by the specific imperfections; hence, the electrons behave more as a ball-in-groove than as a random walk. This conjecture is tested by comparison of the wiggler-averaged and non-wiggler-averaged simulations. In addition, two different wiggler models are employed in the non-wiggler-averaged simulation: one based upon a parabolic pole face wiggler which is not curl and divergence free in the presence of wiggler imperfections, and a second model in which the divergence and z-component of the curl vanish identically. This will gauge the effect of inconsistencies in the wiggler model on the estimation of the effect of the imperfections. Preliminary results indicate that the inconsistency introduced by the non-vanishing curl and divergence result in an overestimation of the effect of wiggler imperfections on the orbit. The wiggler-averaged simulation is based upon the TDA code, and the non-wiggler-averaged simulation is a variant of the ARACHNE and WIGGLIN codes called MEDUSA developed to treat short-wavelength Gauss-Hermite modes.

  4. Rigidity of lattice domes

    NASA Technical Reports Server (NTRS)

    Savelyev, V. A.

    1979-01-01

    The means of ensuring total rigidity of lattice domes, using comparison with solid shells of 1-3 layers are discussed. Irregularities of manufacture, processing, and other factors are considered, as they relate to diminution of rigidity. The discussion uses the concepts of upper and lower critical loads on the structure in question.

  5. Supersymmetry on the Lattice

    NASA Astrophysics Data System (ADS)

    Schaich, David

    2016-03-01

    Lattice field theory provides a non-perturbative regularization of strongly interacting systems, which has proven crucial to the study of quantum chromodynamics among many other theories. Supersymmetry plays prominent roles in the study of physics beyond the standard model, both as an ingredient in model building and as a tool to improve our understanding of quantum field theory. Attempts to apply lattice techniques to supersymmetric field theories have a long history, but until recently these efforts have generally encountered insurmountable difficulties related to the interplay of supersymmetry with the lattice discretization of spacetime. In recent years these difficulties have been overcome for a class of theories that includes the particularly interesting case of maximally supersymmetric Yang-Mills (N = 4 SYM) in four dimensions, which is a cornerstone of AdS/CFT duality. In combination with computational advances this progress enables practical numerical investigations of N = 4 SYM on the lattice, which can address questions that are difficult or impossible to handle through perturbation theory, AdS/CFT duality, or the conformal bootstrap program. I will briefly review some of the new ideas underlying this recent progress, and present some results from ongoing large-scale numerical calculations, including comparisons with analytic predictions.

  6. Progress in lattice QCD

    SciTech Connect

    Andreas S. Kronfeld

    2002-09-30

    After reviewing some of the mathematical foundations and numerical difficulties facing lattice QCD, I review the status of several calculations relevant to experimental high-energy physics. The topics considered are moments of structure functions, which may prove relevant to search for new phenomena at the LHC, and several aspects of flavor physics, which are relevant to understanding CP and flavor violation.

  7. The JKJ Lattice

    NASA Astrophysics Data System (ADS)

    Shigaki, Kenta; Noda, Fumiaki; Yamamoto, Kazami; Machida, Shinji; Molodojentsev, Alexander; Ishi, Yoshihiro

    2002-12-01

    The JKJ high-intensity proton accelerator facility consists of a 400-MeV linac, a 3-GeV 1-MW rapid-cycling synchrotron and a 50-GeV 0.75-MW synchrotron. The lattice and beam dynamics design of the two synchrotrons are reported.

  8. Fibonacci Optical Lattices

    NASA Astrophysics Data System (ADS)

    Singh, Kevin; Geiger, Zachary; Senaratne, Ruwan; Rajagopal, Shankari; Fujiwara, Kurt; Weld, David; Weld Group Team

    2015-05-01

    Quasiperiodicity is intimately involved in quantum phenomena from localization to the quantum Hall effect. Recent experimental investigation of quasiperiodic quantum effects in photonic and electronic systems have revealed intriguing connections to topological phenomena. However, such experiments have been limited by the absence of techniques for creating tunable quasiperiodic structures. We propose a new type of quasiperiodic optical lattice, constructed by intersecting a Gaussian beam with a 2D square lattice at an angle with an irrational tangent. The resulting potential, a generalization of the Fibonacci lattice, is a physical realization of the mathematical ``cut-and-project'' construction which underlies all quasiperiodic structures. Calculation of the energies and wavefunctions of atoms loaded into the proposed quasiperiodic lattice demonstrate a fractal energy spectrum and the existence of edge states. We acknowledge support from the ONR (award N00014-14-1-0805), the ARO and the PECASE program (award W911NF-14-1-0154), the AFOSR (award FA9550-12-1-0305), and the Alfred P. Sloan foundation (grant BR2013-110).

  9. Shaken Lattice Interferometry

    NASA Astrophysics Data System (ADS)

    Weidner, Carrie; Yu, Hoon; Anderson, Dana

    2015-05-01

    This work introduces a method to perform interferometry using atoms trapped in an optical lattice. Starting at t = 0 with atoms in the ground state of a lattice potential V(x) =V0cos [ 2 kx + ϕ(t) ] , we show that it is possible to transform from one atomic wavefunction to another by a prescribed shaking of the lattice, i.e., by an appropriately tailored time-dependent phase shift ϕ(t) . In particular, the standard interferometer sequence of beam splitting, propagation, reflection, reverse propagation, and recombination can be achieved via a set of phase modulation operations {ϕj(t) } . Each ϕj(t) is determined using a learning algorithm, and the split-step method calculates the wavefunction dynamics. We have numerically demonstrated an interferometer in which the shaken wavefunctions match the target states to better than 1 % . We carried out learning using a genetic algorithm and optimal control techniques. The atoms remain trapped in the lattice throughout the full interferometer sequence. Thus, the approach may be suitable for use in an dynamic environment. In addition to the general principles, we discuss aspects of the experimental implementation. Supported by the Office of Naval Research (ONR) and Northrop Grumman.

  10. Synthesis and photocatalytic activity of porous bismuth oxychloride hexagonal prisms.

    PubMed

    Ding, Liyong; Chen, Huan; Wang, Qingqian; Zhou, Tengfei; Jiang, Qingqing; Yuan, Yuhong; Li, Jinlin; Hu, Juncheng

    2016-01-18

    Porous BiOCl hexagonal prisms have been successfully prepared through a simple solvothermal route. These novel BiOCl HPs with porous structures are assembled from nanoparticles and exhibit high activity and selectivity toward the photocatalytic aerobic oxidation of benzyl alcohol to benzaldehyde and degradation of methyl orange. PMID:26592759

  11. Photogrammetric processing of hexagon stereo data for change detection studies

    NASA Astrophysics Data System (ADS)

    Padmanabha, E. Anantha; Shashivardhan Reddy, P.; Narender, B.; Muralikrishnan, S.; Dadhwal, V. K.

    2014-11-01

    Hexagon satellite data acquired as a part of USA Corona program has been declassified and is accessible to general public. This image data was acquired in high resolution much before the launch of civilian satellites. However the non availability of interior and exterior orientation parameters is the main bottle neck in photogrammetric processing of this data. In the present study, an attempt was made to orient and adjust Hexagon stereo pair through Rigorous Sensor Model (RSM) and Rational Function Models (RFM). The study area is part of Western Ghats in India. For rigorous sensor modelling an arbitrary camera file is generated based on the information available in the literature and few assumptions. A terrain dependent RFM was generated for the stereo data using Cartosat-1 reference data. The model accuracy achieved for both RSM and RFM was better than one pixel. DEM and orthoimage were generated with a spacing of 50 m and Ground Sampling Distance (GSD) of 6 m to carry out the change detection with a special emphasis on water bodies with reference to recent Cartosat-1 data. About 72 new water bodies covering an area of 2300 hectares (23 sq. km) were identified in Cartosat-1 orthoimage that were not present in Hexagon data. The image data from various Corona programs like Hexagon provide a rich source of information for temporal studies. However photogrammetric processing of the data is a bit tedious due to lack of information about internal sensor geometry.

  12. Synthesis and photocatalytic activity of porous bismuth oxychloride hexagonal prisms.

    PubMed

    Ding, Liyong; Chen, Huan; Wang, Qingqian; Zhou, Tengfei; Jiang, Qingqing; Yuan, Yuhong; Li, Jinlin; Hu, Juncheng

    2016-01-18

    Porous BiOCl hexagonal prisms have been successfully prepared through a simple solvothermal route. These novel BiOCl HPs with porous structures are assembled from nanoparticles and exhibit high activity and selectivity toward the photocatalytic aerobic oxidation of benzyl alcohol to benzaldehyde and degradation of methyl orange.

  13. Energetics of a hexagonal-lamellar-hexagonal-phase transition sequence in dioleoylphosphatidylethanolamine membranes

    SciTech Connect

    Gawrisch, K.; Parsegian, V.A. ); Hajduk, D.A.; Tate, M.W.; Gruner, S.M. ); Fuller, N.L.; Rand, R.P. )

    1992-03-24

    The phase diagram of DOPE/water dispersions was investigated by NMR and X-ray diffraction in the water concentration range from 2 to 20 water molecules per lipid and in the temperature range from {minus}5 to +50C. At temperature above 22C, the dispersions form an inverse (H{sub II}) phase at all water concentrations. Below 25C, an H{sub II} phase occurs at high water concentrations, an L{sub {alpha}} phase is formed at intermediate water concentrations, and finally the system switches back to an H{sub II} phase at low water concentrations. The enthalpy of the L{sub {alpha}}-H{sub II}-phase transition is +0.3 kcal/mol as measured by differential scanning calorimetry. Using {sup 31}P and {sup 2}H NMR and X-ray diffraction. The authors measured the trapped water volumes in H{sub II} and L{sub {alpha}} phases as a function of osmotic pressure. The change of the H{sub II}-phase free energy as a function of hydration was calculated by integrating the osmotic pressure vs trapped water volume curve. The phase diagram calculated on the basis of the known enthalpy of transition and the osmotic pressure vs water volume curves is in good agreement with the measured one. The H{sub II}-L{sub {alpha}}-H{sub II} double-phase transition at temperatures below 22C can be shown to be a consequence of (1) the greater degree of hydration of the H{sub II} phase in excess water and (2) the relative sensitivities with which the lamellar and hexagonal phases dehydrate with increasing osmotic pressure. These results demonstrate the usefulness of osmotic stress measurements to understand lipid-phase diagrams.

  14. Scattering effects induced by imperfections on an acoustic black hole placed at a structural waveguide termination

    NASA Astrophysics Data System (ADS)

    Denis, V.; Pelat, A.; Gautier, F.

    2016-02-01

    The so-called "acoustic black hole" (ABH) effect is a passive vibration control technique based on the flexural waves properties in thin structure of varying thickness. A usual implementation consists in using a plate with tapered extremity with a power-law profile, covered with a thin damping layer. The inhomogeneity of the structure leads to a decrease of flexural wave speed and an increase of their amplitude, therefore resulting in an efficient energy dissipation if damping layer is placed where the thickness is minimal. The manufacture of an efficient extremity is difficult because of the small thickness, and often generates imperfections and tearing. Moreover, previous works suggest that multiple flexural modes are propagating across the width of the ABH tip. A model of an ABH multimodal waveguide taking into account an imperfect termination is developed. It shows that an elementary imperfection can affect the reflection coefficient of the extremity and reduce it. Scattering and propagation properties of the extremity are also studied. An incident mode excites several modes that are localised in the tapered region and local resonances explain the drops in the reflection coefficient. Experimental evidence of the influence of the imperfection on the reflection coefficient is provided. A key result of the paper is that manufacturing imperfections are not detrimental to the ABH effect.

  15. Effects of Imperfections on the Buckling Response of Compression-Loaded Composite Shells

    NASA Technical Reports Server (NTRS)

    Hilburger, Mark W.; Starnes, James H., Jr.

    2000-01-01

    The results of an experimental and numerical study of the effects of imperfections on the buckling response of unstiffened thin-walled composite cylindrical shells are presented. Results that identify the individual and combined effects of traditional initial geometric shell-wall imperfections and non-traditional shell-wall thickness variations, shell-end geometric imperfections and variations in loads applied to the ends of the shells on the shell buckling response are included. In addition, results illustrating the effects of manufacturing flaws in the form of gaps between adjacent pieces of graphite-epoxy tape in some of the laminate plies are presented in detail. The shells have been analyzed with a nonlinear finite-element analysis code that accurately accounts for these effects on the buckling and nonlinear responses of the shells. The numerical results indicate that traditional and nontraditional initial imperfections can cause a significant reduction in the buckling load of a compression-loaded composite shell. Furthermore, the results indicate that the imperfections couple in a nonlinear manner. The numerical results correlate well with the experimental results. The nonlinear analysis results are also compared to the results from a traditional linear bifurcation buckling analysis. The results suggest that the nonlinear analysis procedure can be used for determining accurate, high-fidelity design knockdown factors for shell buckling and collapse. The results can also be used to determine the effects of manufacturing tolerances on the buckling response of composite shells.

  16. Production inventory policies for defective items with inspection errors, sales return, imperfect rework process and backorders

    NASA Astrophysics Data System (ADS)

    Jaggi, Chandra K.; Khanna, Aditi; Kishore, Aakanksha

    2016-03-01

    In order to sustain the challenges of maintaining good quality and perfect screening process, rework process becomes a rescue to compensate for the imperfections present in the production system. The proposed model attempts to explore the existing real-life situation with a more practical approach by incorporating the concept of imperfect rework as this occurs as an unavoidable problem to the firm due to irreparable disorders even in the reworked items. Hence, a production inventory model is formulated here to study the combined effect of imperfect quality items, faulty inspection process and imperfect rework process on the optimal production quantity and optimal backorder level. An analytical method is employed to maximize the expected total profit per unit time. Moreover, the results of several previous research articles namely Chiu et al (2006), Chiu et al (2005), Salameh and Hayek (2001), and classical EPQ with shortages are deduced as special cases. To demonstrate the applicability of the model, and to observe the effects of key parameters on the optimal replenishment policy, a numerical example along with a comprehensive sensitivity analysis has been presented. The pertinence of the model can be found in most of the manufacturing industries like textile, electronics, furniture, footwear, plastics etc. A production lot size model has been explored for defectives items with inspection errors and an imperfect rework process.

  17. Thermo-electro-mechanical postbuckling of piezoelectric FG-CNTRC beams with geometric imperfections

    NASA Astrophysics Data System (ADS)

    Wu, Helong; Kitipornchai, Sritawat; Yang, Jie

    2016-09-01

    This paper presents thermo-electro-mechanical postbuckling analysis of geometrically imperfect functionally graded carbon nanotube-reinforced composite (FG-CNTRC) hybrid beams that are integrated with surface-bonded piezoelectric actuators. The material properties of FG-CNTRCs are assumed to be temperature-dependent and graded in the thickness direction. By using a generic imperfection function, various possible imperfections with different shapes and locations in the beam are considered. The theoretical formulations are based on the first-order shear deformation beam theory with von-Kármán nonlinearity. A differential quadrature approximation based iteration process is employed to obtain the postbuckling equilibrium path of piezoelectric FG-CNTRC hybrid beams under thermo-electro-mechanical loading. Parametric studies are conducted to examine the effect of geometric imperfection, distribution pattern and volume fraction of carbon nanotubes, temperature rise, actuator voltage, beam geometry and boundary conditions on the thermo-electro-mechanical postbuckling behaviour. The results show that the thermo-electro-mechanical postbuckling is considerably affected by the imperfection mode, half-wave number, location and amplitude, as well as the temperature rise and boundary conditions. The effect of applied actuator voltage is much less pronounced but tends to be relatively more noticeable as the slenderness ratio increases.

  18. Ab initio density functional theory investigation of the structural, electronic and optical properties of Ca{sub 3}Sb{sub 2} in hexagonal and cubic phases

    SciTech Connect

    Arghavani Nia, Borhan; Sedighi, Matin; Shahrokhi, Masoud; Moradian, Rostam

    2013-11-15

    A density functional theory study of structural, electronical and optical properties of Ca{sub 3}Sb{sub 2} compound in hexagonal and cubic phases is presented. In the exchange–correlation potential, generalized gradient approximation (PBE-GGA) has been used to calculate lattice parameters, bulk modulus, cohesive energy, dielectric function and energy loss spectra. The electronic band structure of this compound has been calculated using the above two approximations as well as another form of PBE-GGA, proposed by Engle and Vosko (EV-GGA). It is found that the hexagonal phase of Ca{sub 3}Sb{sub 2} has an indirect gap in the Γ→N direction; while in the cubic phase there is a direct-gap at the Γ point in the PBE-GGA and EV-GGA. Effects of applying pressure on the band structure of the system studied and optical properties of these systems were calculated. - Graphical abstract: A density functional theory study of structural, electronic and optical properties of Ca{sub 3}Sb{sub 2} compound in hexagonal and cubic phases is presented. Display Omitted - Highlights: • Physical properties of Ca{sub 3}Sb{sub 2} in hexagonal and cubic phases are investigated. • It is found that the hexagonal phase is an indirect gap semiconductor. • Ca{sub 3}Sb{sub 2} is a direct-gap semiconductor at the Γ point in the cubic phase. • By increasing pressure the semiconducting band gap and anti-symmetry gap are decreased.

  19. Propagation of SH waves in a piezoelectric/piezomagnetic plate: Effects of interfacial imperfection couplings and the related physical mechanisms

    NASA Astrophysics Data System (ADS)

    Wei, Hong-Xing; Li, Yong-Dong; Xiong, Tao; Guan, Yong

    2016-09-01

    The problem of dispersive SH wave in a piezoelectric/piezomagnetic plate that contains an imperfect interface is considered in the present work. An imperfection coupling model is adopted to describe the magnetic, electric and mechanical imperfections on the interface. A transcendental dispersion equation is derived and numerically solved to get the phase velocity. The validity of the numerical procedure is verified in a degenerated case. The effects of the coupled interfacial imperfections on the dispersion behavior of SH waves are discussed in detail and the related underlying physical mechanisms are explained.

  20. Programming Self-Assembly of DNA Origami Honeycomb Two-Dimensional Lattices and Plasmonic Metamaterials.

    PubMed

    Wang, Pengfei; Gaitanaros, Stavros; Lee, Seungwoo; Bathe, Mark; Shih, William M; Ke, Yonggang

    2016-06-22

    Scaffolded DNA origami has proven to be a versatile method for generating functional nanostructures with prescribed sub-100 nm shapes. Programming DNA-origami tiles to form large-scale 2D lattices that span hundreds of nanometers to the micrometer scale could provide an enabling platform for diverse applications ranging from metamaterials to surface-based biophysical assays. Toward this end, here we design a family of hexagonal DNA-origami tiles using computer-aided design and demonstrate successful self-assembly of micrometer-scale 2D honeycomb lattices and tubes by controlling their geometric and mechanical properties including their interconnecting strands. Our results offer insight into programmed self-assembly of low-defect supra-molecular DNA-origami 2D lattices and tubes. In addition, we demonstrate that these DNA-origami hexagon tiles and honeycomb lattices are versatile platforms for assembling optical metamaterials via programmable spatial arrangement of gold nanoparticles (AuNPs) into cluster and superlattice geometries. PMID:27224641

  1. Programming Self-Assembly of DNA Origami Honeycomb Two-Dimensional Lattices and Plasmonic Metamaterials.

    PubMed

    Wang, Pengfei; Gaitanaros, Stavros; Lee, Seungwoo; Bathe, Mark; Shih, William M; Ke, Yonggang

    2016-06-22

    Scaffolded DNA origami has proven to be a versatile method for generating functional nanostructures with prescribed sub-100 nm shapes. Programming DNA-origami tiles to form large-scale 2D lattices that span hundreds of nanometers to the micrometer scale could provide an enabling platform for diverse applications ranging from metamaterials to surface-based biophysical assays. Toward this end, here we design a family of hexagonal DNA-origami tiles using computer-aided design and demonstrate successful self-assembly of micrometer-scale 2D honeycomb lattices and tubes by controlling their geometric and mechanical properties including their interconnecting strands. Our results offer insight into programmed self-assembly of low-defect supra-molecular DNA-origami 2D lattices and tubes. In addition, we demonstrate that these DNA-origami hexagon tiles and honeycomb lattices are versatile platforms for assembling optical metamaterials via programmable spatial arrangement of gold nanoparticles (AuNPs) into cluster and superlattice geometries.

  2. Lattice Quantum Chromodynamics

    NASA Astrophysics Data System (ADS)

    Sachrajda, C. T.

    2016-10-01

    I review the the application of the lattice formulation of QCD and large-scale numerical simulations to the evaluation of non-perturbative hadronic effects in Standard Model Phenomenology. I present an introduction to the elements of the calculations and discuss the limitations both in the range of quantities which can be studied and in the precision of the results. I focus particularly on the extraction of the QCD parameters, i.e. the quark masses and the strong coupling constant, and on important quantities in flavour physics. Lattice QCD is playing a central role in quantifying the hadronic effects necessary for the development of precision flavour physics and its use in exploring the limits of the Standard Model and in searches for inconsistencies which would signal the presence of new physics.

  3. Introduction to lattice QCD

    SciTech Connect

    Gupta, R.

    1998-12-31

    The goal of the lectures on lattice QCD (LQCD) is to provide an overview of both the technical issues and the progress made so far in obtaining phenomenologically useful numbers. The lectures consist of three parts. The author`s charter is to provide an introduction to LQCD and outline the scope of LQCD calculations. In the second set of lectures, Guido Martinelli will discuss the progress they have made so far in obtaining results, and their impact on Standard Model phenomenology. Finally, Martin Luescher will discuss the topical subjects of chiral symmetry, improved formulation of lattice QCD, and the impact these improvements will have on the quality of results expected from the next generation of simulations.

  4. Maximum likelihood estimation of label imperfections and its use in the identification of mislabeled patterns

    NASA Technical Reports Server (NTRS)

    Chittineni, C. B.

    1979-01-01

    The problem of estimating label imperfections and the use of the estimation in identifying mislabeled patterns is presented. Expressions for the maximum likelihood estimates of classification errors and a priori probabilities are derived from the classification of a set of labeled patterns. Expressions also are given for the asymptotic variances of probability of correct classification and proportions. Simple models are developed for imperfections in the labels and for classification errors and are used in the formulation of a maximum likelihood estimation scheme. Schemes are presented for the identification of mislabeled patterns in terms of threshold on the discriminant functions for both two-class and multiclass cases. Expressions are derived for the probability that the imperfect label identification scheme will result in a wrong decision and are used in computing thresholds. The results of practical applications of these techniques in the processing of remotely sensed multispectral data are presented.

  5. Homogenized Finite Element Analysis on Effective Elastoplastic Mechanical Behaviors of Composite with Imperfect Interfaces

    PubMed Central

    Jiang, Wu-Gui; Zhong, Ren-Zhi; Qin, Qing H.; Tong, Yong-Gang

    2014-01-01

    A three-dimensional (3D) representative volume element (RVE) model was developed for analyzing effective mechanical behavior of fiber-reinforced ceramic matrix composites with imperfect interfaces. In the model, the fiber is assumed to be perfectly elastic until its tensile strength, and the ceramic material is modeled by an elasto-plastic Drucker-Prager constitutive law. The RVE model is then used to study the elastic properties and the tensile strength of composites with imperfect interfaces and validated through experiments. The imperfect interfaces between the fiber and the matrix are taken into account by introducing some cohesive contact surfaces. The influences of the interface on the elastic constants and the tensile strengths are examined through these interface models. PMID:25522170

  6. Algorithm for the evaluation of imperfections in auto bodywork using profiles from a retroreflective image.

    PubMed

    Barber, Ramon; Zwilling, Valerie; Salichs, Miguel A

    2014-01-01

    Nowadays the automobile industry is becoming more and more demanding as far as quality is concerned. Within the wide variety of processes in which this quality must be ensured, those regarding the squeezing of the auto bodywork are especially important due to the fact that the quality of the resulting product is tested manually by experts, leading to inaccuracies of all types. In this paper, an algorithm is proposed for the automated evaluation of the imperfections in the sheets of the bodywork after the squeezing process. The algorithm processes the profile signals from a retroreflective image and characterizes an imperfection. It is based on a convergence criterion that follows the line of the maximum gradient of the imperfection and gives its geometrical characteristics as a result: maximum gradient, length, width, and area.

  7. Stochastic analysis of the lateral-torsional buckling resistance of steel beams with random imperfections

    NASA Astrophysics Data System (ADS)

    Kala, Zdeněk

    2013-10-01

    The paper deals with the statistical analysis of resistance of a hot-rolled steel IPE beam under major axis bending. The lateral-torsional buckling stability problem of imperfect beam is described. The influence of bending moments and warping torsion on the ultimate limit state of the IPE beam with random imperfections is analyzed. The resistance is calculated by means of the close form solution. The initial geometrical imperfections of the beam are considered as the formatively identical to the first eigen mode of buckling. Changes of mean values of the resistance, of mean values of internal bending moments, of the variance of resistance and of the variance of internal bending moments were studied in dependence on the beam non-dimensional slenderness. The values of non-dimensional slenderness for which the statistical characteristics of internal moments associated with random resistance are maximal were determined.

  8. Revisiting the microtrabecular lattice.

    PubMed

    Clegg, James S

    2010-11-01

    The 'microtrabecular lattice' (MTL) that Keith Porter described in the 1970s and 1980s is reconsidered as a proposed fundamental cytoplasmic structure of eukaryotic cells. Although considered to be an artefact by most cell biologists of his time (and probably ours), the case is made that something like the MTL may well exist, but in a much more dynamic form than images from electron microscopy imply and convey.

  9. Crystallographic Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-06-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.

  10. Crystallographic Lattice Boltzmann Method.

    PubMed

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-01-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

  11. Crystallographic Lattice Boltzmann Method

    PubMed Central

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-01-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

  12. A Mechanical Lattice Aid for Crystallography Teaching.

    ERIC Educational Resources Information Center

    Amezcua-Lopez, J.; Cordero-Borboa, A. E.

    1988-01-01

    Introduces a 3-dimensional mechanical lattice with adjustable telescoping mechanisms. Discusses the crystalline state, the 14 Bravais lattices, operational principles of the mechanical lattice, construction methods, and demonstrations in classroom. Provides lattice diagrams, schemes of the lattice, and various pictures of the lattice. (YP)

  13. The performance of a piezoelectric cantilevered energy harvester with an imperfectly bonded interface

    NASA Astrophysics Data System (ADS)

    Wang, H. M.; Zou, L.

    2013-05-01

    A model based on linear electromechanical coupling theory is developed to analyze the performance of a piezoelectric cantilevered energy harvester (PCEH) with an imperfectly bonded interface. The PCEH is made of a piezoelectric layer bonded to a metallic layer and works in flexural mode. The imperfectly bonded interface is modeled by the shear-lag model. A sixth-order governing differential equation is derived and its analytical solution is obtained. The effect of the interfacial property on the dynamic behaviors and the electrical power output of the vibration-based PCEH is investigated. The presented results demonstrate that the interfacial property plays a critical role in the performance characteristics of the PCEHs.

  14. Synchronizing spatio-temporal chaos with imperfect models: A stochastic surface growth picture

    SciTech Connect

    Pazó, Diego López, Juan M.; Rodríguez, Miguel A.; Gallego, Rafael

    2014-12-01

    We study the synchronization of two spatially extended dynamical systems where the models have imperfections. We show that the synchronization error across space can be visualized as a rough surface governed by the Kardar-Parisi-Zhang equation with both upper and lower bounding walls corresponding to nonlinearities and model discrepancies, respectively. Two types of model imperfections are considered: parameter mismatch and unresolved fast scales, finding in both cases the same qualitative results. The consistency between different setups and systems indicates that the results are generic for a wide family of spatially extended systems.

  15. Postbuckling analysis of shear deformable composite flat panels taking into account geometrical imperfections

    NASA Technical Reports Server (NTRS)

    Librescu, L.; Stein, M.

    1990-01-01

    The effects of initial geometrical imperfections on the postbuckling response of flat laminated composite panels to uniaxial and biaxial compressive loading are investigated analytically. The derivation of the mathematical model on the basis of first-order transverse shear deformation theory is outlined, and numerical results for perfect and imperfect, single-layer and three-layer square plates with free-free, clamped-clamped, or free-clamped edges are presented in graphs and briefly characterized. The present approach is shown to be more accurate than analyses based on the classical Kirchhoff plate model.

  16. Controlled three-party communication using GHZ-like state and imperfect Bell-state measurement

    NASA Astrophysics Data System (ADS)

    Dong, Li; Xiu, Xiao-Ming; Gao, Ya-Jun; Ren, Yuan-Peng; Liu, Hui-Wei

    2011-02-01

    We present a controlled three-party communication protocol using Greenberger-Horne-Zeilinger (GHZ)-like state and imperfect Bell-state measurement. Using the idea of controlled quantum teleportation, it can realize the secret information transmission between the legitimate participants under the control of the controller. It needs no unitary operation to recover the original state for the receiver, and it saves half of communication cost publicized by the sender. The order rearrangement of particles and data block transmission ensure the security of communication. With imperfect Bell-state measurement, it is tolerant of some noise effects and is feasible by using the present optical technique.

  17. A 15N CPMG relaxation dispersion experiment more resistant to resonance offset and pulse imperfection

    NASA Astrophysics Data System (ADS)

    Jiang, Bin; Yu, Binhan; Zhang, Xu; Liu, Maili; Yang, Daiwen

    2015-08-01

    Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion is a powerful NMR method to study protein dynamics on the microsecond-millisecond time scale. J-coupling, resonance offset, radio frequency field inhomogeneity, and pulse imperfection often introduce systematic errors into the measured transverse relaxation rates. Here we proposed a modified continuous wave decoupling CPMG experiment, which is more unaffected by resonance offset and pulse imperfection. We found that it is unnecessary to match the decoupling field strength with the delay between CPMG refocusing pulses, provided that decoupling field is strong enough. The performance of the scheme proposed here was shown by simulations and further demonstrated experimentally on a fatty acid binding protein.

  18. Bi2Te3 hexagonal nanoplates and thermoelectric properties of n-type Bi2Te3 nanocomposites

    NASA Astrophysics Data System (ADS)

    Fan, X. A.; Yang, J. Y.; Xie, Z.; Li, K.; Zhu, W.; Duan, X. K.; Xiao, C. J.; Zhang, Q. Q.

    2007-10-01

    Bi2Te3 plate-like crystals with homogeneous hexagonal morphology were rapidly synthesized using a microwave assisted wet chemical method in 30 min. These Bi2Te3 nanoplates possessed a fixed edge with a length of ~0.5-2 µm, and the thickness was less than ~100 nm. The n-type Bi2Te3 nanocomposites were prepared by consolidating mixtures of these nanoplates and mechanically alloyed powders using plasma activated sintering, and the effect of nanoplate addition on the thermoelectric properties of the nanocomposites was investigated. When the content of the doped nanoplates was 15 wt%, the lattice thermal conductivity of the Bi2Te3 nanocomposites decreased by 18% compared with that of the undoped compounds. A preliminary investigation showed that nanopowder addition was an effective way to decrease the thermal conductivity and increase the thermoelectric efficiency.

  19. A lattice-free concept lattice update algorithm

    NASA Astrophysics Data System (ADS)

    Outrata, Jan

    2016-02-01

    Upon a change of input data, one usually wants an update of output computed from the data rather than recomputing the whole output over again. In Formal Concept Analysis, update of concept lattice of input data when introducing new objects to the data can be done by any of the so-called incremental algorithms for computing concept lattice. The algorithms use and update the lattice while introducing new objects to input data one by one. The present concept lattice of input data without the new objects is thus required by the computation. However, the lattice can be large and may not fit into memory. In this paper, we propose an efficient algorithm for updating the lattice from the present and new objects only, not requiring the possibly large concept lattice of present objects. The algorithm results as a modification of the Close-by-One algorithm for computing the set of all formal concepts, or its modifications like Fast Close-by-One, Parallel Close-by-One or Parallel Fast Close-by-One, to compute new and modified formal concepts and the changes of the lattice order relation only. The algorithm can be used not only for updating the lattice when new objects are introduced but also when some existing objects are removed from the input data or attributes of the objects are changed. We describe the algorithm, discuss efficiency issues and present an experimental evaluation of its performance and a comparison with the AddIntent incremental algorithm for computing concept lattice.

  20. Stretching the limits of membrane charge density using Dendrimer Lipids - New Highly Transfecting Hexagonal Phases for Gene Delivery

    NASA Astrophysics Data System (ADS)

    Ewert, Kai; Zidovska, Alexandra; Evans, Heather M.; Safinya, Cyrus R.

    2006-03-01

    Newly designed multivalent lipids ranging in head group charge from 4+ to 16+ have been synthesized and investigated as DNA delivery vectors. These dendritic lipids (DLs) allow a controlled study of the relationship between membrane charge density (σ) and transfection efficiency (TE). An earlier report from our group described that TE of different cationic lipids of charge 1+ to 5+ follows a common, bell shaped curve as a function of membrane charge density [1]. To further probe this universal behavior, the dendritic lipids with higher valence were designed in order to reach higher values of σ. Structural studies using x-ray diffraction reveal new phases, where cylindrical micelles of DLs form a hexagonal lattice which holds together a continuous DNA network, described as HI^C [2]. The new hexagonal phase is highly transfecting in the regime where the TE of lamellar complexes follows a decrease in the bell curve. Small angle x-ray scattering studies have revealed a rich phase diagram of micelles made from DL/DOPC mixtures. Funding provided by NIH GM-59288 and NSF DMR-0503347. [1] A. Ahmad et al., J. Gene Med., 2005, V7:739-748. [2] K. Ewert et al., J. Am. Chem. Soc., (submitted).

  1. The structure and electronic properties of hexagonal Fe2Si

    NASA Astrophysics Data System (ADS)

    Tang, Chi Pui; Tam, Kuan Vai; Xiong, Shi Jie; Cao, Jie; Zhang, Xiaoping

    2016-06-01

    On the basis of first principle calculations, we show that a hexagonal structure of Fe2Si is a ferromagnetic crystal. The result of the phonon spectra indicates that it is a stable structure. Such material exhibits a spin-polarized and half-metal-like band structure. From the calculations of generalized gradient approximation, metallic and semiconducting behaviors are observed with a direct and nearly 0 eV band gap in various spin channels. The densities of states in the vicinity of the Fermi level is mainly contributed from the d-electrons of Fe. We calculate the reflection spectrum of Fe2Si, which has minima at 275nm and 3300nm with reflectance of 0.27 and 0.49, respectively. Such results may provide a reference for the search of hexagonal Fe2Si in experiments. With this band characteristic, the material may be applied in the field of novel spintronics devices.

  2. Electrically dependent bandgaps in graphene on hexagonal boron nitride

    SciTech Connect

    Kaplan, D. Swaminathan, V.; Recine, G.

    2014-03-31

    We present first-principles calculations on the bandgap of graphene on a layer of hexagonal boron nitride in three different stacking configurations. Relative stability of the configurations is identified and bandgap tunability is demonstrated through the application of an external, perpendicularly applied electric field. We carefully examine the bandgap's sensitivity to both magnitude of the applied field as well as separation between the graphene and hexagonal boron nitride layers. Features of the band structure are examined and configuration-dependent relationships between the field and bandgap are revealed and elucidated through the atom-projected density of states. These findings suggest the potential for opening and modulating a bandgap in graphene as high as several hundred meV.

  3. A new interlayer potential for hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Akıner, Tolga; Mason, Jeremy K.; Ertürk, Hakan

    2016-09-01

    A new interlayer potential is developed for interlayer interactions of hexagonal boron nitride sheets, and its performance is compared with other potentials in the literature using molecular dynamics simulations. The proposed potential contains Coulombic and Lennard-Jones 6–12 terms, and is calibrated with recent experimental data including the hexagonal boron nitride interlayer distance and elastic constants. The potentials are evaluated by comparing the experimental and simulated values of interlayer distance, density, elastic constants, and thermal conductivity using non-equilibrium molecular dynamics. The proposed potential is found to be in reasonable agreement with experiments, and improves on earlier potentials in several respects. Simulated thermal conductivity values as a function of the number of layers and of temperature suggest that the proposed LJ 6–12 potential has the ability to predict some phonon behaviour during heat transport in the out-of-plane direction.

  4. A new interlayer potential for hexagonal boron nitride.

    PubMed

    Akıner, Tolga; Mason, Jeremy K; Ertürk, Hakan

    2016-09-28

    A new interlayer potential is developed for interlayer interactions of hexagonal boron nitride sheets, and its performance is compared with other potentials in the literature using molecular dynamics simulations. The proposed potential contains Coulombic and Lennard-Jones 6-12 terms, and is calibrated with recent experimental data including the hexagonal boron nitride interlayer distance and elastic constants. The potentials are evaluated by comparing the experimental and simulated values of interlayer distance, density, elastic constants, and thermal conductivity using non-equilibrium molecular dynamics. The proposed potential is found to be in reasonable agreement with experiments, and improves on earlier potentials in several respects. Simulated thermal conductivity values as a function of the number of layers and of temperature suggest that the proposed LJ 6-12 potential has the ability to predict some phonon behaviour during heat transport in the out-of-plane direction. PMID:27452331

  5. Zonal wavefront estimation using an array of hexagonal grating patterns

    SciTech Connect

    Pathak, Biswajit E-mail: brboruah@iitg.ernet.in; Boruah, Bosanta R. E-mail: brboruah@iitg.ernet.in

    2014-10-15

    Accuracy of Shack-Hartmann type wavefront sensors depends on the shape and layout of the lenslet array that samples the incoming wavefront. It has been shown that an array of gratings followed by a focusing lens provide a substitution for the lensslet array. Taking advantage of the computer generated holography technique, any arbitrary diffraction grating aperture shape, size or pattern can be designed with little penalty for complexity. In the present work, such a holographic technique is implemented to design regular hexagonal grating array to have zero dead space between grating patterns, eliminating the possibility of leakage of wavefront during the estimation of the wavefront. Tessellation of regular hexagonal shape, unlike other commonly used shapes, also reduces the estimation error by incorporating more number of neighboring slope values at an equal separation.

  6. Zonal wavefront estimation using an array of hexagonal grating patterns

    NASA Astrophysics Data System (ADS)

    Pathak, Biswajit; Boruah, Bosanta R.

    2014-10-01

    Accuracy of Shack-Hartmann type wavefront sensors depends on the shape and layout of the lenslet array that samples the incoming wavefront. It has been shown that an array of gratings followed by a focusing lens provide a substitution for the lensslet array. Taking advantage of the computer generated holography technique, any arbitrary diffraction grating aperture shape, size or pattern can be designed with little penalty for complexity. In the present work, such a holographic technique is implemented to design regular hexagonal grating array to have zero dead space between grating patterns, eliminating the possibility of leakage of wavefront during the estimation of the wavefront. Tessellation of regular hexagonal shape, unlike other commonly used shapes, also reduces the estimation error by incorporating more number of neighboring slope values at an equal separation.

  7. Calculation of Accurate Hexagonal Discontinuity Factors for PARCS

    SciTech Connect

    Pounders. J., Bandini, B. R. , Xu, Y, and Downar, T. J.

    2007-11-01

    In this study we derive a methodology for calculating discontinuity factors consistent with the Triangle-based Polynomial Expansion Nodal (TPEN) method implemented in PARCS for hexagonal reactor geometries. The accuracy of coarse-mesh nodal methods is greatly enhanced by permitting flux discontinuities at node boundaries, but the practice of calculating discontinuity factors from infinite-medium (zero-current) single bundle calculations may not be sufficiently accurate for more challenging problems in which there is a large amount of internodal neutron streaming. The authors therefore derive a TPEN-based method for calculating discontinuity factors that are exact with respect to generalized equivalence theory. The method is validated by reproducing the reference solution for a small hexagonal core.

  8. A new interlayer potential for hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Akıner, Tolga; Mason, Jeremy K.; Ertürk, Hakan

    2016-09-01

    A new interlayer potential is developed for interlayer interactions of hexagonal boron nitride sheets, and its performance is compared with other potentials in the literature using molecular dynamics simulations. The proposed potential contains Coulombic and Lennard-Jones 6-12 terms, and is calibrated with recent experimental data including the hexagonal boron nitride interlayer distance and elastic constants. The potentials are evaluated by comparing the experimental and simulated values of interlayer distance, density, elastic constants, and thermal conductivity using non-equilibrium molecular dynamics. The proposed potential is found to be in reasonable agreement with experiments, and improves on earlier potentials in several respects. Simulated thermal conductivity values as a function of the number of layers and of temperature suggest that the proposed LJ 6-12 potential has the ability to predict some phonon behaviour during heat transport in the out-of-plane direction.

  9. Acetone sensor based on zinc oxide hexagonal tubes

    SciTech Connect

    Hastir, Anita Singh, Onkar Anand, Kanika Singh, Ravi Chand

    2014-04-24

    In this work hexagonal tubes of zinc oxide have been synthesized by co-precipitation method. For structural, morphological, elemental and optical analysis synthesized powders were characterized by using x-ray diffraction, field emission scanning microscope, EDX, UV-visible and FTIR techniques. For acetone sensing thick films of zinc oxide have been deposited on alumina substrate. The fabricated sensors exhibited maximum sensing response towards acetone vapour at an optimum operating temperature of 400°C.

  10. Lambda modes of the neutron diffusion equation in hexagonal geometry

    SciTech Connect

    Barrachina, T.; Ginestar, D.; Verdu, G.

    2006-07-01

    A nodal collocation method is proposed to compute the dominant Lambda modes of nuclear reactor core with a hexagonal geometry. This method is based on a triangular mesh and assumes that the neutronic flux can be approximated as a finite expansion in terms of Dubiner's polynomials. The method transforms the initial differential eigenvalue problem into a generalized algebraic one, from which the dominant modes of the reactor can be computed. The performance of the method is tested with two benchmark problems. (authors)

  11. Supercritical fluid synthesis of magnetic hexagonal nanoplatelets of magnetite.

    PubMed

    Li, Zhonglai; Godsell, Jeffrey F; O'Byrne, Justin P; Petkov, Nikolay; Morris, Michael A; Roy, Saibal; Holmes, Justin D

    2010-09-15

    A supercritical fluid technique was used to prepare hexagonal nanoplatelets of magnetite. Ferrocene was used as the Fe source, and sc-CO(2) acted as both a solvent and oxygen source in the process. Powder X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and magnetic measurements were used to characterize the products. It was found that the morphology and structure of the product strongly depended on the reaction conditions.

  12. Honeybee combs: how the circular cells transform into rounded hexagons.

    PubMed

    Karihaloo, B L; Zhang, K; Wang, J

    2013-09-01

    We report that the cells in a natural honeybee comb have a circular shape at 'birth' but quickly transform into the familiar rounded hexagonal shape, while the comb is being built. The mechanism for this transformation is the flow of molten visco-elastic wax near the triple junction between the neighbouring circular cells. The flow may be unconstrained or constrained by the unmolten wax away from the junction. The heat for melting the wax is provided by the 'hot' worker bees.

  13. Hexagonal ice stability and growth in the presence of glyoxal and secondary organic aerosols.

    PubMed

    Daskalakis, Vangelis; Hadjicharalambous, Marios

    2014-09-01

    The presence of ice dominates the microphysics of formation of high altitude cirrus and polar stratospheric clouds, as well as the maturity of thunderstorms. We report on the hexagonal (1h) ice stability and growth in binary as well as multi-compound aerosols in atmospherically relevant conformations. The ubiquitous atmospheric trace gas glyoxal along with secondary organic aerosol (SOA) also in the presence of CO2 interacts with large ice 1h crystals of 1300-2000 water molecules. The crystals are subjected to phase transitions under superheating and supercooling conditions by Molecular Dynamics (MD) simulations. Density Functional Theory (DFT) based geometry optimization and vibrational frequency analysis are also employed for a smaller ice 1h cell of 12 water molecules. The interaction of the latter with each organic molecule reveals the extent of the mechanical stress exerted on the ordered ice structure. Full hydration of glyoxal promotes ice 1h stability and growth in wet aerosols, while partial hydration or full oxidation exerts a destabilizing effect on the ice 1h lattice. This behavior is associated with the ability of each organic phase to match the order of the ice 1h crystal. We propose that aqueous chemistry in wet aerosols may also have a strong effect on the microphysics of cloud formation.

  14. Modulating memristive performance of hexagonal WO3 nanowire by water-oxidized hydrogen ion implantation.

    PubMed

    Zhou, Yong; Peng, Yuehua; Yin, Yanling; Zhou, Fang; Liu, Chang; Ling, Jing; Lei, Le; Zhou, Weichang; Tang, Dongsheng

    2016-01-01

    In a two-terminal Au/hexagonal WO3 nanowire/Au device, ions drifting or carriers self-trapping under external electrical field will modulate the Schottky barriers between the nanowire and electrodes, and then result in memristive effect. When there are water molecules adsorbed on the surface of WO3 nanowire, hydrogen ions will generate near the positively-charged electrode and transport in the condensed water film, which will enhance the memristive performance characterized by analogic resistive switching remarkably. When the bias voltage is swept repeatedly under high relative humidity level, hydrogen ions will accumulate on the surface and then implant into the lattice of the WO3 nanowire, which leads to a transition from semiconducting WO3 nanowire to metallic HxWO3 nanowire. This insulator-metal transition can be realized more easily after enough electron-hole pairs being excited by laser illumination. The concentration of hydrogen ions in HxWO3 nanowire will decrease when the device is exposed to oxygen atmosphere or the bias voltage is swept in atmosphere with low relative humidity. By modulating the concentration of hydrogen ions, conductive hydrogen tungsten bronze filament might form or rupture near electrodes when the polarity of applied voltage changes, which will endow the device with memristive performance characterized by digital resistive switching. PMID:27600368

  15. The vertical transport properties of misoriented graphene/hexagonal-boron-nitride/graphene heterostructure devices

    NASA Astrophysics Data System (ADS)

    Ge, Supeng; Habib, Masum; Lake, Roger; Latte Team

    Hexagonal boron nitride (hBN) has an atomically smooth surface free of dangling bonds, minimal lattice mismatch with graphene and a wide band gap, which makes it an ideal insulator material for graphene devices. Recently, transistor devices made with the few layers of hBN sandwiched between two layers of graphene has attracted attention since interesting phenomenon such as negative differential resistance has been observed. In experiment, the device fabrication usually gives rise to random orientation of interfaces. To have a better understanding of the effect of misorientation, we employed non-equilibrium Greens function (NEGF) method to calculate transmission across graphene/hBN/graphene hererostructures devices. We find that the rotation can cause the transmission to change by more than one order of magnitude. The resistance and current as functions of h-BN layer thickness, commensurate rotation angles, gating voltage, and bias voltage are described. Acknowledgement: This work is supported in part by FAME, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA.

  16. Hexagonal ice stability and growth in the presence of glyoxal and secondary organic aerosols.

    PubMed

    Daskalakis, Vangelis; Hadjicharalambous, Marios

    2014-09-01

    The presence of ice dominates the microphysics of formation of high altitude cirrus and polar stratospheric clouds, as well as the maturity of thunderstorms. We report on the hexagonal (1h) ice stability and growth in binary as well as multi-compound aerosols in atmospherically relevant conformations. The ubiquitous atmospheric trace gas glyoxal along with secondary organic aerosol (SOA) also in the presence of CO2 interacts with large ice 1h crystals of 1300-2000 water molecules. The crystals are subjected to phase transitions under superheating and supercooling conditions by Molecular Dynamics (MD) simulations. Density Functional Theory (DFT) based geometry optimization and vibrational frequency analysis are also employed for a smaller ice 1h cell of 12 water molecules. The interaction of the latter with each organic molecule reveals the extent of the mechanical stress exerted on the ordered ice structure. Full hydration of glyoxal promotes ice 1h stability and growth in wet aerosols, while partial hydration or full oxidation exerts a destabilizing effect on the ice 1h lattice. This behavior is associated with the ability of each organic phase to match the order of the ice 1h crystal. We propose that aqueous chemistry in wet aerosols may also have a strong effect on the microphysics of cloud formation. PMID:25033409

  17. Modulating memristive performance of hexagonal WO3 nanowire by water-oxidized hydrogen ion implantation

    PubMed Central

    Zhou, Yong; Peng, Yuehua; Yin, Yanling; Zhou, Fang; Liu, Chang; Ling, Jing; Lei, Le; Zhou, Weichang; Tang, Dongsheng

    2016-01-01

    In a two-terminal Au/hexagonal WO3 nanowire/Au device, ions drifting or carriers self-trapping under external electrical field will modulate the Schottky barriers between the nanowire and electrodes, and then result in memristive effect. When there are water molecules adsorbed on the surface of WO3 nanowire, hydrogen ions will generate near the positively-charged electrode and transport in the condensed water film, which will enhance the memristive performance characterized by analogic resistive switching remarkably. When the bias voltage is swept repeatedly under high relative humidity level, hydrogen ions will accumulate on the surface and then implant into the lattice of the WO3 nanowire, which leads to a transition from semiconducting WO3 nanowire to metallic HxWO3 nanowire. This insulator-metal transition can be realized more easily after enough electron-hole pairs being excited by laser illumination. The concentration of hydrogen ions in HxWO3 nanowire will decrease when the device is exposed to oxygen atmosphere or the bias voltage is swept in atmosphere with low relative humidity. By modulating the concentration of hydrogen ions, conductive hydrogen tungsten bronze filament might form or rupture near electrodes when the polarity of applied voltage changes, which will endow the device with memristive performance characterized by digital resistive switching. PMID:27600368

  18. An energy stable, hexagonal finite difference scheme for the 2D phase field crystal amplitude equations

    NASA Astrophysics Data System (ADS)

    Guan, Zhen; Heinonen, Vili; Lowengrub, John; Wang, Cheng; Wise, Steven M.

    2016-09-01

    In this paper we construct an energy stable finite difference scheme for the amplitude expansion equations for the two-dimensional phase field crystal (PFC) model. The equations are formulated in a periodic hexagonal domain with respect to the reciprocal lattice vectors to achieve a provably unconditionally energy stable and solvable scheme. To our knowledge, this is the first such energy stable scheme for the PFC amplitude equations. The convexity of each part in the amplitude equations is analyzed, in both the semi-discrete and fully-discrete cases. Energy stability is based on a careful convexity analysis for the energy (in both the spatially continuous and discrete cases). As a result, unique solvability and unconditional energy stability are available for the resulting scheme. Moreover, we show that the scheme is point-wise stable for any time and space step sizes. An efficient multigrid solver is devised to solve the scheme, and a few numerical experiments are presented, including grain rotation and shrinkage and grain growth studies, as examples of the strength and robustness of the proposed scheme and solver.

  19. Magneto-optical and magneto-transport studies of hexagonal artificial spin ice nano-structures

    NASA Astrophysics Data System (ADS)

    Olivari, Simon; Esien, Kane; Read, Dan

    2015-03-01

    Artificial spin ice structures have attracted a great deal of attention recently and may prove to be useful analogues for frustrated magnetic systems, such as bulk spin ice materials. We will present the results of studying these structures by utilising magneto optical Kerr effect (MOKE) and magneto-transport measurements. We have fabricated hexagonal (also sometimes known as honeycomb) ASI structures from metallic ferromagnetic islands having dimensions close to 1 μm long, 100nm wide and 10nm thick. We have made electrical transport measurements of two types of structure both having similar geometry and electrically connected islands, however the first samples have magnetically connected elements forming the honeycomb networks whereas the second set of samples are formed from magnetically isolated islands. Comparing these structures allows an assessment of the relative contributions from magnetic domain wall (DW) motion and from magnetostatic interactions. The magneto-optical measurements have been made as a function of angle between the field direction and the lattice. The properties observed with NiFe and Co fabricated nanostructures are discussed in relation to the geometries described above.

  20. Monte Carlo Study of the Diffusion of CO Molecules inside Anthraquinone Hexagons on Cu(111)

    NASA Astrophysics Data System (ADS)

    Kim, Kwangmoo; Einstein, T. L.; Wyrick, Jon; Bartels, Ludwig

    2010-03-01

    Using Monte Carlo calculations of the two-di-men-sion-al (2D) lattice gas model, we study the diffusion of CO molecules inside anthraquinone (AQ) hexagons on a Cu(111) plane. We use experimentally-derived CO-CO interactionsfootnotetextK.L. Wong, , L. Bartels, J. Chem.Phys.123, 201102 (2005) and the analytic expression for the long-range surface-state- mediated interactionsfootnotetextK. Berland, TLE, and P. Hyldgaard, Phys.Rev. B 80, 155431 (2009) to describe the CO-AQ interactions. We assume that the CO-CO interactions are not affected by the presence of AQ's and that the CO-AQ interactions can be controlled by varying the intra-surface-state (ISS) reflectance r and the ISS phase shift δ of the indirect-electronic adsorbate-pair interactions. Comparing our results with experimental observations, we find that not only pair but also surface-state-mediated trio interactionsfootnotetextP. Hyldgaard and T.L. Einstein, EPL 59, 265 (2002) are needed to understand the data.

  1. New crystal structures in hexagonal CuInS2 nanocrystals

    NASA Astrophysics Data System (ADS)

    Shen, Xiao; Hernández-Pagan, Emil A.; Zhou, Wu; Puzyrev, Yevgeniy S.; Idrobo, Juan C.; MacDonald, Janet E.; Pennycook, Stephen J.; Pantelides, Sokrates T.

    2013-03-01

    CuInS2 is one of the best candidate materials for solar energy harvesting. Its nanocrystals with a hexagonal lattice structure that is different from the bulk chalcopyrite phase have been synthesized by many groups. The structure of these CuInS2 nanocrystals has been previously identified as the wurtzite structure in which the copper and indium atoms randomly occupy the cation sites. Using first-principles total energy and electronic structure calculations based on density functional theory, UV-vis absorption spectroscopy, X-ray diffraction, and atomic resolution Z-contrast images obtained in an aberration-corrected scanning transmission electron microscope, we show that CuInS2 nanocrystals do not form random wurtzite structure. Instead, the CuInS2 nanocrystals consist of several wurtzite- related crystal structures with ordered cation sublattices, some of which are reported for the first time here. This work is supported by the NSF TN-SCORE (JEM), by NSF (WZ), by ORNL's Shared Research Equipment User Program (JCI) sponsored by DOE BES, by DOE BES Materials Sciences and Engineering Division (SJP, STP), and used resources of the National Energy Research Scientific Computing Center, supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231.

  2. Modulating memristive performance of hexagonal WO3 nanowire by water-oxidized hydrogen ion implantation.

    PubMed

    Zhou, Yong; Peng, Yuehua; Yin, Yanling; Zhou, Fang; Liu, Chang; Ling, Jing; Lei, Le; Zhou, Weichang; Tang, Dongsheng

    2016-01-01

    In a two-terminal Au/hexagonal WO3 nanowire/Au device, ions drifting or carriers self-trapping under external electrical field will modulate the Schottky barriers between the nanowire and electrodes, and then result in memristive effect. When there are water molecules adsorbed on the surface of WO3 nanowire, hydrogen ions will generate near the positively-charged electrode and transport in the condensed water film, which will enhance the memristive performance characterized by analogic resistive switching remarkably. When the bias voltage is swept repeatedly under high relative humidity level, hydrogen ions will accumulate on the surface and then implant into the lattice of the WO3 nanowire, which leads to a transition from semiconducting WO3 nanowire to metallic HxWO3 nanowire. This insulator-metal transition can be realized more easily after enough electron-hole pairs being excited by laser illumination. The concentration of hydrogen ions in HxWO3 nanowire will decrease when the device is exposed to oxygen atmosphere or the bias voltage is swept in atmosphere with low relative humidity. By modulating the concentration of hydrogen ions, conductive hydrogen tungsten bronze filament might form or rupture near electrodes when the polarity of applied voltage changes, which will endow the device with memristive performance characterized by digital resistive switching.

  3. EBSD study of substrate-mediated growth of hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Dias, J.; Kidambi, P. R.; Hofmann, S.; Ducati, C.

    2014-06-01

    Hexagonal Boron Nitride (h-BN) is a promising insulating material to complement and enable graphene electronics. Given the good lattice match to graphite, graphene/h-BN heterostructures may be grown with negligible amounts of strain and defect states, resulting in high carrier mobilities approaching values for suspended graphene. Chemical vapour deposition (CVD) has emerged as one of the preferred routes for the synthesis of 2D materials for electronic applications. Here we report on the growth of h-BN by low pressure CVD, using borazine as a precursor. Electron backscattered diffraction (EBSD) in conjunction with topographic imaging in the scanning electron microscope are used to investigate the change in crystal structure and orientation of three metallic catalyst substrates: Co, Ni and Cu, by high temperature processing and the growth of nanoscale h-BN domains. The behaviour of the metal foils is interpreted in light of the prevalent growth models. EBSD and imaging conditions are optimized to allow efficient acquisitions for these composite and nanostructured specimens.

  4. Kitaev anisotropy induces mesoscopic Z2 vortex crystals in frustrated hexagonal antiferromagnets

    NASA Astrophysics Data System (ADS)

    Rousochatzakis, Ioannis; Rössler, Ulrich K.; van den Brink, Jeroen; Daghofer, Maria

    2016-03-01

    The triangular-lattice Heisenberg antiferromagnet (HAF) is known to carry topological Z2 vortex excitations which form a gas at finite temperatures. Here we show that the spin-orbit interaction, introduced via a Kitaev term in the exchange Hamiltonian, condenses these vortices into a triangular Z2 vortex crystal at zero temperature. The cores of the Z2 vortices show abrupt, soliton-like magnetization modulations and arise by a special intertwining of three honeycomb superstructures of ferromagnetic domains, one for each of the three sublattices of the 120∘ state of the pure HAF. This is an example of a nucleation transition, analogous to the spontaneous formation of magnetic domains, Abrikosov vortices in type-II superconductors, blue phases in cholesteric liquid crystals, and skyrmions in chiral helimagnets. As the mechanism relies on the interplay of geometric frustration and spin-orbital anisotropies, such vortex mesophases can materialize as a ground state property in spin-orbit coupled correlated systems with nearly hexagonal topology, as in triangular or strongly frustrated honeycomb iridates.

  5. Transitional liquid crystalline phases between the hexagonal and lamellar phases in ternary cesium N-tetradecanoate-water-additive mixtures

    SciTech Connect

    Blackburn, J.C.; Kilpatrick, P.K. )

    1993-04-01

    The effects of added salt (CsOH, CsCl), long-chain carboxylic acid, and long-chain alcohol on the lyotropic liquid crystalline phase behavior in the cesium n-tetradecanoate (CsTD)-water system is reported. The transitional region between the hexagonal (H) and lamellar (L) phases was the compositional range of focus. Three transitional phases were observed: (i) the ribbon (R) phase, a biaxial phase consisting of cylinders of ellipsoidal cross section; (ii) the viscous isotropic (VI) phase, an isotropic phase thought to consist of interconnected rods on an Ia3d lattice; and (iii) the intermediate (Int) phase, a uniaxial anisotropic phase thought to consist of interconnected rods on a planar lattice. The effect of the additives was to decrease the interfacial curvature of the surfactant head group layer by varying head group repulsion and by varying the surfactant tail volume relative to the surfactant head group area. These changes resulted in formation of transitional phases seeming to possess curvature between that of the cylindrical H phase and the planar L phase. The ionic repulsion between carboxylate head groups was reduced by the addition of CsOH or CsCl, and resulted in destabilization of the VI phase and the formation of the anisotropic Int phase. With the addition of cosurfactants, n-tetradecanoic acid (TDA) and 1-tetradecanol (TDOH), no Int phase was observed. With 7 wt% added TDA the R phase was stabilized up to temperatures of 336 K, above the 330 K temperature limit in the binary CsTD-D[sub 2]O system. In all four systems, sufficient additive (5-10 wt%) resulted in a transition to the L phase, which was stable over a large portion of the compositional range. In order of apparently decreasing mean curvature, the phase sequence is: hexagonal, ribbon, viscous isotropic, intermediate, and lamellar.

  6. Influence of lattice defects on the ferromagnetic resonance behaviour of 2D magnonic crystals

    PubMed Central

    Manzin, Alessandra; Barrera, Gabriele; Celegato, Federica; Coïsson, Marco; Tiberto, Paola

    2016-01-01

    This paper studies, from a modelling point of view, the influence of randomly distributed lattice defects (non-patterned areas and variable hole size) on the ferromagnetic resonance behaviour and spin wave mode profiles of 2D magnonic crystals based on Ni80Fe20 antidot arrays with hexagonal lattice. A reference sample is first defined via the comparison of experimental and simulated hysteresis loops and magnetoresistive curves of patterned films, prepared by self-assembly of polystyrene nanospheres. Second, a parametric analysis of the dynamic response is performed, investigating how edge, quasi-uniform and localized modes are affected by alterations of the lattice geometry and bias field amplitude. Finally, some results about the possible use of magnetic antidot arrays in frequency-based sensors for magnetic bead detection are presented, highlighting the need for an accurate control of microstructural features. PMID:26911336

  7. Hard-core bosons on the kagome lattice: valence-bond solids and their quantum melting.

    PubMed

    Isakov, S V; Wessel, S; Melko, R G; Sengupta, K; Kim, Yong Baek

    2006-10-01

    Using large scale quantum Monte Carlo simulations and dual vortex theory, we analyze the ground state phase diagram of hard-core bosons on the kagome lattice with nearest-neighbor repulsion. In contrast with the case of a triangular lattice, no supersolid emerges for strong interactions. While a uniform superfluid prevails at half filling, two novel solid phases emerge at densities rho=1/3 and rho=2/3. These solids exhibit an only partial ordering of the bosonic density, allowing for local resonances on a subset of hexagons of the kagome lattice. We provide evidence for a weakly first-order phase transition at the quantum melting point between these solid phases and the superfluid.

  8. Hard-Core Bosons on the Kagome Lattice: Valence-Bond Solids and Their Quantum Melting

    NASA Astrophysics Data System (ADS)

    Isakov, S. V.; Wessel, S.; Melko, R. G.; Sengupta, K.; Kim, Yong Baek

    2006-10-01

    Using large scale quantum Monte Carlo simulations and dual vortex theory, we analyze the ground state phase diagram of hard-core bosons on the kagome lattice with nearest-neighbor repulsion. In contrast with the case of a triangular lattice, no supersolid emerges for strong interactions. While a uniform superfluid prevails at half filling, two novel solid phases emerge at densities ρ=1/3 and ρ=2/3. These solids exhibit an only partial ordering of the bosonic density, allowing for local resonances on a subset of hexagons of the kagome lattice. We provide evidence for a weakly first-order phase transition at the quantum melting point between these solid phases and the superfluid.

  9. Calculation of Resonance Reaction Rates in Reactor Lattices Using Resonance Profile Tabulations.

    1982-02-01

    Version 00 The OZMA code solves the neutron transport equation for a reactor lattice unit cell at energies which lie in the resolved resonance regions of the lattice nuclides. Spherical, slab, cylindrical, square and hexagonal geometries can be handled. OZMA is most readily applied as a sophisticated resonance module for the HAMMER lattice code. It is more flexible and more accurate than the resonance treatments provided in HAMMER itself in the resolved resonance region. Inmore » particular, mixtures of numerous resonance nuclides can be handled simultaneously rather than by individual resonance treatments. The results obtained by OZMA can also be used as reference values against which simpler resonance treatments can be checked.« less

  10. Large Area Stress Distribution in Crystalline Materials Calculated from Lattice Deformation Identified by Electron Backscatter Diffraction

    PubMed Central

    Shao, Yongliang; Zhang, Lei; Hao, Xiaopeng; Wu, Yongzhong; Dai, Yuanbin; Tian, Yuan; Huo, Qin

    2014-01-01

    We report a method to obtain the stress of crystalline materials directly from lattice deformation by Hooke's law. The lattice deformation was calculated using the crystallographic orientations obtained from electron backscatter diffraction (EBSD) technology. The stress distribution over a large area was obtained efficiently and accurately using this method. Wurtzite structure gallium nitride (GaN) crystal was used as the example of a hexagonal crystal system. With this method, the stress distribution of a GaN crystal was obtained. Raman spectroscopy was used to verify the stress distribution. The cause of the stress distribution found in the GaN crystal was discussed from theoretical analysis and EBSD data. Other properties related to lattice deformation, such as piezoelectricity, can also be analyzed by this novel approach based on EBSD data. PMID:25091314

  11. VHTR Prismatic Super Lattice Model for Equilibrium Fuel Cycle Analysis

    SciTech Connect

    G. S. Chang

    2006-09-01

    The advanced Very High Temperature gas-cooled Reactor (VHTR), which is currently being developed, achieves simplification of safety through reliance on innovative features and passive systems. One of the VHTRs innovative features is the reliance on ceramic-coated fuel particles to retain the fission products under extreme accident conditions. The effect of the random fuel kernel distribution in the fuel prismatic block is addressed through the use of the Dancoff correction factor in the resonance treatment. However, if the fuel kernels are not perfect black absorbers, the Dancoff correction factor is a function of burnup and fuel kernel packing factor, which requires that the Dancoff correction factor be updated during Equilibrium Fuel Cycle (EqFC) analysis. An advanced Kernel-by-Kernel (K-b-K) hexagonal super lattice model can be used to address and update the burnup dependent Dancoff effect during the EqFC analysis. The developed Prismatic Super Homogeneous Lattice Model (PSHLM) is verified by comparing the calculated burnup characteristics of the double-heterogeneous Prismatic Super Kernel-by-Kernel Lattice Model (PSK-b-KLM). This paper summarizes and compares the PSHLM and PSK-b-KLM burnup analysis study and results. This paper also discusses the coupling of a Monte-Carlo code with fuel depletion and buildup code, which provides the fuel burnup analysis tool used to produce the results of the VHTR EqFC burnup analysis.

  12. Realization of Ground State Artificial Skyrmion Lattices at Room Temperature

    NASA Astrophysics Data System (ADS)

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew J.; Kirby, Brian J.; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Fischer, Peter; Liu, Kai

    Artificial skyrmion lattices stable at ambient conditions offer a convenient and powerful platform to explore skyrmion physics and topological phenomena and motivates their inclusion in next-generation data and logic devices. In this work we present direct experimental evidence of artificial skyrmion lattices with a stable ground state at room temperature. Our approach is to pattern vortex-state Co nanodots (560 nm diameter) in hexagonal arrays on top of a Co/Pd multilayer with perpendicular magnetic anisotropy; the skyrmion state is prepared using a specific magnetic field sequence. Ion irradiation has been employed to suppress PMA in the underlayer and allow imprinting of the vortex structure from the nanodots to form skyrmion lattices, as revealed by polarized neutron reflectometry. Circularity control is realized through Co dot shape asymmetry, and confirmed by microscopy and FORC magnetometry. The vortex polarity is set during the field sequence and confirmed by magnetometry. Spin-transport studies further demonstrate a sensitivity to the skyrmion spin texture.Work supported by NSF (DMR-1008791, ECCS-1232275 and DMR-1543582)

  13. Discovery of Superconductivity in Hard Hexagonal ε-NbN.

    PubMed

    Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

    2016-02-29

    Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments.

  14. Hexagonal Undersampling for Faster MR Imaging near Metallic Implants

    PubMed Central

    Sveinsson, Bragi; Worters, Pauline W; Gold, Garry E; Hargreaves, Brian A

    2014-01-01

    Purpose Slice encoding for metal artifact correction (SEMAC) acquires a 3D image of each excited slice with view-angle tilting to reduce slice and readout direction artifacts respectively, but requires additional imaging time. The purpose of this study is to provide a technique for faster imaging around metallic implants by undersampling k-space. Methods Assuming that areas of slice distortion are localized, hexagonal sampling can reduce imaging time by 50% compared with conventional scans. This work demonstrates this technique by comparisons of fully sampled images with undersampled images, either from simulations from fully acquired data or from data actually undersampled during acquisition, in patients and phantoms. Hexagonal sampling is also shown to be compatible with parallel imaging and partial Fourier acquisitions. Image quality was evaluated using a structural similarity index (SSIM). Results Images acquired with hexagonal undersampling had no visible difference in artifact suppression from fully sampled images. The SSIM index indicated high similarity to fully sampled images in all cases. Conclusion The study demonstrates the ability to reduce scan time by undersampling without compromising image quality. PMID:24549782

  15. Femtosecond laser direct writing of monocrystalline hexagonal silver prisms

    SciTech Connect

    Vora, Kevin; Kang, SeungYeon; Moebius, Michael; Mazur, Eric

    2014-10-06

    Bottom-up growth methods and top-down patterning techniques are both used to fabricate metal nanostructures, each with a distinct advantage: One creates crystalline structures and the other offers precise positioning. Here, we present a technique that localizes the growth of metal crystals to the focal volume of a laser beam, combining advantages from both approaches. We report the fabrication of silver nanoprisms—hexagonal nanoscale silver crystals—through irradiation with focused femtosecond laser pulses. The growth of these nanoprisms is due to a nonlinear optical interaction between femtosecond laser pulses and a polyvinylpyrrolidone film doped with silver nitrate. The hexagonal nanoprisms have bases hundreds of nanometers in size and the crystal growth occurs over exposure times of less than 1 ms (8 orders of magnitude faster than traditional chemical techniques). Electron backscatter diffraction analysis shows that the hexagonal nanoprisms are monocrystalline. The fabrication method combines advantages from both wet chemistry and femtosecond laser direct-writing to grow silver crystals in targeted locations. The results presented in this letter offer an approach to directly positioning and growing silver crystals on a substrate, which can be used for plasmonic devices.

  16. Discovery of superconductivity in hard hexagonal ε-NbN

    DOE PAGES

    Zou, Yongtao; Li, Qiang; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; et al

    2016-02-29

    Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ~11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bondingmore » in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ~20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (~227 GPa). Furthermore, this exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments.« less

  17. Cubic and hexagonal liquid crystals as drug delivery systems.

    PubMed

    Chen, Yulin; Ma, Ping; Gui, Shuangying

    2014-01-01

    Lipids have been widely used as main constituents in various drug delivery systems, such as liposomes, solid lipid nanoparticles, nanostructured lipid carriers, and lipid-based lyotropic liquid crystals. Among them, lipid-based lyotropic liquid crystals have highly ordered, thermodynamically stable internal nanostructure, thereby offering the potential as a sustained drug release matrix. The intricate nanostructures of the cubic phase and hexagonal phase have been shown to provide diffusion controlled release of active pharmaceutical ingredients with a wide range of molecular weights and polarities. In addition, the biodegradable and biocompatible nature of lipids demonstrates the minimum toxicity and thus they are used for various routes of administration. Therefore, the research on lipid-based lyotropic liquid crystalline phases has attracted a lot of attention in recent years. This review will provide an overview of the lipids used to prepare cubic phase and hexagonal phase at physiological temperature, as well as the influencing factors on the phase transition of liquid crystals. In particular, the most current research progresses on cubic and hexagonal phases as drug delivery systems will be discussed. PMID:24995330

  18. Discovery of Superconductivity in Hard Hexagonal ε-NbN

    PubMed Central

    Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

    2016-01-01

    Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments. PMID:26923318

  19. Cubic and Hexagonal Liquid Crystals as Drug Delivery Systems

    PubMed Central

    Chen, Yulin; Ma, Ping; Gui, Shuangying

    2014-01-01

    Lipids have been widely used as main constituents in various drug delivery systems, such as liposomes, solid lipid nanoparticles, nanostructured lipid carriers, and lipid-based lyotropic liquid crystals. Among them, lipid-based lyotropic liquid crystals have highly ordered, thermodynamically stable internal nanostructure, thereby offering the potential as a sustained drug release matrix. The intricate nanostructures of the cubic phase and hexagonal phase have been shown to provide diffusion controlled release of active pharmaceutical ingredients with a wide range of molecular weights and polarities. In addition, the biodegradable and biocompatible nature of lipids demonstrates the minimum toxicity and thus they are used for various routes of administration. Therefore, the research on lipid-based lyotropic liquid crystalline phases has attracted a lot of attention in recent years. This review will provide an overview of the lipids used to prepare cubic phase and hexagonal phase at physiological temperature, as well as the influencing factors on the phase transition of liquid crystals. In particular, the most current research progresses on cubic and hexagonal phases as drug delivery systems will be discussed. PMID:24995330

  20. Hexagonal OsB2: Sintering, microstructure and mechanical properties

    DOE PAGES

    Xie, Zhilin; Lugovy, Mykola; Orlovskaya, Nina; Graule, Thomas; Kuebler, Jakob; Mueller, Martin; Gao, Huili; Radovic, Miladin; Cullen, David A.

    2015-02-07

    In this study, the metastable high pressure ReB2-type hexagonal OsB2 bulk ceramics was produced by spark plasma sintering. The phase composition, microstructure, and mechanical behavior of the sintered OsB2 were studied by X-ray diffraction, optical microscopy, TEM, SEM, EDS, and nanoindentation. The produced ceramics was rather porous and contained a mixture of hexagonal (~80 wt.%) and orthorhombic (~20 wt.%) phases as identified by X-ray diffraction and EBSD analysis. Two boron-rich phases, which do not contain Os, were also identified by TEM and SEM/EDS analysis. Nanoindentation measurements yielded a hardness of 31 ± 9 GPa and Young’s modulus of 574 ±more » 112 GPa, indicating that the material is rather hard and very stiff; but, it is very prone to crack formation and propagation, which is indicative of a very brittle nature of this material. Improvements in the sintering regime are required in order to produce dense, homogeneous and single phase hexagonal OsB2 bulk ceramics.« less

  1. Discovery of Superconductivity in Hard Hexagonal ε-NbN.

    PubMed

    Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

    2016-01-01

    Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments. PMID:26923318

  2. Discovery of Superconductivity in Hard Hexagonal ε-NbN

    NASA Astrophysics Data System (ADS)

    Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

    2016-02-01

    Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments.

  3. Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

    SciTech Connect

    Beloy, K.

    2010-09-15

    We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10{sup -18} and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

  4. Single identities for lattice theory and for weakly associative lattices

    SciTech Connect

    McCune, W.; Padmanabhan, R.

    1995-03-13

    We present a single identity for the variety of all lattices that is much simpler than those previously known to us. We also show that the variety of weakly associative lattices is one-based, and we present a generalized one-based theorem for subvarieties of weakly associative lattices that can be defined with absorption laws. The automated theorem-proving program OTTER was used in substantial way to obtain the results.

  5. Engineered nonlinear lattices.

    PubMed

    Clausen, C B; Christiansen, P L; Torner, L; Gaididei, Y B

    1999-11-01

    We show that with the quasi-phase-matching technique it is possible to fabricate stripes of nonlinearity that trap and guide light like waveguides. We investigate an array of such stripes and find that when the stripes are sufficiently narrow, the beam dynamics is governed by a quadratic nonlinear discrete equation. The proposed structure therefore provides an experimental setting for exploring discrete effects in a controlled manner. In particular, we show propagation of breathers that are eventually trapped by discreteness. When the stripes are wide the beams evolve in a structure we term a quasilattice, which interpolates between a lattice system and a continuous system. PMID:11970457

  6. A cellular automaton implementation of a quantum battle of the sexes game with imperfect information

    NASA Astrophysics Data System (ADS)

    Alonso-Sanz, Ramón

    2015-10-01

    The dynamics of a spatial quantum formulation of the iterated battle of the sexes game with imperfect information is studied in this work. The game is played with variable entangling in a cellular automata manner, i.e. with local and synchronous interaction. The effect of spatial structure is assessed in fair and unfair scenarios.

  7. Let Cinderella and Luke Skywalker Help You Teach the Passe Compose and Imperfect.

    ERIC Educational Resources Information Center

    Terry, Robert M.

    Instructional materials for the passe compose and imperfect tenses in French use the technique of presenting familiar stories in the foreign language, written in the present tense, which students must place in the past by changing verb forms. The objective is to avoid the disadvantages of simply translating verb tenses and to allow the student to…

  8. Security analysis on some experimental quantum key distribution systems with imperfect optical and electrical devices

    NASA Astrophysics Data System (ADS)

    Liang, Lin-Mei; Sun, Shi-Hai; Jiang, Mu-Sheng; Li, Chun-Yan

    2014-10-01

    In general, quantum key distribution (QKD) has been proved unconditionally secure for perfect devices due to quantum uncertainty principle, quantum noncloning theorem and quantum nondividing principle which means that a quantum cannot be divided further. However, the practical optical and electrical devices used in the system are imperfect, which can be exploited by the eavesdropper to partially or totally spy the secret key between the legitimate parties. In this article, we first briefly review the recent work on quantum hacking on some experimental QKD systems with respect to imperfect devices carried out internationally, then we will present our recent hacking works in details, including passive faraday mirror attack, partially random phase attack, wavelength-selected photon-number-splitting attack, frequency shift attack, and single-photon-detector attack. Those quantum attack reminds people to improve the security existed in practical QKD systems due to imperfect devices by simply adding countermeasure or adopting a totally different protocol such as measurement-device independent protocol to avoid quantum hacking on the imperfection of measurement devices [Lo, et al., Phys. Rev. Lett., 2012, 108: 130503].

  9. Intrinsic hierarchical structural imperfections in a natural ceramic of bivalve shell with distinctly graded properties

    PubMed Central

    Jiao, Da; Liu, Zengqian; Zhang, Zhenjun; Zhang, Zhefeng

    2015-01-01

    Despite the extensive investigation on the structure of natural biological materials, insufficient attention has been paid to the structural imperfections by which the mechanical properties of synthetic materials are dominated. In this study, the structure of bivalve Saxidomus purpuratus shell has been systematically characterized quantitatively on multiple length scales from millimeter to sub-nanometer. It is revealed that hierarchical imperfections are intrinsically involved in the crossed-lamellar structure of the shell despite its periodically packed platelets. In particular, various favorable characters which are always pursued in synthetic materials, e.g. nanotwins and low-angle misorientations, have been incorporated herein. The possible contributions of these imperfections to mechanical properties are further discussed. It is suggested that the imperfections may serve as structural adaptations, rather than detrimental defects in the real sense, to help improve the mechanical properties of natural biological materials. This study may aid in understanding the optimizing strategies of structure and properties designed by nature, and accordingly, provide inspiration for the design of synthetic materials. PMID:26198844

  10. Nonlinear dynamics of initially imperfect functionally graded circular cylindrical shell under complex loads

    NASA Astrophysics Data System (ADS)

    Liu, Y. Z.; Hao, Y. X.; Zhang, W.; Chen, J.; Li, S. B.

    2015-07-01

    The nonlinear vibration of a simply supported FGM cylindrical shell with small initial geometric imperfection under complex loads is studied. The effects of radial harmonic excitation, compressive in-plane force combined with supersonic aerodynamic and thermal loads are considered. The small initial geometric imperfection of the cylindrical shell is characterized in the form of the sine-type trigonometric functions. The effective material properties of this FGM cylindrical shell are graded in the radial direction according to a simple power law in terms of the volume fractions. Based on Reddy's third-order shear deformation theory, von Karman-type nonlinear kinematics and Hamilton's principle, the nonlinear partial differential equation that controls the shell dynamics is derived. Both axial symmetric and driven modes of the cylindrical shell deflection pattern are included. Furthermore, the equations of motion can be reduced into a set of coupled nonlinear ordinary differential equations by applying Galerkin's method. In the study of the nonlinear dynamics responses of small initial geometric imperfect FGM cylindrical shell under complex loads, the 4th order Runge-Kutta method is used to obtain time history, phase portraits, bifurcation diagrams and Poincare maps with different parameters. The effects of external loads, geometric imperfections and volume fractions on the nonlinear dynamics of the system are discussed.

  11. On Crosslinguistic Variations in Imperfective Aspect: The Case of L2 Korean

    ERIC Educational Resources Information Center

    Lee, EunHee; Kim, Hae-Young

    2007-01-01

    This article examines the acquisition of Korean imperfective markers, the progressive "-ko iss-" and the resultative "-a iss-," with a view to understanding how tense/aspect morphology expands beyond prototype associations with inherent aspects of the verbs. We hypothesized that "-a iss-" will develop later than "-ko iss-," but that the…

  12. Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms.

    PubMed

    Leung, V Y F; Pijn, D R M; Schlatter, H; Torralbo-Campo, L; La Rooij, A L; Mulder, G B; Naber, J; Soudijn, M L; Tauschinsky, A; Abarbanel, C; Hadad, B; Golan, E; Folman, R; Spreeuw, R J C

    2014-05-01

    We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold (87)Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

  13. Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms

    SciTech Connect

    Leung, V. Y. F.; Pijn, D. R. M.; Schlatter, H.; Torralbo-Campo, L.; La Rooij, A. L.; Mulder, G. B.; Naber, J.; Soudijn, M. L.; Tauschinsky, A.; Spreeuw, R. J. C.; Abarbanel, C.; Hadad, B.; Golan, E.; Folman, R.

    2014-05-15

    We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold {sup 87}Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

  14. Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms

    NASA Astrophysics Data System (ADS)

    Leung, V. Y. F.; Pijn, D. R. M.; Schlatter, H.; Torralbo-Campo, L.; La Rooij, A. L.; Mulder, G. B.; Naber, J.; Soudijn, M. L.; Tauschinsky, A.; Abarbanel, C.; Hadad, B.; Golan, E.; Folman, R.; Spreeuw, R. J. C.

    2014-05-01

    We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold 87Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

  15. Improving Prediction Skill of Imperfect Turbulent Models Through Statistical Response and Information Theory

    NASA Astrophysics Data System (ADS)

    Majda, Andrew J.; Qi, Di

    2016-02-01

    Turbulent dynamical systems with a large phase space and a high degree of instabilities are ubiquitous in climate science and engineering applications. Statistical uncertainty quantification (UQ) to the response to the change in forcing or uncertain initial data in such complex turbulent systems requires the use of imperfect models due to the lack of both physical understanding and the overwhelming computational demands of Monte Carlo simulation with a large-dimensional phase space. Thus, the systematic development of reduced low-order imperfect statistical models for UQ in turbulent dynamical systems is a grand challenge. This paper applies a recent mathematical strategy for calibrating imperfect models in a training phase and accurately predicting the response by combining information theory and linear statistical response theory in a systematic fashion. A systematic hierarchy of simple statistical imperfect closure schemes for UQ for these problems is designed and tested which are built through new local and global statistical energy conservation principles combined with statistical equilibrium fidelity. The forty mode Lorenz 96 (L-96) model which mimics forced baroclinic turbulence is utilized as a test bed for the calibration and predicting phases for the hierarchy of computationally cheap imperfect closure models both in the full phase space and in a reduced three-dimensional subspace containing the most energetic modes. In all of phase spaces, the nonlinear response of the true model is captured accurately for the mean and variance by the systematic closure model, while alternative methods based on the fluctuation-dissipation theorem alone are much less accurate. For reduced-order model for UQ in the three-dimensional subspace for L-96, the systematic low-order imperfect closure models coupled with the training strategy provide the highest predictive skill over other existing methods for general forced response yet have simple design principles based on a

  16. Structural elucidation and magnetic behavior evaluation of rare earth (La, Nd, Gd, Tb, Dy) doped BaCoNi-X hexagonal nano-sized ferrites

    NASA Astrophysics Data System (ADS)

    Majeed, Abdul; Khan, Muhammad Azhar; Raheem, Faseeh ur; Hussain, Altaf; Iqbal, F.; Murtaza, Ghulam; Akhtar, Majid Niaz; Shakir, Imran; Warsi, Muhammad Farooq

    2016-06-01

    Rare-earth (RE=La3+, Nd3+, Gd3+, Tb3+, Dy3+) doped Ba2NiCoRExFe28-xO46 (x=0.25) hexagonal ferrites were synthesized for the first time via micro-emulsion route, which is a fast chemistry route for obtaining nano-sized ferrite powders. These nanomaterials were investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), as well as vibrating sample magnetometer (VSM). The XRD analysis exhibited that all the samples crystallized into single X-type hexagonal phase. The crystalline size calculated by Scherrer's formula was found in the range 7-19 nm. The variations in lattice parameters elucidated the incorporation of rare-earth cations in these nanomaterials. FTIR absorption spectra of these X-type ferrites were investigated in the wave number range 500-2400 cm-1. Each spectrum exhibited absorption bands in the low wave number range, thereby confirming the X-type hexagonal structure. The enhancement in the coercivity was observed with the doping of rare-earth cations. The saturation magnetization was lowered owing to the redistribution of rare-earth cations on the octahedral site (3bVI). The higher values of coercivity (664-926 Oe) of these nanomaterials suggest their use in longitudinal recording media.

  17. Investigation on the Geometric Imperfections driven Local Buckling Onset in Composite Conical Shells

    NASA Astrophysics Data System (ADS)

    Di Pasqua, Maria Francesca; Khakimova, Regina; Castro, Saullo G. P.; Arbelo, Mariano A.; Riccio, Aniello; Raimondo, Antonio; Degenhardt, Richard

    2016-08-01

    Buckling is a critical failure phenomenon for structures, and represents a threat for thin shells subjected to compressive forces. The global buckling load, for a conical structure, depends on the geometry and material properties of the shell, on the stacking sequence, on the type of applied load and on the initial geometric imperfections. Geometric imperfections, occurring inevitably during manufacturing and assembly of thin-walled composite structures, produce a reduction in the carrying load capability with respect to the design value. This is the reason why investigating these defects is of major concern in order to avoid over-conservative design structures. In this paper, the buckling behavior a conical structure with 45° semi-vertical angle is numerically investigated. The initial imperfections are taken into account by using different strategies. At first, the Single Perturbation Load Approach (SPLA), which accounts for defects in the form of a lateral load, normal to the surface, has been adopted. Then, the actual measured defects have been applied to the structure by using the Real Measured Mid-Surface Imperfections (MSI) approach. Investigations on cylindrical shells using the first strategy have already shown the occurrence of a particular phenomenon called "local snap-through", which represents a preliminary loss of stiffness. In order to better understand this phenomenon for conical shells, both the aforementioned techniques have been used to provide an exhaustive overview of the imperfections sensitiveness in conical composite shells. This study is related to part of the work performed in the frame of the European Union (EU) project DESICOS.

  18. Two Nucleons on a Lattice

    SciTech Connect

    S.R. Beane; P.F.Bedaque; A. Parreno; M.J. Savage

    2004-04-01

    The two-nucleon sector is near an infrared fixed point of QCD and as a result the S-wave scattering lengths are unnaturally large compared to the effective ranges and shape parameters. It is usually assumed that a lattice QCD simulation of the two-nucleon sector will require a lattice that is much larger than the scattering lengths in order to extract quantitative information. In this paper we point out that this does not have to be the case: lattice QCD simulations on much smaller lattices will produce rigorous results for nuclear physics.

  19. Nuclear Physics and Lattice QCD

    SciTech Connect

    Beane, Silas

    2003-11-01

    Impressive progress is currently being made in computing properties and interac- tions of the low-lying hadrons using lattice QCD. However, cost limitations will, for the foreseeable future, necessitate the use of quark masses, Mq, that are signif- icantly larger than those of nature, lattice spacings, a, that are not significantly smaller than the physical scale of interest, and lattice sizes, L, that are not sig- nificantly larger than the physical scale of interest. Extrapolations in the quark masses, lattice spacing and lattice volume are therefore required. The hierarchy of mass scales is: L 1 j Mq j â ºC j a 1 . The appropriate EFT for incorporating the light quark masses, the finite lattice spacing and the lattice size into hadronic observables is C-PT, which provides systematic expansions in the small parame- ters e m L, 1/ Lâ ºC, p/â ºC, Mq/â ºC and aâ ºC . The lattice introduces other unphysical scales as well. Lattice QCD quarks will increasingly be artificially separated

  20. Lattice Dynamics of the Rhenium and Technetium Dichalcogenides.

    PubMed

    Wolverson, Daniel; Hart, Lewis S

    2016-12-01

    The rhenium and technetium dichalcogenides are layered van der Waals semiconductors which show a large number of Raman-active zone-centre phonon modes as a result of their unusually large unit cells and deviation from hexagonal symmetry. They thus offer the possibility of introducing in-plane anisotropy into composite heterostructures based on van der Waals materials, and Raman spectroscopy is generally used to determine their in-plane orientation. We show that first-principles calculations give a good description of the lattice dynamics of this family of materials and thus predict the zone-centre phonon frequencies and Raman activities of TcS2. We consider the distribution of the phonon modes in frequency and their atomic displacements and give a unified understanding of the phonon frequencies and Raman spectra of ReS2, TcS2 and ReSe2 in terms of the scaling of Raman frequency with the chalcogen mass. PMID:27178055

  1. Lattice Dynamics of the Rhenium and Technetium Dichalcogenides.

    PubMed

    Wolverson, Daniel; Hart, Lewis S

    2016-12-01

    The rhenium and technetium dichalcogenides are layered van der Waals semiconductors which show a large number of Raman-active zone-centre phonon modes as a result of their unusually large unit cells and deviation from hexagonal symmetry. They thus offer the possibility of introducing in-plane anisotropy into composite heterostructures based on van der Waals materials, and Raman spectroscopy is generally used to determine their in-plane orientation. We show that first-principles calculations give a good description of the lattice dynamics of this family of materials and thus predict the zone-centre phonon frequencies and Raman activities of TcS2. We consider the distribution of the phonon modes in frequency and their atomic displacements and give a unified understanding of the phonon frequencies and Raman spectra of ReS2, TcS2 and ReSe2 in terms of the scaling of Raman frequency with the chalcogen mass.

  2. Lattice Dynamics of the Rhenium and Technetium Dichalcogenides

    NASA Astrophysics Data System (ADS)

    Wolverson, Daniel; Hart, Lewis S.

    2016-05-01

    The rhenium and technetium dichalcogenides are layered van der Waals semiconductors which show a large number of Raman-active zone-centre phonon modes as a result of their unusually large unit cells and deviation from hexagonal symmetry. They thus offer the possibility of introducing in-plane anisotropy into composite heterostructures based on van der Waals materials, and Raman spectroscopy is generally used to determine their in-plane orientation. We show that first-principles calculations give a good description of the lattice dynamics of this family of materials and thus predict the zone-centre phonon frequencies and Raman activities of TcS2. We consider the distribution of the phonon modes in frequency and their atomic displacements and give a unified understanding of the phonon frequencies and Raman spectra of ReS2, TcS2 and ReSe2 in terms of the scaling of Raman frequency with the chalcogen mass.

  3. Elimination of spurious lattice fermion solutions and noncompact lattice QCD

    SciTech Connect

    Lee, T.D.

    1997-09-22

    It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.

  4. Deterministic Two-Dimensional Polymorphism Growth of Hexagonal n-Type SnS₂ and Orthorhombic p-Type SnS Crystals.

    PubMed

    Ahn, Ji-Hoon; Lee, Myoung-Jae; Heo, Hoseok; Sung, Ji Ho; Kim, Kyungwook; Hwang, Hyein; Jo, Moon-Ho

    2015-06-10

    van der Waals layered materials have large crystal anisotropy and crystallize spontaneously into two-dimensional (2D) morphologies. Two-dimensional materials with hexagonal lattices are emerging 2D confined electronic systems at the limit of one or three atom thickness. Often these 2D lattices also form orthorhombic symmetries, but these materials have not been extensively investigated, mainly due to thermodynamic instability during crystal growth. Here, we show controlled polymorphic growth of 2D tin-sulfide crystals of either hexagonal SnS2 or orthorhombic SnS. Addition of H2 during the growth reaction enables selective determination of either n-type SnS2 or p-type SnS 2D crystal of dissimilar energy band gap of 2.77 eV (SnS2) or 1.26 eV (SnS) as a final product. Based on this synthetic 2D polymorphism of p-n crystals, we also demonstrate p-n heterojunctions for rectifiers and photovoltaic cells, and complementary inverters.

  5. Optical Abelian lattice gauge theories

    SciTech Connect

    Tagliacozzo, L.; Celi, A.; Zamora, A.; Lewenstein, M.

    2013-03-15

    We discuss a general framework for the realization of a family of Abelian lattice gauge theories, i.e., link models or gauge magnets, in optical lattices. We analyze the properties of these models that make them suitable for quantum simulations. Within this class, we study in detail the phases of a U(1)-invariant lattice gauge theory in 2+1 dimensions, originally proposed by P. Orland. By using exact diagonalization, we extract the low-energy states for small lattices, up to 4 Multiplication-Sign 4. We confirm that the model has two phases, with the confined entangled one characterized by strings wrapping around the whole lattice. We explain how to study larger lattices by using either tensor network techniques or digital quantum simulations with Rydberg atoms loaded in optical lattices, where we discuss in detail a protocol for the preparation of the ground-state. We propose two key experimental tests that can be used as smoking gun of the proper implementation of a gauge theory in optical lattices. These tests consist in verifying the absence of spontaneous (gauge) symmetry breaking of the ground-state and the presence of charge confinement. We also comment on the relation between standard compact U(1) lattice gauge theory and the model considered in this paper. - Highlights: Black-Right-Pointing-Pointer We study the quantum simulation of dynamical gauge theories in optical lattices. Black-Right-Pointing-Pointer We focus on digital simulation of abelian lattice gauge theory. Black-Right-Pointing-Pointer We rediscover and discuss the puzzling phase diagram of gauge magnets. Black-Right-Pointing-Pointer We detail the protocol for time evolution and ground-state preparation in any phase. Black-Right-Pointing-Pointer We provide two experimental tests to validate gauge theory quantum simulators.

  6. Hexagon functions and the three-loop remainder function

    NASA Astrophysics Data System (ADS)

    Dixon, Lance J.; Drummond, James M.; von Hippel, Matt; Pennington, Jeffrey

    2013-12-01

    We present the three-loop remainder function, which describes the scattering of six gluons in the maximally-helicity-violating configuration in planar = 4 super-Yang-Mills theory, as a function of the three dual conformal cross ratios. The result can be expressed in terms of multiple Goncharov polylogarithms. We also employ a more restricted class of hexagon functions which have the correct branch cuts and certain other restrictions on their symbols. We classify all the hexagon functions through transcendental weight five, using the coproduct for their Hopf algebra iteratively, which amounts to a set of first-order differential equations. The three-loop remainder function is a particular weight-six hexagon function, whose symbol was determined previously. The differential equations can be integrated numerically for generic values of the cross ratios, or analytically in certain kinematic limits, including the near-collinear and multi-Regge limits. These limits allow us to impose constraints from the operator product expansion and multi-Regge factorization directly at the function level, and thereby to fix uniquely a set of Riemann ζ valued constants that could not be fixed at the level of the symbol. The near-collinear limits agree precisely with recent predictions by Basso, Sever and Vieira based on integrability. The multi-Regge limits agree with the factorization formula of Fadin and Lipatov, and determine three constants entering the impact factor at this order. We plot the three-loop remainder function for various slices of the Euclidean region of positive cross ratios, and compare it to the two-loop one. For large ranges of the cross ratios, the ratio of the three-loop to the two-loop remainder function is relatively constant, and close to -7.

  7. A laboratory model of Saturn’s North Polar Hexagon

    NASA Astrophysics Data System (ADS)

    Barbosa Aguiar, Ana C.; Read, Peter L.; Wordsworth, Robin D.; Salter, Tara; Hiro Yamazaki, Y.

    2010-04-01

    A hexagonal structure has been observed at ˜76°N on Saturn since the 1980s (Godfrey, D.A. [1988]. Icarus 76, 335-356). Recent images by Cassini (Baines, K., Momary, T., Roos-Serote, M., Atreya, S., Brown, R., Buratti, B., Clark, R., Nicholson, P. [2007]. Geophys. Res. Abstr. 9, 02109; Baines, K., Momary, T., Fletcher, L., Kim, J., Showman, A., Atreya, S., Brown, R., Buratti, B., Clark, R., Nicholson, P. [2009]. Geophys. Res. Abstr. 11, 3375) have shown that the feature is still visible and largely unchanged. Its long lifespan and geometry has puzzled the planetary physics community for many years and its origin remains unclear. The measured rotation rate of the hexagon may be very close to that of the interior of the planet ( Godfrey, D.A. [1990]. Science 247, 1206-1208; Caldwell, J., Hua, X., Turgeon, B., Westphal, J.A., Barnet, C.D. [1993]. Science 206, 326-329; Sánchez-Lavega, A., Lecacheux, J., Colas, F., Laques, P. [1993]. Science 260, 329-332), leading to earlier interpretations of the pattern as a stationary planetary wave, continuously forced by a nearby vortex (Allison, M., Godfrey, D.A., Beebe, R.F. [1990]. Science 247, 1061-1063). Here we present an alternative explanation, based on an analysis of both spacecraft observations of Saturn and observations from laboratory experiments where the instability of quasi-geostrophic barotropic (vertically uniform) jets and shear layers is studied. We also present results from a barotropic linear instability analysis of the saturnian zonal wind profile, which are consistent with the presence of the hexagon in the North Pole and absence of its counter-part in the South Pole. We propose that Saturn's long-lived polygonal structures correspond to wavemodes caused by the nonlinear equilibration of barotropically unstable zonal jets.

  8. Optical Design of Segmented Hexagon Array Solar Mirror

    NASA Technical Reports Server (NTRS)

    Huegele, Vince

    2000-01-01

    A segmented array of mirrors was designed for a solar concentrator test stand at MSFC for firing solar thermal propulsion engines. The 144 mirrors each have a spherical surface to approximate a parabolic concentrator when combined into the entire 18-foot diameter array. The mirror segments are aluminum hexagons that had the surface diamond turned and quartz coated. The array focuses sunlight reflected from a heliostat to a 4 inch diameter spot containing 10 kw of power at the 15-foot focal point. The derivation of the surface figure for the respective mirror elements is shown. The alignment process of the array is discussed and test results of the system's performance is given.

  9. Inter-layer potential for hexagonal boron nitride.

    PubMed

    Leven, Itai; Azuri, Ido; Kronik, Leeor; Hod, Oded

    2014-03-14

    A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture well the binding and lateral sliding energies of planar h-BN based dimer systems as well as the interlayer telescoping and rotation of double walled boron-nitride nanotubes of different crystallographic orientations. The new potential thus allows for the accurate and efficient modeling and simulation of large-scale h-BN based layered structures.

  10. Backscattering peak of hexagonal ice columns and plates.

    PubMed

    Borovoi, A; Grishin, I; Naats, E; Oppel, U

    2000-09-15

    The backward cross section of hexagonal ice crystals of arbitrary orientation is calculated for visible light by means of a ray-tracing code. It is shown that backscattering of the tilted crystals is caused by a corner-reflector-like effect. A very large peak of backscattering is found for a tilt of 32.5 degrees between the principal particle axis and the incidence direction. This peak is caused by multiple total internal reflections for part of the rays that are incident upon the skewed rectangular faces. Slant lidar measurements for remote sensing of cirrus clouds are proposed.

  11. Molecular dynamics of halogenated graphene - hexagonal boron nitride nanoribbons

    NASA Astrophysics Data System (ADS)

    Nemnes, G. A.; Visan, Camelia; Anghel, D. V.; Manolescu, A.

    2016-08-01

    The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using ab initio density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a few interatomic distances wide. Several structures are analyzed, namely pristine graphene, hBN and G-hBN systems. By passivating the nanoribbon edges with hydrogen and different halogen atoms, one may tune the electronic and mechanical properties, like the band gap energies and the natural frequencies of vibration.

  12. Temperature dependent cubic and hexagonal close packing in micellar structures.

    PubMed

    Wolff, Nicole; Gerth, Stefan; Gutfreund, Philipp; Wolff, Max

    2014-11-14

    The interfacial structure and phase diagram of a micellar solution formed by the three block copolymer (EO20-PO70-EO20) also known as P123 solved in deuterated water close to a solid boundary is investigated with respect to temperature. We find a hysteretic behavior of the d-spacing of the micellar crystal and a spontaneous change in the lateral correlation length going hand in hand with a structural reorganization between cubic and hexagonal. The phase transitions may be initiated by a change in the shape of the micelles from spherical to elongated together with a minimization of the polymer water interface. PMID:25212786

  13. Inter-layer potential for hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Leven, Itai; Azuri, Ido; Kronik, Leeor; Hod, Oded

    2014-03-01

    A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture well the binding and lateral sliding energies of planar h-BN based dimer systems as well as the interlayer telescoping and rotation of double walled boron-nitride nanotubes of different crystallographic orientations. The new potential thus allows for the accurate and efficient modeling and simulation of large-scale h-BN based layered structures.

  14. Superior thermal conductivity in suspended bilayer hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Wang, Chengru; Guo, Jie; Dong, Lan; Aiyiti, Adili; Xu, Xiangfan; Li, Baowen

    2016-05-01

    We reported the basal-plane thermal conductivity in exfoliated bilayer hexagonal boron nitride h-BN that was measured using suspended prepatterned microstructures. The h-BN sample suitable for thermal measurements was fabricated by dry-transfer method, whose sample quality, due to less polymer residues on surfaces, is believed to be superior to that of PMMA-mediated samples. The measured room temperature thermal conductivity is around 484 Wm‑1K‑1(+141 Wm‑1K‑1/ ‑24 Wm‑1K‑1) which exceeds that in bulk h-BN, providing experimental observation of the thickness-dependent thermal conductivity in suspended few-layer h-BN.

  15. Structural performance of two aerobrake hexagonal heat shield panel concepts

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Dyess, James W.

    1992-01-01

    Structural sizing and performance are presented for two structural concepts for an aerobrake hexagonal heat shield panel. One concept features a sandwich construction with an aluminum honeycomb core and thin quasi-isotropic graphite-epoxy face sheets. The other concept features a skin-rib isogrid construction with thin quasi-isotropic graphite-epoxy skins and graphite-epoxy ribs oriented at 0, +60, and -60 degs along the panel. Linear static, linear bifurcation buckling, and nonlinear static analyses were performed to compare the structural performance of the two panel concepts and assess their feasibility for a lunar transfer vehicle aerobrake application.

  16. Field emission characteristics from graphene on hexagonal boron nitride

    SciTech Connect

    Yamada, Takatoshi; Masuzawa, Tomoaki; Ebisudani, Taishi; Okano, Ken; Taniguchi, Takashi

    2014-06-02

    An attempt has been made to utilize uniquely high electron mobility of graphene on hexagonal boron nitride (h-BN) to electron emitter. The field emission property of graphene/h-BN/Si structure has shown enhanced threshold voltage and emission current, both of which are key to develop novel vacuum nanoelectronics devices. The field emission property was discussed along with the electronic structure of graphene investigated by Fowler-Nordheim plot and ultraviolet photoelectron spectroscopy. The result suggested that transferring graphene on h-BN modified its work function, which changed field emission mechanism. Our report opens up a possibility of graphene-based vacuum nanoelectronics devices with tuned work function.

  17. Stable three-dimensional metallic carbon with interlocking hexagons

    PubMed Central

    Zhang, Shunhong; Wang, Qian; Chen, Xiaoshuang; Jena, Puru

    2013-01-01

    Design and synthesis of 3D metallic carbon that is stable under ambient conditions has been a long-standing dream. We predict the existence of such phases, T6- and T14-carbon, consisting of interlocking hexagons. Their dynamic, mechanical, and thermal stabilities are confirmed by carrying out a variety of state-of-the-art theoretical calculations. Unlike the previously studied K4 and the simple cubic high pressure metallic phases, the structures predicted in this work are stable under ambient conditions. Equally important, they may be synthesized chemically by using benzene or polyacenes molecules. PMID:24191020

  18. How big should hexagonal ice crystals be to produce halos?

    PubMed

    Mishchenko, M I; Macke, A

    1999-03-20

    It has been hypothesized that the frequent lack of halos in observations of cirrus and contrails and laboratory measurements is caused by small ice crystal sizes that put the particles outside the geometrical optics domain of size parameters. We test this hypothesis by exploiting a strong similarity of ray tracing phase functions for finite hexagonal and circular ice cylinders and using T-matrix computations of electromagnetic scattering by circular cylinders with size parameters up to 180 in the visible. We conclude that well-defined halos should be observable for ice crystal size parameters of the order of 100 and larger and discuss remote-sensing implications of this result. PMID:18305781

  19. Carbon nanotube quantum dots on hexagonal boron nitride

    SciTech Connect

    Baumgartner, A. Abulizi, G.; Gramich, J.; Schönenberger, C.; Watanabe, K.; Taniguchi, T.

    2014-07-14

    We report the fabrication details and low-temperature characteristics of carbon nanotube (CNT) quantum dots on flakes of hexagonal boron nitride (hBN) as substrate. We demonstrate that CNTs can be grown on hBN by standard chemical vapor deposition and that standard scanning electron microscopy imaging and lithography can be employed to fabricate nanoelectronic structures when using optimized parameters. This proof of concept paves the way to more complex devices on hBN, with more predictable and reproducible characteristics and electronic stability.

  20. Excitonic surface lattice resonances

    NASA Astrophysics Data System (ADS)

    Humphrey, A. D.; Gentile, M. J.; Barnes, W. L.

    2016-08-01

    Electromagnetic resonances are important in controlling light at the nanoscale. The most studied such resonance is the surface plasmon resonance that is associated with metallic nanostructures. Here we explore an alternative resonance, the surface exciton-polariton resonance, one based on excitonic molecular materials. Our study is based on analytical and numerical modelling. We show that periodic arrays of suitable molecular nanoparticles may support surface lattice resonances that arise as a result of coherent interactions between the particles. Our results demonstrate that excitonic molecular materials are an interesting alternative to metals for nanophotonics; they offer the prospect of both fabrication based on supramolecular chemistry and optical functionality arising from the way the properties of such materials may be controlled with light.

  1. Buckling modes in pantographic lattices

    NASA Astrophysics Data System (ADS)

    Giorgio, Ivan; Della Corte, Alessandro; dell'Isola, Francesco; Steigmann, David J.

    2016-07-01

    We study buckling patterns in pantographic sheets, regarded as two-dimensional continua consisting of lattices of continuously distributed fibers. The fibers are modeled as beams endowed with elastic resistance to stretching, shearing, bending and twist. Included in the theory is a non-standard elasticity due to geodesic bending of the fibers relative to the lattice surface. xml:lang="fr"

  2. Non-random cation distribution in hexagonal Al{sub 0.5}Ga{sub 0.5}PO{sub 4}

    SciTech Connect

    Kulshreshtha, S.K.; Jayakumar, O.D.; Sudarsan, V.

    2010-05-15

    Based on powder X-ray diffraction and {sup 31}P Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) investigations of mixed phosphate Al{sub 0.5}Ga{sub 0.5}PO{sub 4}, prepared by co-precipitation method followed by annealing at 900 deg. C for 24 h, it is shown that Al{sub 0.5}Ga{sub 0.5}PO{sub 4} phase crystallizes in hexagonal form with lattice parameter a=0.491(2) and c=1.106(4) nm. This hexagonal phase of Al{sub 0.5}Ga{sub 0.5}PO{sub 4} is similar to that of pure GaPO{sub 4}. The {sup 31}P MAS NMR spectrum of the mixed phosphate sample consists of five peaks with systematic variation of their chemical shift values and is arising due to existence of P structural units having varying number of the Al{sup 3+}/Ga{sup 3+} cations as the next nearest neighbors in the solid solution. Based on the intensity analysis of the component NMR spectra of Al{sub 0.5}Ga{sub 0.5}PO{sub 4}, it is inferred that the distribution of Al{sup 3+} and Ga{sup 3+} cations is non-random for the hexagonal Al{sub 0.5}Ga{sub 0.5}PO{sub 4} sample although XRD patterns showed a well-defined solid solution formation. - Graphical abstract: {sup 31}P MAS NMR pattern of hexagonal Al{sub 0.5}Ga{sub 0.5}PO{sub 4} solid solution.

  3. Thermally induced fluid reversed hexagonal (H(II)) mesophase.

    PubMed

    Amar-Yuli, Idit; Wachtel, Ellen; Shalev, Deborah E; Moshe, Hagai; Aserin, Abraham; Garti, Nissim

    2007-12-01

    In the present study we characterized the microstructures of the Lc and HII phases in a glycerol monooleate (GMO)/tricaprylin (TAG)/water mixture as a function of temperature. We studied the factors that govern the formation of a low-viscosity HII phase at relatively elevated temperatures (>35 degrees C). This phase has very valuable physical characteristics and properties. The techniques used were differential scanning calorimetry (DSC), wide- and small-angle X-ray scattering (WAXS and SAXS, respectively), NMR (self-diffusion and (2)H NMR), and Fourier transform infrared (FTIR) spectroscopies. The reverse hexagonal phase exhibited relatively rapid flow of water in the inner channels within the densely packed cylindrical aggregates of GMO with TAG molecules located in the interstices. The existence of two water diffusion peaks reflects the existence of both mobile water and hydration water at the GMO-water interface (hydrogen exchange between the GMO hydroxyls and water molecules). Above 35 degrees C, the sample became fluid yet hexagonal symmetry was maintained. The fluidity of the HII phase is explained by a significant reduction in the domain size and also perhaps cylinder length. This phenomenon was characterized by higher mobility of the GMO, lower mobility of the water, and a significant dehydration process.

  4. Faint Luminescent Ring over Saturn’s Polar Hexagon

    NASA Astrophysics Data System (ADS)

    Adriani, Alberto; Moriconi, Maria Luisa; D’Aversa, Emiliano; Oliva, Fabrizio; Filacchione, Gianrico

    2015-07-01

    Springtime insolation is presently advancing across Saturn's north polar region. Early solar radiation scattered through the gaseous giant's atmosphere gives a unique opportunity to sound the atmospheric structure at its upper troposphere/lower stratosphere at high latitudes. Here, we report the detection of a tenuous bright structure in Saturn's northern polar cap corresponding to the hexagon equatorward boundary, observed by Cassini Visual and Infrared Mapping Spectrometer on 2013 June. The structure is spectrally characterized by an anomalously enhanced intensity in the 3610–3730 nm wavelength range and near 2500 nm, pertaining to relatively low opacity windows between strong methane absorption bands. Our first results suggest that a strong forward scattering by tropospheric clouds, higher in respect to the surrounding cloud deck, can be responsible for the enhanced intensity of the feature. This can be consistent with the atmospheric dynamics associated with the jet stream embedded in the polar hexagon. Further investigations at higher spectral resolution are needed to better assess the vertical distribution and microphysics of the clouds in this interesting region.

  5. Asymptotic Analysis of Fiber-Reinforced Composites of Hexagonal Structure

    NASA Astrophysics Data System (ADS)

    Kalamkarov, Alexander L.; Andrianov, Igor V.; Pacheco, Pedro M. C. L.; Savi, Marcelo A.; Starushenko, Galina A.

    2016-08-01

    The fiber-reinforced composite materials with periodic cylindrical inclusions of a circular cross-section arranged in a hexagonal array are analyzed. The governing analytical relations of the thermal conductivity problem for such composites are obtained using the asymptotic homogenization method. The lubrication theory is applied for the asymptotic solution of the unit cell problems in the cases of inclusions of large and close to limit diameters, and for inclusions with high conductivity. The lubrication method is further generalized to the cases of finite values of the physical properties of inclusions, as well as for the cases of medium-sized inclusions. The analytical formulas for the effective coefficient of thermal conductivity of the fiber-reinforced composite materials of a hexagonal structure are derived in the cases of small conductivity of inclusions, as well as in the cases of extremely low conductivity of inclusions. The three-phase composite model (TPhM) is applied for solving the unit cell problems in the cases of the inclusions with small diameters, and the asymptotic analysis of the obtained solutions is performed for inclusions of small sizes. The obtained results are analyzed and illustrated graphically, and the limits of their applicability are evaluated. They are compared with the known numerical and asymptotic data in some particular cases, and very good agreement is demonstrated.

  6. Band gap effects of hexagonal boron nitride using oxygen plasma

    SciTech Connect

    Sevak Singh, Ram; Leong Chow, Wai; Yingjie Tay, Roland; Hon Tsang, Siu; Mallick, Govind; Tong Teo, Edwin Hang

    2014-04-21

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing.

  7. The development of morphology and structure in hexagonal vaterite.

    PubMed

    Pouget, Emilie M; Bomans, Paul H H; Dey, Archan; Frederik, Peter M; de With, Gijsbertus; Sommerdijk, Nico A J M

    2010-08-25

    Inspired by the remarkable shapes and properties of CaCO(3) biominerals, many studies have investigated biomimetic routes aiming at synthetic equivalents with similar morphological and structural complexity. Control over the morphology of CaCO(3) crystals has been demonstrated, among other methods, by the use of additives that selectively allow the development of specific crystal faces, while inhibiting others. Both for biogenic and biomimetic CaCO(3), the crystalline state is often preceded by an amorphous precursor phase, but still limited information is available on the details of the amorphous-to-crystalline transition. By using a combination of cryoTEM techniques (bright field imaging, cryo-tomography, low dose electron diffraction and cryo-darkfield imaging), we show for the first time the details of this transition during the formation of hexagonal vaterite crystals grown in the presence of NH(4)(+) ions. The formation of hexagonal plate-like vaterite occurs via an amorphous precursor phase. This amorphous phase converts into the crystalline state through a solid state transformation in which order and morphology develop simultaneously. The mineral initially develops as polycrystalline vaterite which transforms into a single crystal directed by an NH(4)(+)-induced crystal plane that acts as a templating surface.

  8. Vertical transport in graphene-hexagonal boron nitride heterostructure devices

    PubMed Central

    Bruzzone, Samantha; Logoteta, Demetrio; Fiori, Gianluca; Iannaccone, Giuseppe

    2015-01-01

    Research in graphene-based electronics is recently focusing on devices based on vertical heterostructures of two-dimensional materials. Here we use density functional theory and multiscale simulations to investigate the tunneling properties of single- and double-barrier structures with graphene and few-layer hexagonal boron nitride (h-BN) or hexagonal boron carbon nitride (h-BC2N). We find that tunneling through a single barrier exhibit a weak dependence on energy. We also show that in double barriers separated by a graphene layer we do not observe resonant tunneling, but a significant increase of the tunneling probability with respect to a single barrier of thickness equal to the sum of the two barriers. This is due to the fact that the graphene layer acts as an effective phase randomizer, suppressing resonant tunneling and effectively letting a double-barrier structure behave as two single-barriers in series. Finally, we use multiscale simulations to reproduce a current-voltage characteristics resembling that of a resonant tunneling diode, that has been experimentally observed in single barrier structure. The peak current is obtained when there is perfect matching between the densities of states of the cathode and anode graphene regions. PMID:26415656

  9. Magnetic Phase-Transition Studies of Novel Hexagonal Ferrites

    NASA Astrophysics Data System (ADS)

    Holden, Marjorie Letitia; Ravi, Natarajan

    2002-03-01

    Ferrites, a unique class of compounds, have been widely used in a variety of technological applications due to interesting electrical and magnetic properties. A study of the magnetic properties of spinel ferrites with general formula AB_2O4 and perovskites with general formula ABO3 (where A and B represent different cations) has been initiated in our laboratory. The orthorhombic space group and the unit cell dimensions for CaFe_2O4 as determined by the X-ray diffraction data indicate the purity of the compound. In addition, room temperature ^57Fe Mössbauer spectroscopic measurements show a quadrupole doublet in agreement with the literature. A phase transition study of the hexagonal antiferromagnetic compounds such as CaBaFe_(1-x)4Al_xO8 is planned. Preparation, characterization by X-ray, and Mössbauer spectroscopy of these hexagonal ferrites are currently underway. For the Al^3+ substituted systems, distribution of internal magnetic field at the nucleus is modeled by using a binomial distribution. The preparation procedure (both ceramic and wet methods), detailed analysis of the spectroscopic data, and modeling aspects will be presented.

  10. Vertical transport in graphene-hexagonal boron nitride heterostructure devices

    NASA Astrophysics Data System (ADS)

    Bruzzone, Samantha; Logoteta, Demetrio; Fiori, Gianluca; Iannaccone, Giuseppe

    2015-09-01

    Research in graphene-based electronics is recently focusing on devices based on vertical heterostructures of two-dimensional materials. Here we use density functional theory and multiscale simulations to investigate the tunneling properties of single- and double-barrier structures with graphene and few-layer hexagonal boron nitride (h-BN) or hexagonal boron carbon nitride (h-BC2N). We find that tunneling through a single barrier exhibit a weak dependence on energy. We also show that in double barriers separated by a graphene layer we do not observe resonant tunneling, but a significant increase of the tunneling probability with respect to a single barrier of thickness equal to the sum of the two barriers. This is due to the fact that the graphene layer acts as an effective phase randomizer, suppressing resonant tunneling and effectively letting a double-barrier structure behave as two single-barriers in series. Finally, we use multiscale simulations to reproduce a current-voltage characteristics resembling that of a resonant tunneling diode, that has been experimentally observed in single barrier structure. The peak current is obtained when there is perfect matching between the densities of states of the cathode and anode graphene regions.

  11. Vertical transport in graphene-hexagonal boron nitride heterostructure devices.

    PubMed

    Bruzzone, Samantha; Logoteta, Demetrio; Fiori, Gianluca; Iannaccone, Giuseppe

    2015-01-01

    Research in graphene-based electronics is recently focusing on devices based on vertical heterostructures of two-dimensional materials. Here we use density functional theory and multiscale simulations to investigate the tunneling properties of single- and double-barrier structures with graphene and few-layer hexagonal boron nitride (h-BN) or hexagonal boron carbon nitride (h-BC2N). We find that tunneling through a single barrier exhibit a weak dependence on energy. We also show that in double barriers separated by a graphene layer we do not observe resonant tunneling, but a significant increase of the tunneling probability with respect to a single barrier of thickness equal to the sum of the two barriers. This is due to the fact that the graphene layer acts as an effective phase randomizer, suppressing resonant tunneling and effectively letting a double-barrier structure behave as two single-barriers in series. Finally, we use multiscale simulations to reproduce a current-voltage characteristics resembling that of a resonant tunneling diode, that has been experimentally observed in single barrier structure. The peak current is obtained when there is perfect matching between the densities of states of the cathode and anode graphene regions. PMID:26415656

  12. Periodic mesoporous organosilica with a hexagonally pillared lamellar structure.

    PubMed

    Lee, Hyung Ik; Kim, Ji Man; Stucky, Galen D

    2009-10-14

    Ordered mesoporous materials (OMMs) with well-defined pore sizes (>2 nm) and pore geometries are important in various applications that require fast mass transfer or deal with large molecules. Extensive research has resulted in the discovery of OMMs with three types of mesostructures: (i) bi- or multicontinuous, (ii) columnar, and (iii) discontinuous (cagelike). However, another type, the pillared lamellar structure, which has long been sought and has been mathematically computed and known to exist in the research fields of surfactant and multiblock-copolymer mesophases, still remains a mesostructure that has not been observed in real OMMs for any specific symmetry. Herein, we report an unprecedented type of ordered mesoporous material with a hexagonally pillared lamellar (HPL) structure (P6(3)/mmc) that can be synthesized via a phase transformation from a lamellar mesophase by hydrothermal reaction in the presence of an organosilica precursor and a high concentration of a designed Gemini surfactant (Gem(16-3-16)) that has a large g value. The present GMO-HPL, which has an unique three-dimensional periodic structure with two-dimensionally connected pore channels running between the framework layers, provides a fascinating topological link between the lamellar and columnar (2D hexagonal) mesophases. It is unique in its application potential by making possible selective 2D diffusion in different directions.

  13. Microbranching in mode-I fracture in a randomly perturbed lattice

    NASA Astrophysics Data System (ADS)

    Heizler, Shay I.; Kessler, David A.; Elbaz, Yonatan S.

    2013-08-01

    We study mode-I fracture in lattices using atomistic simulations with randomly distributed bond lengths. By using a small parameter that measures the variation of the bond length between the atoms in perfect lattices and using a three-body force law, simulations reproduce the qualitative behavior of the beyond-steady-state cracks in the high-velocity regime, including reasonable microbranching. In particular, the effect of the lattice structure on the crack appears minimal, even though in terms of the physical properties such as the structure factor g(r) and the radial or angular distributions, these lattices share the physical properties of perfect lattices rather than those of an amorphous material (e.g., the continuous random network model). A clear transition can be seen between steady-state cracks, where a single crack propagates in the midline of the sample, and the regime of unstable cracks, where microbranches start to appear near the main crack, in line with previous experimental results. This is seen in both a honeycomb lattice and a fully hexagonal lattice. This model reproduces the main physical features of propagating cracks in brittle materials, including the total length of microbranches as a function of driving displacement and the increasing amplitude of oscillations of the electrical resistance. In addition, preliminary indications of power-law behavior of the microbranch shapes can be seen, potentially reproducing one of the most intriguing experimental results of brittle fracture. There was found to exist a critical degree of disorder, i.e., a sharp threshold between the cleaving behavior characterizing perfect lattices and the microbranching behavior that characterizes amorphous materials.

  14. Nonlinear dust-lattice waves: a modified Toda lattice

    SciTech Connect

    Cramer, N. F.

    2008-09-07

    Charged dust grains in a plasma interact with a Coulomb potential, but also with an exponential component to the potential, due to Debye shielding in the background plasma. Here we investigate large-amplitude oscillations and waves in dust-lattices, employing techniques used in Toda lattice analysis. The lattice consists of a linear chain of particles, or a periodic ring as occurs in experimentally observed dust particle clusters. The particle motion has a triangular waveform, and chaotic motion for large amplitude motion of a grain.

  15. Surface oxide effect on optical sensing and photoelectric conversion of α-In2Se3 hexagonal microplates.

    PubMed

    Ho, Ching-Hwa; Lin, Chien-Hao; Wang, Yi-Ping; Chen, Ying-Cen; Chen, Shin-Hong; Huang, Ying-Sheng

    2013-03-01

    The surface formation oxide assists of visible to ultraviolet photoelectric conversion in α-In2Se3 hexagonal microplates has been explored. Hexagonal α-In2Se3 microplates with the sizes of 10s to 100s of micrometers were synthesized and prepared by the chemical vapor transport method using ICl3 as a transport agent. Many vacancies and surface imperfection states have been found in the bulk and on the surface of the microplate because of the intrinsic defect nature of α-In2Se3. To discover physical and chemical properties and finding technological uses of α-In2Se3, several experiments including transmission electron miscopy (TEM), X-ray photoelectron spectroscopy (XPS), surface photovoltage (SPV), photoluminescence (PL), surface photoresponse (SPR), photoconductivity (PC), and thermoreflectance (TR) measurements have been carried out. Experimental results of TEM, XPS, SPV, PL, and SPR measurements show that a surface oxidation layer α-In2Se3-3xO3x (0 ≤ x ≤ 1) has formed on the crystal face of α-In2Se3 in environmental air with the inner layer content close to In2Se3 but the outermost layer content approaching In2O3. The near band edge transitions of α-In2Se3 microplates have been probed experimentally by TR and PC measurements. The direct band gap of α-In2Se3 has been determined to be 1.453 eV. The SPV result shows a maximum quantum efficiency of the surface oxide α-In2Se3-3xO3x (0 ≤ x ≤ 1) that presents a peak photoresponse near 2.18 eV. The analyses of SPV, SPR, PL, TR, and PC measurements revealed that the surface oxide layer facilitates the conversion of the ultraviolet to the visible range while the native defects (Se and In vacancies) sustain photoconductivity in the near-infrared region. On the basis of the experimental results a wide-energy-range photodetector that combines PC- and SPR-mode operations for α-In2Se3 microplate has been made. The testing results show a well-behaved function of photoelectric conversion in the near-infrared to

  16. Anisotropic Hexagonal Boron Nitride Nanomaterials - Synthesis and Applications

    SciTech Connect

    Han,W.Q.

    2008-08-01

    Boron nitride (BN) is a synthetic binary compound located between III and V group elements in the Periodic Table. However, its properties, in terms of polymorphism and mechanical characteristics, are rather close to those of carbon compared with other III-V compounds, such as gallium nitride. BN crystallizes into a layered or a tetrahedrally linked structure, like those of graphite and diamond, respectively, depending on the conditions of its preparation, especially the pressure applied. Such correspondence between BN and carbon readily can be understood from their isoelectronic structures [1, 2]. On the other hand, in contrast to graphite, layered BN is transparent and is an insulator. This material has attracted great interest because, similar to carbon, it exists in various polymorphic forms exhibiting very different properties; however, these forms do not correspond strictly to those of carbon. Crystallographically, BN is classified into four polymorphic forms: Hexagonal BN (h-BN) (Figure 1(b)); rhombohedral BN (r-BN); cubic BN (c-BN); and wurtzite BN (w-BN). BN does not occur in nature. In 1842, Balmain [3] obtained BN as a reaction product between molten boric oxide and potassium cyanide under atmospheric pressure. Thereafter, many methods for its synthesis were reported. h-BN and r-BN are formed under ambient pressure. c-BN is synthesized from h-BN under high pressure at high temperature while w-BN is prepared from h-BN under high pressure at room temperature [1]. Each BN layer consists of stacks of hexagonal plate-like units of boron and nitrogen atoms linked by SP{sup 2} hybridized orbits and held together mainly by Van der Waals force (Fig 1(b)). The hexagonal polymorph has two-layered repeating units: AA'AA'... that differ from those in graphite: ABAB... (Figure 1(a)). Within the layers of h-BN there is coincidence between the same phases of the hexagons, although the boron atoms and nitrogen atoms are alternatively located along the c-axis. The

  17. Saturnian north polar region: a triangle inside the hexagon?

    NASA Astrophysics Data System (ADS)

    Kochemasov, Gennady G.

    2010-05-01

    The famous and "mysterious" stable hexagon structure around the North Pole of Saturn was earlier interpreted as projections of faces of a structural tetrahedron [1]. This "hidden" simplest Plato's polyhedron is a result of an interference of four fundamental (wave 1) warping waves having in any rotating celestial body four directions: orthogonal and diagonal. Origin of the warping waves in any celestial body is due to their movements in elliptical keplerian orbits with periodically changing accelerations. The structural tetrahedron is an intrinsic geometric feature marking the celestial bodies ubiquitous tectonic dichotomy as in a tetrahedron always there is an opposition of a face (expansion) and a vertex (contraction). In the saturnian case the tetrahedron shows a face at the north and a vertex at the south. Morphologically this is manifested by the hexagon and opposing it in the south a vertex. Blue and pink hues of the northern and southern hemispheres also underline the tectonic dichotomy. These geometric expressions are enforced by a subtle dark equilateral triangle appearing in the image PIA11682 also around the north pole and inside the hexagon (the triangle side is about 15000 km long). One angle of the triangle is clearly visible, another one just shows itself and the third one is barely distinguished. The sides of the triangle are not strait lines but slightly broken amidst lines what makes the triangle appear a bit hexagonal (spherical) and the angle is a bit bigger than 60 degrees of a classical equilateral triangle (~70 degrees). The central part of the triangle is not imaged (a black hole in the PIA11682). This image also confirms that the wide northern polar region is also densely "peppered" with bright cloudy more or less isometric spots on average 400 to 800 km across as in other latitudinal belts of Saturn [2, 3, 4]. Earlier they were observed in IR wavelengths, now they show themselves in visible wavelengths. Their origin and size were

  18. Propagation of shear horizontal surface waves in a layered piezoelectric half-space with an imperfect interface.

    PubMed

    Liu, Jinxi; Wang, Yanhong; Wang, Baolin

    2010-08-01

    We investigate the dispersive behavior of shear horizontal (SH) surface waves propagating in a layered structure consisting of a piezoelectric layer and an elastic half-space, in which the top and bottom of the layer are electrically shorted. The interface between the layer and the half-space is assumed to be imperfect bonding. The degree of imperfection of the interface is described by the so-called shear-lag model. The dispersion equations are expressed in an explicit closed form. The phase velocities are calculated to show the influences of the interfacial imperfection and the material properties of piezoelectric layers on the dispersive characteristics. PMID:20679017

  19. A (15)N CPMG relaxation dispersion experiment more resistant to resonance offset and pulse imperfection.

    PubMed

    Jiang, Bin; Yu, Binhan; Zhang, Xu; Liu, Maili; Yang, Daiwen

    2015-08-01

    Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion is a powerful NMR method to study protein dynamics on the microsecond-millisecond time scale. J-coupling, resonance offset, radio frequency field inhomogeneity, and pulse imperfection often introduce systematic errors into the measured transverse relaxation rates. Here we proposed a modified continuous wave decoupling CPMG experiment, which is more unaffected by resonance offset and pulse imperfection. We found that it is unnecessary to match the decoupling field strength with the delay between CPMG refocusing pulses, provided that decoupling field is strong enough. The performance of the scheme proposed here was shown by simulations and further demonstrated experimentally on a fatty acid binding protein. PMID:26037134

  20. Imperfection and radiation damage in protein crystals studied with coherent radiation

    PubMed Central

    Nave, Colin; Sutton, Geoff; Evans, Gwyndaf; Owen, Robin; Rau, Christoph; Robinson, Ian; Stuart, David Ian

    2016-01-01

    Fringes and speckles occur within diffraction spots when a crystal is illuminated with coherent radiation during X-ray diffraction. The additional information in these features provides insight into the imperfections in the crystal at the sub-micrometre scale. In addition, these features can provide more accurate intensity measurements (e.g. by model-based profile fitting), detwinning (by distinguishing the various components), phasing (by exploiting sampling of the molecular transform) and refinement (by distinguishing regions with different unit-cell parameters). In order to exploit these potential benefits, the features due to coherent diffraction have to be recorded and any change due to radiation damage properly modelled. Initial results from recording coherent diffraction at cryotemperatures from polyhedrin crystals of approximately 2 µm in size are described. These measurements allowed information about the type of crystal imperfections to be obtained at the sub-micrometre level, together with the changes due to radiation damage. PMID:26698068

  1. EPQ model with learning consideration, imperfect production and partial backlogging in fuzzy random environment

    NASA Astrophysics Data System (ADS)

    Shankar Kumar, Ravi; Goswami, A.

    2015-06-01

    The article scrutinises the learning effect of the unit production time on optimal lot size for the uncertain and imprecise imperfect production process, wherein shortages are permissible and partially backlogged. Contextually, we contemplate the fuzzy chance of production process shifting from an 'in-control' state to an 'out-of-control' state and re-work facility of imperfect quality of produced items. The elapsed time until the process shifts is considered as a fuzzy random variable, and consequently, fuzzy random total cost per unit time is derived. Fuzzy expectation and signed distance method are used to transform the fuzzy random cost function into an equivalent crisp function. The results are illustrated with the help of numerical example. Finally, sensitivity analysis of the optimal solution with respect to major parameters is carried out.

  2. Phase transitions in hexagonal, graphene-like lattice sheets and nanotubes under the influence of external conditions

    NASA Astrophysics Data System (ADS)

    Ebert, D.; Klimenko, K. G.; Kolmakov, P. B.; Zhukovsky, V. Ch.

    2016-08-01

    In this paper we consider a class of (2+1)D schematic models with four-fermion interactions that are effectively used in studying condensed-matter systems with planar crystal structure, and especially graphene. Symmetry breaking in these models occurs due to a possible appearance of condensates. Special attention is paid to the symmetry properties of the appearing condensates in the framework of discrete chiral and C, P and T transformations. Moreover, boundary conditions corresponding to carbon nanotubes are considered and their relations with the effect of an applied external magnetic field are studied. To this end we calculated the effective potential for the nanotube model including effects of finite temperature, density and an external magnetic field. As an illustration we made numerical calculations of the chiral symmetry properties in a simpler Gross-Neveu model with only one condensate taken into account. We also investigated the phase structure of the nanotube model under the influence of the Aharonov-Bohm effect and demonstrated that there is a nontrivial relation between the magnitude of the Aharonov-Bohm phase, compactification of the spatial dimension and thermal restoration of the originally broken chiral symmetry.

  3. Nonlinear vibrations and imperfection sensitivity of a cylindrical shell containing axial fluid flow

    NASA Astrophysics Data System (ADS)

    del Prado, Z.; Gonçalves, P. B.; Païdoussis, M. P.

    2009-10-01

    The high imperfection sensitivity of cylindrical shells under static compressive axial loads is a well-known phenomenon in structural stability. On the other hand, less is known of the influence of imperfections on the nonlinear vibrations of these shells under harmonic axial loads. The aim of this work is to study the simultaneous influence of geometric imperfections and an axial fluid flow on the nonlinear vibrations and instabilities of simply supported circular cylindrical shells under axial load. The fluid is assumed to be non-viscous and incompressible and the flow to be isentropic and irrotational. The behavior of the thin-walled shell is modeled by Donnell's nonlinear shallow-shell equations. It is subjected to a static uniform compressive axial pre-load plus a harmonic axial load. A low-dimensional modal expansion, which satisfies the relevant boundary and continuity conditions, and takes into account all relevant nonlinear modal interactions observed in the past in the nonlinear vibrations of cylindrical shells with and without flow is used together with the Galerkin method to derive a set of eight coupled nonlinear ordinary differential equations of motion which are, in turn, solved by the Runge-Kutta method. The shell is considered to be initially at rest, in a position corresponding to a pre-buckling configuration. Then, a harmonic excitation is applied and conditions for parametric instability and dynamic snap-through are sought. The results clarify the marked influence of geometric imperfections and fluid flow on the dynamic stability boundaries, bifurcations and basins of attraction.

  4. Sensitivity of buckling loads of anisotropic shells of revolution to geometric imperfections and design changes

    NASA Technical Reports Server (NTRS)

    Cohen, Gerald A.; Haftka, Raphael T.

    1989-01-01

    Buckling load sensitivity calculations in the shell-of-revolution program FASOR are discussed. This development is based on Koiter's initial postbuckling theory, which has been generalized to include the effect of stiffness changes, as well as geometric imperfections. The implementation in FASOR is valid for anisotropic, as well as orthotropic, shells. Examples are presented for cylindrical panels under axial compression, complete cylindrical shells in torsion, and antisymmetric angle-ply cylindrical panels under edge shear.

  5. Kenneth Wilson and Lattice QCD

    NASA Astrophysics Data System (ADS)

    Ukawa, Akira

    2015-09-01

    We discuss the physics and computation of lattice QCD, a space-time lattice formulation of quantum chromodynamics, and Kenneth Wilson's seminal role in its development. We start with the fundamental issue of confinement of quarks in the theory of the strong interactions, and discuss how lattice QCD provides a framework for understanding this phenomenon. A conceptual issue with lattice QCD is a conflict of space-time lattice with chiral symmetry of quarks. We discuss how this problem is resolved. Since lattice QCD is a non-linear quantum dynamical system with infinite degrees of freedom, quantities which are analytically calculable are limited. On the other hand, it provides an ideal case of massively parallel numerical computations. We review the long and distinguished history of parallel-architecture supercomputers designed and built for lattice QCD. We discuss algorithmic developments, in particular the difficulties posed by the fermionic nature of quarks, and their resolution. The triad of efforts toward better understanding of physics, better algorithms, and more powerful supercomputers have produced major breakthroughs in our understanding of the strong interactions. We review the salient results of this effort in understanding the hadron spectrum, the Cabibbo-Kobayashi-Maskawa matrix elements and CP violation, and quark-gluon plasma at high temperatures. We conclude with a brief summary and a future perspective.

  6. Economic production quantity (EPQ) models under an imperfect production process with shortages backordered

    NASA Astrophysics Data System (ADS)

    Hsu, Lie-Fern; Hsu, Jia-Tzer

    2016-03-01

    In this paper, we develop economic production quantity (EPQ) models to determine the optimal production lot size and backorder quantity for a manufacturer under an imperfect production process. The imperfect production process is characterised by the fraction of defective items at the time of production γ. The paper considers different cases of the EPQ model depending on (1) whether γ is known with certainty or is a random variable, and (2) whether imperfect items are drawn from inventory (a) as they are detected, (b) at the end of each production period or (c) at the end of each production cycle. Straightforward convexity results are shown and closed-form solutions are provided for the optimal order and backorder quantities for each of the cases we considered. We provide two numerical examples: one in which the defective probability follows a uniform distribution and the second which we assume follows a beta distribution, to illustrate the effects of yield variability and timing of the withdrawal of defectives on the optimal solutions. We obtain similar results for both numerical examples, which show that both the yield variability and the withdrawal timing are not critical factors.

  7. Lamb wave dispersion in a PZT/metal/PZT sandwich plate with imperfect interface

    NASA Astrophysics Data System (ADS)

    Kurt, Ilkay; Akbarov, Surkay D.; Sezer, Semih

    2016-07-01

    The Lamb wave dispersion in a PZT/Metal/PZT sandwich plate is investigated by employing the exact linear equations of electro-elastic waves in piezoelectric materials within the scope of the plane-strain state. It is assumed that at the interfaces between the piezoelectric face layers and metal core layer, shear-spring and normal-spring type imperfect conditions are satisfied. The degree of this imperfectness is estimated through the corresponding shear-spring and normal-spring type parameters which appear in the contact condition characterizing the transverse and normal displacements' discontinuity. The corresponding dispersion equation is derived, and as a result of the numerical solution to this equation, the dispersion curves are constructed for the first and second lowest modes in the cases where the material of the face layers is PZT and the material of the middle layer is Steel (St). Consequently, for the PZT/St/PZT sandwich plate, the study of the influence of the problem parameters such as the piezoelectric and dielectric constants, layer thickness ratios, non-dimensional shear-spring, and normal-spring type parameters, is carried out. In particular, it is established that the imperfectness of the contact between the layers of the plate causes a decrease in the values of the wave propagation velocity.

  8. Buckling Analysis of a Honeycomb-Core Composite Cylinder with Initial Geometric Imperfections

    NASA Technical Reports Server (NTRS)

    Cha, Gene; Schultz, Marc R.

    2013-01-01

    Thin-walled cylindrical shell structures often have buckling as the critical failure mode, and the buckling of such structures can be very sensitive to small geometric imperfections. The buckling analyses of an 8-ft-diameter, 10-ft-long honeycomb-core composite cylinder loaded in pure axial compression is discussed in this document. Two loading configurations are considered configuration 1 uses simple end conditions, and configuration 2 includes additional structure that may more closely approximate experimental loading conditions. Linear eigenvalue buckling analyses and nonlinear analyses with and without initial geometric imperfections were performed on both configurations. The initial imperfections were introduced in the shell by applying a radial load at the midlength of the cylinder to form a single inward dimple. The critical bifurcation buckling loads are predicted to be 924,190 lb and 924,020 lb for configurations 1 and 2, respectively. Nonlinear critical buckling loads of 918,750 lb and 954,900 lb were predicted for geometrically perfect configurations 1 and 2, respectively. Lower-bound critical buckling loads for configurations 1 and 2 with radial perturbations were found to be 33% and 36% lower, respectively, than the unperturbed critical loads. The inclusion of the load introduction cylinders in configuration 2 increased the maximum bending-boundary-layer rotation up to 11%.

  9. Development of a diagnostic test based on multiple continuous biomarkers with an imperfect reference test.

    PubMed

    García Barrado, Leandro; Coart, Els; Burzykowski, Tomasz

    2016-02-20

    Ignoring the fact that the reference test used to establish the discriminative properties of a combination of diagnostic biomarkers is imperfect can lead to a biased estimate of the diagnostic accuracy of the combination. In this paper, we propose a Bayesian latent-class mixture model to select a combination of biomarkers that maximizes the area under the ROC curve (AUC), while taking into account the imperfect nature of the reference test. In particular, a method for specification of the prior for the mixture component parameters is developed that allows controlling the amount of prior information provided for the AUC. The properties of the model are evaluated by using a simulation study and an application to real data from Alzheimer's disease research. In the simulation study, 100 data sets are simulated for sample sizes ranging from 100 to 600 observations, with a varying correlation between biomarkers. The inclusion of an informative as well as a flat prior for the diagnostic accuracy of the reference test is investigated. In the real-data application, the proposed model was compared with the generally used logistic-regression model that ignores the imperfectness of the reference test. Conditional on the selected sample size and prior distributions, the simulation study results indicate satisfactory performance of the model-based estimates. In particular, the obtained average estimates for all parameters are close to the true values. For the real-data application, AUC estimates for the proposed model are substantially higher than those from the 'traditional' logistic-regression model.

  10. The relationship between mimetic imperfection and phenotypic variation in insect colour patterns.

    PubMed

    Holloway, Graham; Gilbert, Francis; Brandt, Amoret

    2002-02-22

    Many hoverflies (Syrphidae) mimic wasps or bees through colour or behavioural adaptations. The relationship between phenotypic variation in colour pattern and mimetic perfection (as determined by pigeons) was investigated in three species of Müllerian mimics (Vespula spp.) and 10 Batesian hoverfly mimics, plus two non-mimetic species of flies. Four predictions were tested: (i) Batesian mimics might be imperfect because they are in the process of evolving towards perfection, hence there should be a positive relationship between variation and imperfection; (ii) some Batesian mimics are imperfect because they do not have the appropriate genetic variation to improve and have evolved to be as good as possible, hence there should be no differences between species, all displaying a low level of variation; (iii) very common hoverflies should show the highest levels of variation because they outnumber their models, resulting in high predation and a breakdown in the mimetic relationship; and (iv) social wasps (Vespula) have such a powerful defence that anything resembling a wasp, both Müllerian and perfect Batesian mimics, would be avoided, resulting in relaxed selection and high variance. Poor mimics may still evolve to resemble wasps as well as possible and display lower levels of variation. The data only provided support for the fourth prediction. The Müllerian mimics, one of the most perfect Batesian mimics, and the non-mimetic flies displayed much higher levels of variation than the other species of Batesian mimics.

  11. The relationship between mimetic imperfection and phenotypic variation in insect colour patterns.

    PubMed Central

    Holloway, Graham; Gilbert, Francis; Brandt, Amoret

    2002-01-01

    Many hoverflies (Syrphidae) mimic wasps or bees through colour or behavioural adaptations. The relationship between phenotypic variation in colour pattern and mimetic perfection (as determined by pigeons) was investigated in three species of Müllerian mimics (Vespula spp.) and 10 Batesian hoverfly mimics, plus two non-mimetic species of flies. Four predictions were tested: (i) Batesian mimics might be imperfect because they are in the process of evolving towards perfection, hence there should be a positive relationship between variation and imperfection; (ii) some Batesian mimics are imperfect because they do not have the appropriate genetic variation to improve and have evolved to be as good as possible, hence there should be no differences between species, all displaying a low level of variation; (iii) very common hoverflies should show the highest levels of variation because they outnumber their models, resulting in high predation and a breakdown in the mimetic relationship; and (iv) social wasps (Vespula) have such a powerful defence that anything resembling a wasp, both Müllerian and perfect Batesian mimics, would be avoided, resulting in relaxed selection and high variance. Poor mimics may still evolve to resemble wasps as well as possible and display lower levels of variation. The data only provided support for the fourth prediction. The Müllerian mimics, one of the most perfect Batesian mimics, and the non-mimetic flies displayed much higher levels of variation than the other species of Batesian mimics. PMID:11886630

  12. The effect of alternative prey on the dynamics of imperfect Batesian and Müllerian mimicries.

    PubMed

    Lindström, Leena; Alatalo, Rauno V; Lyytinen, Anne; Mappes, Johanna

    2004-06-01

    Both Batesian and Müllerian mimicries are considered classical evidence of natural selection where predation pressure has, at times, created a striking similarity between unrelated prey species. Batesian mimicry, in which palatable mimics resemble unpalatable aposematic species, is parasitic and only beneficial to the mimics. By contrast, in classical Müllerian mimicry the cost of predators' avoidance learning is shared between similar unpalatable co-mimics, and therefore mimicry benefits all parties. Recent studies using mathematical modeling have questioned the dynamics of Müllerian mimicry, suggesting that fitness benefits should be calculated in a way similar to Batesian mimicry; that is, according to the relative unpalatability difference between co-mimics. Batesian mimicry is very sensitive to the availability of alternative prey, but the effects of alternative prey for Müllerian dynamics are not known and experiments are rare. We designed two experiments to test the effect of alternative prey on imperfect Batesian and Müllerian mimicry complexes. When alternative prey were scarce, imperfect Batesian mimics were selected out from the population, but abundantly available alternative prey relaxed selection against imperfect mimics. Birds learned to avoid both Müllerian models and mimics irrespective of the availability of alternative prey. However, the rate of avoidance learning of models increased when alternative prey were abundant. This experiment suggests that the availability of alternative prey affects the dynamics of both Müllerian and Batesian mimicry, but in different ways.

  13. Introduction to lattice gauge theory

    SciTech Connect

    Gupta, R.

    1987-01-01

    The lattice formulation of Quantum Field Theory (QFT) can be exploited in many ways. We can derive the lattice Feynman rules and carry out weak coupling perturbation expansions. The lattice then serves as a manifestly gauge invariant regularization scheme, albeit one that is more complicated than standard continuum schemes. Strong coupling expansions: these give us useful qualitative information, but unfortunately no hard numbers. The lattice theory is amenable to numerical simulations by which one calculates the long distance properties of a strongly interacting theory from first principles. The observables are measured as a function of the bare coupling g and a gauge invariant cut-off approx. = 1/..cap alpha.., where ..cap alpha.. is the lattice spacing. The continuum (physical) behavior is recovered in the limit ..cap alpha.. ..-->.. 0, at which point the lattice artifacts go to zero. This is the more powerful use of lattice formulation, so in these lectures the author focuses on setting up the theory for the purpose of numerical simulations to get hard numbers. The numerical techniques used in Lattice Gauge Theories have their roots in statistical mechanics, so it is important to develop an intuition for the interconnection between quantum mechanics and statistical mechanics. This will be the emphasis of the first lecture. In the second lecture, the author reviews the essential ingredients of formulating QCD on the lattice and discusses scaling and the continuum limit. In the last lecture the author summarizes the status of some of the main results. He also mentions the bottlenecks and possible directions for research. 88 refs.

  14. Lattice Structure in Astrophysics: A reconsideration of White Dwarfs, Variables, and Wolf-Rayet Stars

    NASA Astrophysics Data System (ADS)

    Robitaille, Pierre-Marie

    2016-03-01

    Stars of the main sequence display a mass-luminosity relation which indicates that they share a common building block (hydrogen) and lattice structure (hexagonal planar) with the solar photosphere. White dwarfs however display very low luminosity in spite of their elevated color temperature. Rather than postulate that these stars represent degenerate matter, as Eddington and Chandrasekhar were forced to assume given their gaseous models, within the context of a Liquid Metallic Hydrogen Solar Model white dwarfs might simply be thought as possessing a different lattice structure (e.g. body centered cubic) and hence a lowered emissivity. They do not need to possess exceeding densities, reduced radii, and degeneracy in order to account for their lowered emissivity. Similarly, variable stars might well be oscillating between lattices types wherein the energy differences involved in the transformations are small. Other stars, such as Wolf-Rayet stars, which lack photospheric emission, might be too hot to enable a discrete lattice to form. Though condensed, the photosphere in that case would have a lattice which is so poorly organized that its emissivity is trivial. Nonetheless, the broad emission lines of Wolf-Rayet stars indicates that these objects are not breaking apart but rather, are important sites of condensation.

  15. Preparation of hexagonal WO{sub 3} from hexagonal ammonium tungsten bronze for sensing NH{sub 3}

    SciTech Connect

    Szilagyi, Imre Miklos Wang Lisheng; Gouma, Pelagia-Irene; Balazsi, Csaba; Madarasz, Janos; Pokol, Gyoergy

    2009-03-05

    Hexagonal tungsten oxide (h-WO{sub 3}) was prepared by annealing hexagonal ammonium tungsten bronze, (NH{sub 4}){sub 0.07}(NH{sub 3}){sub 0.04}(H{sub 2}O){sub 0.09}WO{sub 2.95}. The structure, composition and morphology of h-WO{sub 3} were studied by XRD, XPS, Raman, {sup 1}H MAS (magic angle spinning) NMR, scanning electron microscopy (SEM), and BET-N{sub 2} specific surface area measurement, while its thermal stability was investigated by in situ XRD. The h-WO{sub 3} sample was built up by 50-100 nm particles, had an average specific surface area of 8.3 m{sup 2}/g and was thermally stable up to 450 deg. C. Gas sensing tests showed that h-WO{sub 3} was sensitive to various levels (10-50 ppm) of NH{sub 3}, with the shortest response and recovery times (1.3 and 3.8 min, respectively) to 50 ppm NH{sub 3}. To this NH{sub 3} concentration, the sensor had significantly higher sensitivity than h-WO{sub 3} samples prepared by wet chemical methods.

  16. Phonon transport at the interfaces of vertically stacked graphene and hexagonal boron nitride heterostructures.

    PubMed

    Yan, Zhequan; Chen, Liang; Yoon, Mina; Kumar, Satish

    2016-02-21

    Hexagonal boron nitride (h-BN) is a promising substrate for graphene based nano-electronic devices. We investigate the ballistic phonon transport at the interface of vertically stacked graphene and h-BN heterostructures using first principles density functional theory and atomistic Green's function simulations considering the influence of lattice stacking. We compute the frequency and wave-vector dependent transmission function and observe distinct stacking-dependent phonon transmission features for the h-BN/graphene/h-BN sandwiched systems. We find that the in-plane acoustic modes have the dominant contributions to the phonon transmission and thermal boundary conductance (TBC) for the interfaces with the carbon atom located directly on top of the boron atom (C-B matched) because of low interfacial spacing. The low interfacial spacing is a consequence of the differences in the effective atomic volume of N and B and the difference in the local electron density around N and B. For the structures with the carbon atom directly on top of the nitrogen atom (C-N matched), the spatial distance increases and the contribution of in-plane modes to the TBC decreases leading to higher contributions by out-of-plane acoustic modes. We find that the C-B matched interfaces have stronger phonon-phonon coupling than the C-N matched interfaces, which results in significantly higher TBC (more than 50%) in the C-B matched interface. The findings in this study will provide insights to understand the mechanism of phonon transport at h-BN/graphene/h-BN interfaces, to better explain the experimental observations and to engineer these interfaces to enhance heat dissipation in graphene based electronic devices. PMID:26817419

  17. Phonon Transport at the Interfaces of Vertically Stacked Graphene and Hexagonal Boron Nitride Heterostructures

    DOE PAGES

    Yan, Zhequan; Chen, Liang; Yoon, Mina; Kumar, Satish

    2016-01-12

    Hexagonal boron nitride (h-BN) is a substrate for graphene based nano-electronic devices. We investigate the ballistic phonon transport at the interface of vertically stacked graphene and h-BN heterostructures using first principles density functional theory and atomistic Green's function simulations considering the influence of lattice stacking. We compute the frequency and wave-vector dependent transmission function and observe distinct stacking-dependent phonon transmission features for the h-BN/graphene/h-BN sandwiched systems. We find that the in-plane acoustic modes have the dominant contributions to the phonon transmission and thermal boundary conductance (TBC) for the interfaces with the carbon atom located directly on top of the boronmore » atom (C–B matched) because of low interfacial spacing. The low interfacial spacing is a consequence of the differences in the effective atomic volume of N and B and the difference in the local electron density around N and B. For the structures with the carbon atom directly on top of the nitrogen atom (C–N matched), the spatial distance increases and the contribution of in-plane modes to the TBC decreases leading to higher contributions by out-of-plane acoustic modes. We find that the C–B matched interfaces have stronger phonon–phonon coupling than the C–N matched interfaces, which results in significantly higher TBC (more than 50%) in the C–B matched interface. The findings in this study will provide insights to understand the mechanism of phonon transport at h-BN/graphene/h-BN interfaces, to better explain the experimental observations and to engineer these interfaces to enhance heat dissipation in graphene based electronic devices.« less

  18. In Situ Observations during Chemical Vapor Deposition of Hexagonal Boron Nitride on Polycrystalline Copper

    PubMed Central

    2014-01-01

    Using a combination of complementary in situ X-ray photoelectron spectroscopy and X-ray diffraction, we study the fundamental mechanisms underlying the chemical vapor deposition (CVD) of hexagonal boron nitride (h-BN) on polycrystalline Cu. The nucleation and growth of h-BN layers is found to occur isothermally, i.e., at constant elevated temperature, on the Cu surface during exposure to borazine. A Cu lattice expansion during borazine exposure and B precipitation from Cu upon cooling highlight that B is incorporated into the Cu bulk, i.e., that growth is not just surface-mediated. On this basis we suggest that B is taken up in the Cu catalyst while N is not (by relative amounts), indicating element-specific feeding mechanisms including the bulk of the catalyst. We further show that oxygen intercalation readily occurs under as-grown h-BN during ambient air exposure, as is common in further processing, and that this negatively affects the stability of h-BN on the catalyst. For extended air exposure Cu oxidation is observed, and upon re-heating in vacuum an oxygen-mediated disintegration of the h-BN film via volatile boron oxides occurs. Importantly, this disintegration is catalyst mediated, i.e., occurs at the catalyst/h-BN interface and depends on the level of oxygen fed to this interface. In turn, however, deliberate feeding of oxygen during h-BN deposition can positively affect control over film morphology. We discuss the implications of these observations in the context of corrosion protection and relate them to challenges in process integration and heterostructure CVD. PMID:25673919

  19. Legless locomotion in lattices

    NASA Astrophysics Data System (ADS)

    Schiebel, Perrin; Goldman, Daniel I.

    2014-11-01

    Little is known about interactions between an animal body and complex terrestrial terrain like sand and boulders during legless, undulatory travel (e.g. snake locomotion). We study the locomotor performance of Mojave shovel-nosed snakes (Chionactisoccipitalis , ~ 35 cm long) using a simplified model of heterogeneous terrain: symmetric lattices of obstacles. To quantify performance we measure mean forward speed and slip angle, βs, defined as the angle between the instantaneous velocity and tangent vectors at each point on the body. We find that below a critical peg density the presence of granular media results in high speed (~ 60 cm/s), low average slip (βs ~6°) snake performance as compared to movement in the same peg densities on hard ground (~ 25 cm/s and βs ~15°). Above this peg density, performance on granular and hard substrates converges. Speed on granular media decreases with increasing peg density to that of the speed on hard ground, while speed on hard ground remains constant. Conversely, βs on hard ground trends toward that on granular media as obstacle density increases.

  20. Reliability analysis of interdependent lattices

    NASA Astrophysics Data System (ADS)

    Limiao, Zhang; Daqing, Li; Pengju, Qin; Bowen, Fu; Yinan, Jiang; Zio, Enrico; Rui, Kang

    2016-06-01

    Network reliability analysis has drawn much attention recently due to the risks of catastrophic damage in networked infrastructures. These infrastructures are dependent on each other as a result of various interactions. However, most of the reliability analyses of these interdependent networks do not consider spatial constraints, which are found important for robustness of infrastructures including power grid and transport systems. Here we study the reliability properties of interdependent lattices with different ranges of spatial constraints. Our study shows that interdependent lattices with strong spatial constraints are more resilient than interdependent Erdös-Rényi networks. There exists an intermediate range of spatial constraints, at which the interdependent lattices have minimal resilience.