The Symmetry and Packing Fraction of the Body Centered Tetragonal Structure

ERIC Educational Resources Information Center

Dunlap, Richard A.

2012-01-01

It is shown that for different ratios of lattice parameters, "c/a," the body centered tetragonal structure may be view as body centered tetragonal, body centered cubic, face centered cubic or hexagonal. This illustrates that the apparent symmetry of a lattice depends on the choice of the conventional unit cell.

Improved expression, purification and crystallization of a putative N-acetyl-γ-glutamyl-phosphate reductase from rice (Oryza sativa)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miura-Ohnuma, Jun; Nonaka, Tsuyoshi; Katoh, Shizue

2005-12-01

Crystals of OsAGPR were obtained using the sitting-drop vapour-diffusion method at 293 K and diffract X-rays to at least 1.8 Å resolution. They belong to the hexagonal space group P6{sub 1}, with unit-cell parameters a = 86.11, c = 316.3 Å. N-Acetyl-γ-glutamyl-phosphate reductase (AGPR) catalyzes the third step in an eight-step arginine-biosynthetic pathway that starts with glutamate. This enzyme converts N-acetyl-γ-glutamyl phosphate to N-acetylglutamate-γ-semialdehyde by an NADPH-dependent reductive dephosphorylation. AGPR from Oryza sativa (OsAGPR) was expressed in Escherichia coli at 291 K as a soluble fusion protein with an upstream thioredoxin-hexahistidine [Trx-(His){sub 6}] extension. OsAGPR(Ala50–Pro366) was purified and crystals weremore » obtained using the sitting-drop vapour-diffusion method at 293 K and diffract X-rays to at least 1.8 Å resolution. They belong to the hexagonal space group P6{sub 1}, with unit-cell parameters a = 86.11, c = 316.3 Å.« less

The self-organization of grid cells in 3D

PubMed Central

Stella, Federico; Treves, Alessandro

2015-01-01

Do we expect periodic grid cells to emerge in bats, or perhaps dolphins, exploring a three-dimensional environment? How long will it take? Our self-organizing model, based on ring-rate adaptation, points at a complex answer. The mathematical analysis leads to asymptotic states resembling face centered cubic (FCC) and hexagonal close packed (HCP) crystal structures, which are calculated to be very close to each other in terms of cost function. The simulation of the full model, however, shows that the approach to such asymptotic states involves several sub-processes over distinct time scales. The smoothing of the initially irregular multiple fields of individual units and their arrangement into hexagonal grids over certain best planes are observed to occur relatively quickly, even in large 3D volumes. The correct mutual orientation of the planes, though, and the coordinated arrangement of different units, take a longer time, with the network showing no sign of convergence towards either a pure FCC or HCP ordering. DOI: http://dx.doi.org/10.7554/eLife.05913.001 PMID:25821989

Approximating the stress field within the unit cell of a fabric reinforced composite using replacement elements

NASA Technical Reports Server (NTRS)

Foye, R. L.

1993-01-01

This report concerns the prediction of the elastic moduli and the internal stresses within the unit cell of a fabric reinforced composite. In the proposed analysis no restrictions or assumptions are necessary concerning yarn or tow cross-sectional shapes or paths through the unit cell but the unit cell itself must be a right hexagonal parallelepiped. All the unit cell dimensions are assumed to be small with respect to the thickness of the composite structure that it models. The finite element analysis of a unit cell is usually complicated by the mesh generation problems and the non-standard, adjacent-cell boundary conditions. This analysis avoids these problems through the use of preprogrammed boundary conditions and replacement materials (or elements). With replacement elements it is not necessary to match all the constitutional material interfaces with finite element boundaries. Simple brick-shaped elements can be used to model the unit cell structure. The analysis predicts the elastic constants and the average stresses within each constituent material of each brick element. The application and results of this analysis are demonstrated through several example problems which include a number of composite microstructures.

Grid cell hexagonal patterns formed by fast self-organized learning within entorhinal cortex.

PubMed

Mhatre, Himanshu; Gorchetchnikov, Anatoli; Grossberg, Stephen

2012-02-01

Grid cells in the dorsal segment of the medial entorhinal cortex (dMEC) show remarkable hexagonal activity patterns, at multiple spatial scales, during spatial navigation. It has previously been shown how a self-organizing map can convert firing patterns across entorhinal grid cells into hippocampal place cells that are capable of representing much larger spatial scales. Can grid cell firing fields also arise during navigation through learning within a self-organizing map? This article describes a simple and general mathematical property of the trigonometry of spatial navigation which favors hexagonal patterns. The article also develops a neural model that can learn to exploit this trigonometric relationship. This GRIDSmap self-organizing map model converts path integration signals into hexagonal grid cell patterns of multiple scales. GRIDSmap creates only grid cell firing patterns with the observed hexagonal structure, predicts how these hexagonal patterns can be learned from experience, and can process biologically plausible neural input and output signals during navigation. These results support an emerging unified computational framework based on a hierarchy of self-organizing maps for explaining how entorhinal-hippocampal interactions support spatial navigation. Copyright © 2010 Wiley Periodicals, Inc.

Adaptive cellular structures and devices with internal features for enhanced structural performance

NASA Astrophysics Data System (ADS)

Pontecorvo, Michael Eugene

This dissertation aims to develop a family of cellular and repeatable devices that exhibit a variety of force-displacement behaviors. It is envisioned that these cellular structures might be used either as stand-alone elements, or combined and repeated to create multiple types of structures (i.e. buildings, ship hulls, vehicle subfloors, etc.) with the ability to passively or actively perform multiple functions (harmonic energy dissipation, impact mitigation, modulus change) over a range of loading types, amplitudes, and frequencies. To accomplish this goal, this work combines repeatable structural frameworks, such as that provided by a hexagonal cellular structure, with internal structural elements such as springs, viscous dampers, buckling plates, bi-stable von Mises trusses (VMTs), and pneumatic artificial muscles (PAMs). The repeatable framework serves to position damping and load carrying elements throughout the structure, and the configuration of the internal elements allow each cell to be tuned to exhibit a desired force-displacement response. Therefore, gradient structures or structures with variable load paths can be created for an optimal global response to a range of loads. This dissertation focuses on the development of cellular structures for three functions: combined load-carrying capability with harmonic energy dissipation, impact mitigation, and cell modulus variation. One or more conceptual designs are presented for devices that can perform each of these functions, and both experimental measurements and simulations are used to gain a fundamental understanding of each device. Chapter 2 begins with a presentation of a VMT model that is the basis for many of the elements. The equations of motion for the VMT are derived and the static and dynamic behavior of the VMT are discussed in detail. Next, two metrics for the energy dissipation of the VMT - hysteresis loop area and loss factor - are presented. The responses of the VMT to harmonic displacement and force inputs are contrasted in relation to these metrics. The key innovation to the early structural elements presented here is the combination of the VMT with the pin-jointed hexagonal cell. Chapter 3 explores several prototypes of repeatable structural elements for simultaneous load-carrying capability and energy dissipation that are based on this innovation. The final demonstration prototype presented in this chapter is a column-like element that is based on a hexagonal cell containing two horizontal springs and one vertical damper. The unit is enclosed by a pair of buckling plates that serve to give the prototype a high initial stiffness and load carrying capability. The prototype is tested in both displacement and force input and its behavior is compared to simulation. Chapter 4 builds on the conceptual designs of Chapter 3 with the introduction of a plate-like element, that contains two compact VMTs connected by a horizontally oriented damper. Pre-loaded springs are used in the prototype to perform the same load carrying function as the buckling plates in the column-like prototype with increased predictability. The plate-like prototype is studied under impact to demonstrate its effectiveness as a protective layer. It is shown to reduce peak impact loads transmitted to the base of the device by over 60%. In most cases, the prototype compares well with a conventional protective rubber layer, and in cases of extreme impact loads, it exceeds the performance of the rubber layer. In addition to impact testing, the prototype is also experimentally tested under harmonic displacement input, and is simulated under both harmonic displacement and force input. The experiments illustrate that while the VMT parameters of a single layer can be optimized to a particular harmonic load amplitude, having two layers with softer and stiffer VMTs allows the system to show good energy dissipation characteristics at different harmonic load amplitude levels. Chapter 5 examines using PAM inclusions within planar hexagonal cells as variable stiffness springs to create a variable modulus cellular structure. The proposed concept is envisioned as a first step toward a structural unit cell whose in-plane modulus in a given direction can be tuned based on the orientation of PAMs within the cell and the pressure supplied to the individual muscles. To begin, a pin-jointed cell is considered, loaded in the horizontal direction, with three PAMs (one vertical PAM and two horizontal PAMs) oriented in an "H" configuration between the vertices of the cell. A method for calculation of the hexagonal cell modulus is introduced, as is an expression for the balance of tensile forces between the horizontal and vertical PAMs. An aluminum hexagonal unit cell is fabricated and simulation of the hexagonal cell with PAM inclusions is then compared to experimental measurement of the unit cell modulus in the horizontal direction over a pressure range up to 682 kPa. An increase in cell modulus of 200% and a corresponding change in cell angle of 1.53 degrees are demonstrated experimentally. A design study via simulation predicts that differential pressurization of the PAMs up to 1992 kPa can increase the cell modulus in the horizontal direction by a factor of 6.66 with a change in cell angle of only 2.75 degrees. Additionally, simulation predicts that variation of unpressurized cell equilibrium angle and vertical wall length coefficient can result in changes in cell modulus greater than 1000%. A drawback of the pin-jointed cell with PAM inclusions is that it is inherently underconstrained. To solve this problem, the pin-jointed cell walls are replaced with a continuous Delrin hexagon which gives the cell kinematic stability and allows for experimental measurement of modulus in both the horizontal and vertical directions. The Delrin cell is designed to have a modulus on the same order as that of the pin-jointed cell at zero pressure and is experimentally measured without the PAM inclusions. These measurements validate the use of a combined flexural/hinging analytical model that accurately simulates the cell modulus. This analysis is then combined with the PAM force equations to model the complete hexagonal cell with PAM inclusions. Simulation and experimental measurement of the cell modulus with the PAM inclusions are compared in both the horizontal and vertical directions over an expanded pressure range up to 1302 kPa. The interplay between the contraction ratio and pressure in orthogonal sets of PAMs is highlighted as the primary driver of overall cell modulus.

Crystallization and preliminary X-ray diffraction analysis of West Nile virus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaufmann, Barbel; Plevka, Pavel; Kuhn, Richard J.

2010-05-25

West Nile virus, a human pathogen, is closely related to other medically important flaviviruses of global impact such as dengue virus. The infectious virus was purified from cell culture using polyethylene glycol (PEG) precipitation and density-gradient centrifugation. Thin amorphously shaped crystals of the lipid-enveloped virus were grown in quartz capillaries equilibrated by vapor diffusion. Crystal diffraction extended at best to a resolution of about 25 {angstrom} using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a {approx_equal} b {approx_equal} 480 {angstrom}, {gamma} = 120{sup o}, suggesting a tight hexagonal packing of onemore » virus particle per unit cell.« less

Towards atomic scale engineering of rare-earth-doped SiAlON ceramics through aberration-corrected scanning transmission electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yurdakul, Hilmi; Idrobo Tapia, Juan C; Pennycook, Stephen J

2011-01-01

Direct visualization of rare earths in {alpha}- and {beta}-SiAlON unit-cells is performed through Z-contrast imaging technique in an aberration-corrected scanning transmission electron microscope. The preferential occupation of Yb and Ce atoms in different interstitial locations of {beta}-SiAlON lattice is demonstrated, yielding higher solubility for Yb than Ce. The triangular-like host sites in {alpha}-SiAlON unit cell accommodate more Ce atoms than hexagonal sites in {beta}-SiAlON. We think that our results will be applicable as guidelines for many kinds of rare-earth-doped materials.

Structural, electronic and vibrational properties of LaF3 according to density functional theory and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Oreshonkov, A. S.; Roginskii, E. M.; Krylov, A. S.; Ershov, A. A.; Voronov, V. N.

2018-06-01

Crystal structure of LaF3 single crystal is refined in tysonite-type trigonal unit cell P c1 using density functional theory calculations and Raman spectroscopy. It is shown that trigonal structure with P c1 space group is more energy-efficient than hexagonal structure with space group P63 cm. Simulated Raman spectra obtained using LDA approximation is in much better agreement with experimental data than that obtained with PBE and PBEsol functionals of GGA. The calculated frequency value of silent mode B 2 in case of hexagonal structure P63 cm was found to be imaginary (unstable mode), thus the energy surface obtains negative curvature with respect to the corresponding normal coordinates of the mode which leads to instability of the hexagonal structure in harmonic approximation. The A 1g line at 214 cm‑1 in Raman spectra of LaF3 related to the translation of F2 ions along c axis can be connected with F2 ionic conductivity.

Liquid phase deposition synthesis of hexagonal molybdenum trioxide thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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) spectramore » 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« less

A Micromechanics Finite Element Model for Studying the Mechanical Behavior of Spray-On Foam Insulation (SOFI)

NASA Technical Reports Server (NTRS)

Ghosn, Louis J.; Sullivan, Roy M.; Lerch, Bradley A.

2006-01-01

A micromechanics model has been constructed to study the mechanical behavior of spray-on foam insulation (SOFI) for the external tank. The model was constructed using finite elements representing the fundamental repeating unit of the SOFI microstructure. The details of the micromechanics model were based on cell observations and measured average cell dimensions discerned from photomicrographs. The unit cell model is an elongated Kelvin model (fourteen-sided polyhedron with 8 hexagonal and six quadrilateral faces), which will pack to a 100% density. The cell faces and cell edges are modeled using three-dimensional 20-node brick elements. Only one-eighth of the cell is modeled due to symmetry. By exercising the model and correlating the results with the macro-mechanical foam behavior obtained through material characterization testing, the intrinsic stiffness and Poisson s Ratio of the polymeric cell walls and edges are determined as a function of temperature. The model is then exercised to study the unique and complex temperature-dependent mechanical behavior as well as the fracture initiation and propagation at the microscopic unit cell level.

M{sub 2}X intermetallics: Nonmetal insertion in a h.c.-like metallic distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pivan, J.Y.; Guerin, R.

A simple structural model is proposed on the basis of an ideal hexagonal close-packing (AB){sup {infinity}} of the metal atoms M. The metalloid atoms X, located in an ordered manner in the metallic planes with the stacking sequence ..(A){sup {infinity}}.. or ..(B){sup {infinity}}.., generate two types of elementary units called units U{sub I} and U{sub II}. These units are hexagonal prisms with the fundamental vectors a{sub 0}, b{sub 0}, c{sub 0} and the elementary volume V{sub 0}. When the exclusive occurrence of U{sub I} (or U{sub II}) only yields 6-prismatic and triangular sites of metalloid atoms X, additional tetrahedral andmore » pyramidal sites of X atoms are present when units U{sub I} and U{sub II} exist simultaneously. The structures of compounds with the general formula M{sub 2}X (M = 3d, 4d, 5d and (or) 4f, 5f elements, X = B, P, As, Sb, Si, Ge, {hor_ellipsis}) are described in terms of intergrowth mechanisms. Binary, ternary, or even quaternary structures of compounds, with M/X ratios equal or close to two, appear as superstructures of the elementary units. Insofar as no ordering is considered along the stacking direction, the vectorial combinations of the fundamental vectors in the form A = h.a{sub 0}+s.b{sub 0}, B = k.a{sub 0}+t.b{sub 0}, C = c{sub 0} result in supercells with the volume V = (h.t {minus} k.s).V{sub 0}. The attainable symmetry (hexagonal, tetragonal, orthorhombic, monoclinic, {hor_ellipsis}) strongly depends on the particular values of the integers h, s, k, t. The criteria of occurrence of various series of compounds are presented together with their crystallographic features and structural relationships are emphasized. Moreover, the model demonstrates that numerous compounds with the predicted unit cell parameters should be obtained in each crystal system.« less

Transformations in methane hydrates

USGS Publications Warehouse

Chou, I.-Ming; Sharma, A.; Burruss, R.C.; Shu, J.; Mao, Ho-kwang; Hemley, R.J.; Goncharov, A.F.; Stern, L.A.; Kirby, S.H.

2000-01-01

Detailed study of pure methane hydrate in a diamond cell with in situ optical, Raman, and x-ray microprobe techniques reveals two previously unknown structures, structure II and structure H, at high pressures. The structure II methane hydrate at 250 MPa has a cubic unit cell of a = 17.158(2) A?? and volume V = 5051.3(13) A??3; structure H at 600 MPa has a hexagonal unit cell of a = 11.980(2) A??, c = 9.992(3) A??, and V = 1241.9(5) A??3. The compositions of these two investigated phases are still not known. With the effects of pressure and the presence of other gases in the structure, the structure II phase is likely to dominate over the known structure I methane hydrate within deep hydrate-bearing sediments underlying continental margins.

Hexagonal comb cells of honeybees are not produced via a liquid equilibrium process

NASA Astrophysics Data System (ADS)

Bauer, Daniel; Bienefeld, Kaspar

2013-01-01

The nests of European honeybees ( Apis mellifera) are organised into wax combs that contain many cells with a hexagonal structure. Many previous studies on comb-building behaviour have been made in order to understand how bees produce this geometrical structure; however, it still remains a mystery. Direct construction of hexagons by bees was suggested previously, while a recent hypothesis postulated the self-organised construction of hexagonal comb cell arrays; however, infrared and thermographic video observations of comb building in the present study failed to support the self-organisation hypothesis because bees were shown to be engaged in direct construction. Bees used their antennae, mandibles and legs in a regular sequence to manipulate the wax, while some bees supported their work by actively warming the wax. During the construction of hexagonal cells, the wax temperature was between 33.6 and 37.6 °C. This is well below 40 °C, i.e. the temperature at which wax is assumed to exist in the liquid equilibrium that is essential for self-organised building.

Dirac cones in isogonal hexagonal metallic structures

NASA Astrophysics Data System (ADS)

Wang, Kang

2018-03-01

A honeycomb hexagonal metallic lattice is equivalent to a triangular atomic one and cannot create Dirac cones in its electromagnetic wave spectrum. We study in this work the low-frequency electromagnetic band structures in isogonal hexagonal metallic lattices that are directly related to the honeycomb one and show that such structures can create Dirac cones. The band formation can be described by a tight-binding model that allows investigating, in terms of correlations between local resonance modes, the condition for the Dirac cones and the consequence of the third structure tile sustaining an extra resonance mode in the unit cell that induces band shifts and thus nonlinear deformation of the Dirac cones following the wave vectors departing from the Dirac points. We show further that, under structure deformation, the deformations of the Dirac cones result from two different correlation mechanisms, both reinforced by the lattice's metallic nature, which directly affects the resonance mode correlations. The isogonal structures provide new degrees of freedom for tuning the Dirac cones, allowing adjustment of the cone shape by modulating the structure tiles at the local scale without modifying the lattice periodicity and symmetry.

Crystallization and preliminary X-ray diffraction analysis of a novel Arg49 phospholipase A{sub 2} homologue from Zhaoermia mangshanensis venom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murakami, Mário T.; Center for Applied Toxinology, CAT-CEPID, São Paulo, SP; Advanced Center for Genomics and Proteomics, UNESP-State University of São Paulo, São José do Rio Preto 15054-000

2007-07-01

A single crystal of zhaoermiatoxin with maximum dimensions of 0.2 × 0.2 × 0.5 mm was used for X-ray diffraction data collection to a resolution of 2.05 Å using synchrotron radiation and the diffraction pattern was indexed in the hexagonal space group P6{sub 4}, with unit-cell parameters a = 72.9, b = 72.9, c = 93.9 Å. Zhaoermiatoxin, an Arg49 phospholipase A{sub 2} homologue from Zhaoermia mangshanensis (formerly Trimeresurus mangshanensis, Ermia mangshanensis) venom is a novel member of the PLA{sub 2}-homologue family that possesses an arginine residue at position 49, probably arising from a secondary Lys49→Arg substitution that does notmore » alter the catalytic inactivity towards phospholipids. Like other Lys49 PLA{sub 2} homologues, zhaoermiatoxin induces oedema and strong myonecrosis without detectable PLA{sub 2} catalytic activity. A single crystal with maximum dimensions of 0.2 × 0.2 × 0.5 mm was used for X-ray diffraction data collection to a resolution of 2.05 Å using synchrotron radiation and the diffraction pattern was indexed in the hexagonal space group P6{sub 4}, with unit-cell parameters a = 72.9, b = 72.9, c = 93.9 Å.« less

Star cell type core configuration for structural sandwich materials

DOEpatents

Christensen, Richard M.

1995-01-01

A new pattern for cellular core material used in sandwich type structural materials. The new pattern involves star shaped cells intermixed with hexagonal shaped cells. The new patterned cellular core material includes star shaped cells interconnected at points thereof and having hexagonal shape cells positioned adjacent the star points. The new pattern allows more flexibility and can conform more easily to curved shapes.

Interlocking egg-crate type grid assembly

DOEpatents

Kast, Steven J.

1987-01-01

Disclosed is an interlocking egg-crate hexagonal grid for supporting a nuclear fuel pin in a hexagonal array. The grid is formed from strips bent at an angle of about 120.degree. at each vertex. Over some faces of each hexagonal cell the strips are coplanar but are arranged, by stacking and interlocking, to avoid any double thickness of metal in that plane. Springs and dimples are formed in the faces of each cell to hold the fuel pin substantially centered.

Interlocking egg-crate type grid assembly

DOEpatents

Kast, S.J.

1985-03-15

Disclosed is an interlocking egg-crate hexagonal grid for supporting a nuclear fuel pin in a hexagonal array. The grid is formed from strips bent at an angle of about 120/sup 0/ at each vertex. Over some faces of each hexagonal cell the strips are coplanar but are arranged, by stacking interlocking, to avoid any double thickness of metal in that plane. Springs and dimples are formed in the faces of each cell to hold the fuel pin substantially centered.

Hard Spheres on the Primitive Surface

NASA Astrophysics Data System (ADS)

Dotera, Tomonari; Takahashi, Yusuke

2015-03-01

Recently hierarchical structures associated with the gyroid in several soft-matter systems have been reported. One of fundamental questions is regular arrangement or tiling on minimal surfaces. We have found certain numbers of hard spheres per unit cell on the gyroid surface are entropically self-organized. Here, new results for the primitive surface are presented. 56/64/72 per unit cell on the primitive minimal surface are entropically self-organized. Numerical evidences for the fluid-solid transition as a function of hard sphere radius are obtained in terms of the acceptance ratio of Monte Carlo moves and order parameters. These arrangements, which are the extensions of the hexagonal arrangement on a flat surface, can be viewed as hyperbolic tiling on the Poincaré disk with a negative Gaussian curvature.

Old friends in a new light: “SnSb” revisited

NASA Astrophysics Data System (ADS)

Norén, Lasse; Withers, Ray L.; Schmid, Siegbert; Brink, Frank J.; Ting, Valeska

2006-02-01

The binary pnictide 'SnSb' has been re-investigated using a combination of X-ray, synchrotron and electron diffraction as well as electron microprobe analysis. Its structure was found to be incommensurately modulated with an underlying rhombohedral parent structure of space group symmetry R3¯m (No. 166), unit cell parameters a=b=4.3251(4) Å, c=5.3376(6) Å in the hexagonal setting. The incommensurate primary modulation wave vector q=1.3109(9)ch* and the superspace group symmetry is R3¯m (0, 0, ˜1.311) (No. 166.1). The refinement of the incommensurate structure indicates that the satellite reflections arise from displacive shifts of presumably essentially pure Sn and Sb layers along the hexagonal c-axis, with increasing distance between the Sn-layers and decreasing distance between the Sb layers.

Star cell type core configuration for structural sandwich materials

DOEpatents

Christensen, R.M.

1995-08-01

A new pattern for cellular core material used in sandwich type structural materials is disclosed. The new pattern involves star shaped cells intermixed with hexagonal shaped cells. The new patterned cellular core material includes star shaped cells interconnected at points thereof and having hexagonal shape cells positioned adjacent the star points. The new pattern allows more flexibility and can conform more easily to curved shapes. 3 figs.

A π-π 3D network of tetranuclear μ2/μ3-carbonato Dy(III) bis-pyrazolylpyridine clusters showing single molecule magnetism features.

PubMed

Gass, Ian A; Moubaraki, Boujemaa; Langley, Stuart K; Batten, Stuart R; Murray, Keith S

2012-02-18

2,6-Di(pyrazole-3-yl)pyridine, 3-bpp, forms a porous (4(9)·6(6)) π-π mediated 3D network of trigonal pyramidal [Dy(III)(4)] carbonato-bridged complexes, with hexagonal channels comprising 54% of the unit cell volume, the material displaying slow magnetisation reversal. This journal is © The Royal Society of Chemistry 2012

Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)

NASA Astrophysics Data System (ADS)

Schroeder, T.; Lee, T.-L.; Libralesso, L.; Joumard, I.; Zegenhagen, J.; Zaumseil, P.; Wenger, C.; Lupina, G.; Lippert, G.; Dabrowski, J.; Müssig, H.-J.

2005-04-01

The structure of ultrathin epitaxial Pr2O3 films on Si(111) was studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate. The hexagonal (0001) Pr2O3 plane matches the in-plane symmetry of the hexagonal Si(111) surface unit cell by aligning the ⟨101¯0⟩Pr2O3 along the ⟨112¯⟩ Si directions. The small lattice mismatch of 0.5% results in the growth of pseudomorphic oxide films of high crystalline quality with an average domain size of about 50 nm. The critical thickness tc for pseudomorphic growth amounts to 3.0±0.5nm. The relaxation of the oxide film from pseudomorphism to bulk behavior beyond tc causes the introduction of misfit dislocations, the formation of an in-plane small angle mosaicity structure, and the occurence of a phase transition towards a (111) oriented cubic Pr2O3 film structure. The observed phase transition highlights the influence of the epitaxial interface energy on the stability of Pr2O3 phases on Si(111). A mechanism is proposed which transforms the hexagonal (0001) into the cubic (111) Pr2O3 epilayer structure by rearranging the oxygen network but leaving the Pr sublattice almost unmodified.

Production, purification and preliminary X-ray crystallographic studies of adeno-associated virus serotype 7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quesada, Odayme; Gurda, Brittney; Govindasamy, Lakshmanan

2007-12-01

Crystals of baculovirus-expressed adeno-associated virus serotype 7 capsids have been produced which diffract X-rays to ∼3.0 Å resolution. Crystals of baculovirus-expressed adeno-associated virus serotype 7 capsids diffract X-rays to ∼3.0 Å resolution. The crystals belong to the rhombohedral space group R3, with unit-cell parameters a = 252.4, c = 591.2 Å in the hexagonal setting. The diffraction data were processed and reduced to an overall completeness of 79.0% and an R{sub merge} of 12.0%. There are three viral capsids in the unit cell. The icosahedral threefold axis is coincident with the crystallographic threefold axis, resulting in one third of amore » capsid (20 monomers) per crystallographic asymmetric unit. The orientation of the viral capsid has been determined by rotation-function searches and is positioned at (0, 0, 0) by packing considerations.« less

Spatial partitioning of environmental correlates of avian biodiversity in the conterminous United States

USGS Publications Warehouse

O'Connor, R.J.; Jones, M.T.; White, D.; Hunsaker, C.; Loveland, Tom; Jones, Bruce; Preston, E.

1996-01-01

Classification and regression tree (CART) analysis was used to create hierarchically organized models of the distribution of bird species richness across the conterminous United States. Species richness data were taken from the Breeding Bird Survey and were related to climatic and land use data. We used a systematic spatial grid of approximately 12,500 hexagons, each approximately 640 square kilometres in area. Within each hexagon land use was characterized by the Loveland et al. land cover classification based on Advanced Very High Resolution Radiometer (AVHRR) data from NOAA polar orbiting meteorological satellites. These data were aggregated to yield fourteen land classes equivalent to an Anderson level II coverage; urban areas were added from the Digital Chart of the World. Each hexagon was characterized by climate data and landscape pattern metrics calculated from the land cover. A CART model then related the variation in species richness across the 1162 hexagons for which bird species richness data were available to the independent variables, yielding an R2-type goodness of fit metric of 47.5% deviance explained. The resulting model recognized eleven groups of hexagons, with species richness within each group determined by unique sequences of hierarchically constrained independent variables. Within the hierarchy, climate data accounted for more variability in the bird data, followed by land cover proportion, and then pattern metrics. The model was then used to predict species richness in all 12,500 hexagons of the conterminous United States yielding a map of the distribution of these eleven classes of bird species richness as determined by the environmental correlates. The potential for using this technique to interface biogeographic theory with the hierarchy theory of ecology is discussed. ?? 1996 Blackwell Science Ltd.

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.

Automatic procedure for stable tetragonal or hexagonal structures: application to tetragonal Y and Cd

NASA Astrophysics Data System (ADS)

Marcus, P. M.; Jona, F.

2005-05-01

A simple effective procedure (MNP) for finding equilibrium tetragonal and hexagonal states under pressure is described and applied. The MNP procedure finds a path to minima of the Gibbs free energy G at T=0 K (G=E+pV, E=energy per atom, p=pressure, V=volume per atom) for tetragonal and hexagonal structures by using the approximate expansion of G in linear and quadratic strains at an arbitrary initial structure to find a change in the strains which moves toward a minimum of G. Iteration automatically proceeds to a minimum within preset convergence criteria on the calculation of the minimum. Comparison is made with experimental results for the ground states of seven metallic elements in hexagonal close-packed (hcp), face- and body-centered cubic structures, and with a previous procedure for finding minima based on tracing G along the epitaxial Bain path (EBP) to a minimum; the MNP is more easily generalized than the EBP procedure to lower symmetry and more atoms in the unit cell. Comparison is also made with a molecular-dynamics program for crystal equilibrium structures under pressure and with CRYSTAL, a program for crystal equilibrium structures at zero pressure. Application of MNP to the elements Y and Cd, which have hcp ground states at zero pressure, finds minima of E at face-centered cubic (fcc) structure for both Y and Cd. Evaluation of all the elastic constants shows that fcc Y is stable, hence a metastable phase, but fcc Cd is unstable.

EphA2 and Src regulate equatorial cell morphogenesis during lens development

PubMed Central

Cheng, Catherine; Ansari, Moham M.; Cooper, Jonathan A.; Gong, Xiaohua

2013-01-01

High refractive index and transparency of the eye lens require uniformly shaped and precisely aligned lens fiber cells. During lens development, equatorial epithelial cells undergo cell-to-cell alignment to form meridional rows of hexagonal cells. The mechanism that controls this morphogenesis from randomly packed cuboidal epithelial cells to highly organized hexagonal fiber cells remains unknown. In Epha2-/- mouse lenses, equatorial epithelial cells fail to form precisely aligned meridional rows; moreover, the lens fulcrum, where the apical tips of elongating epithelial cells constrict to form an anchor point before fiber cell differentiation and elongation at the equator, is disrupted. Phosphorylated Src-Y424 and cortactin-Y466, actin and EphA2 cluster at the vertices of wild-type hexagonal epithelial cells in organized meridional rows. However, phosphorylated Src and phosphorylated cortactin are not detected in disorganized Epha2-/- cells with altered F-actin distribution. E-cadherin junctions, which are normally located at the basal-lateral ends of equatorial epithelial cells and are diminished in newly differentiating fiber cells, become widely distributed in the apical, lateral and basal sides of epithelial cells and persist in differentiating fiber cells in Epha2-/- lenses. Src-/- equatorial epithelial cells also fail to form precisely aligned meridional rows and lens fulcrum. These results indicate that EphA2/Src signaling is essential for the formation of the lens fulcrum. EphA2 also regulates Src/cortactin/F-actin complexes at the vertices of hexagonal equatorial cells for cell-to-cell alignment. This mechanistic information explains how EphA2 mutations lead to disorganized lens cells that subsequently contribute to altered refractive index and cataracts in humans and mice. PMID:24026120

Parasol cell mosaics are unlikely to drive the formation of structured orientation maps in primary visual cortex.

PubMed

Hore, Victoria R A; Troy, John B; Eglen, Stephen J

2012-11-01

The receptive fields of on- and off-center parasol cell mosaics independently tile the retina to ensure efficient sampling of visual space. A recent theoretical model represented the on- and off-center mosaics by noisy hexagonal lattices of slightly different density. When the two lattices are overlaid, long-range Moiré interference patterns are generated. These Moiré interference patterns have been suggested to drive the formation of highly structured orientation maps in visual cortex. Here, we show that noisy hexagonal lattices do not capture the spatial statistics of parasol cell mosaics. An alternative model based upon local exclusion zones, termed as the pairwise interaction point process (PIPP) model, generates patterns that are statistically indistinguishable from parasol cell mosaics. A key difference between the PIPP model and the hexagonal lattice model is that the PIPP model does not generate Moiré interference patterns, and hence stimulated orientation maps do not show any hexagonal structure. Finally, we estimate the spatial extent of spatial correlations in parasol cell mosaics to be only 200-350 μm, far less than that required to generate Moiré interference. We conclude that parasol cell mosaics are too disordered to drive the formation of highly structured orientation maps in visual cortex.

Deterministically patterned biomimetic human iPSC-derived hepatic model via rapid 3D bioprinting

PubMed Central

Ma, Xuanyi; Qu, Xin; Zhu, Wei; Li, Yi-Shuan; Yuan, Suli; Zhang, Hong; Liu, Justin; Wang, Pengrui; Lai, Cheuk Sun Edwin; Zanella, Fabian; Feng, Gen-Sheng; Sheikh, Farah; Chien, Shu; Chen, Shaochen

2016-01-01

The functional maturation and preservation of hepatic cells derived from human induced pluripotent stem cells (hiPSCs) are essential to personalized in vitro drug screening and disease study. Major liver functions are tightly linked to the 3D assembly of hepatocytes, with the supporting cell types from both endodermal and mesodermal origins in a hexagonal lobule unit. Although there are many reports on functional 2D cell differentiation, few studies have demonstrated the in vitro maturation of hiPSC-derived hepatic progenitor cells (hiPSC-HPCs) in a 3D environment that depicts the physiologically relevant cell combination and microarchitecture. The application of rapid, digital 3D bioprinting to tissue engineering has allowed 3D patterning of multiple cell types in a predefined biomimetic manner. Here we present a 3D hydrogel-based triculture model that embeds hiPSC-HPCs with human umbilical vein endothelial cells and adipose-derived stem cells in a microscale hexagonal architecture. In comparison with 2D monolayer culture and a 3D HPC-only model, our 3D triculture model shows both phenotypic and functional enhancements in the hiPSC-HPCs over weeks of in vitro culture. Specifically, we find improved morphological organization, higher liver-specific gene expression levels, increased metabolic product secretion, and enhanced cytochrome P450 induction. The application of bioprinting technology in tissue engineering enables the development of a 3D biomimetic liver model that recapitulates the native liver module architecture and could be used for various applications such as early drug screening and disease modeling. PMID:26858399

Deterministically patterned biomimetic human iPSC-derived hepatic model via rapid 3D bioprinting.

PubMed

Ma, Xuanyi; Qu, Xin; Zhu, Wei; Li, Yi-Shuan; Yuan, Suli; Zhang, Hong; Liu, Justin; Wang, Pengrui; Lai, Cheuk Sun Edwin; Zanella, Fabian; Feng, Gen-Sheng; Sheikh, Farah; Chien, Shu; Chen, Shaochen

2016-02-23

The functional maturation and preservation of hepatic cells derived from human induced pluripotent stem cells (hiPSCs) are essential to personalized in vitro drug screening and disease study. Major liver functions are tightly linked to the 3D assembly of hepatocytes, with the supporting cell types from both endodermal and mesodermal origins in a hexagonal lobule unit. Although there are many reports on functional 2D cell differentiation, few studies have demonstrated the in vitro maturation of hiPSC-derived hepatic progenitor cells (hiPSC-HPCs) in a 3D environment that depicts the physiologically relevant cell combination and microarchitecture. The application of rapid, digital 3D bioprinting to tissue engineering has allowed 3D patterning of multiple cell types in a predefined biomimetic manner. Here we present a 3D hydrogel-based triculture model that embeds hiPSC-HPCs with human umbilical vein endothelial cells and adipose-derived stem cells in a microscale hexagonal architecture. In comparison with 2D monolayer culture and a 3D HPC-only model, our 3D triculture model shows both phenotypic and functional enhancements in the hiPSC-HPCs over weeks of in vitro culture. Specifically, we find improved morphological organization, higher liver-specific gene expression levels, increased metabolic product secretion, and enhanced cytochrome P450 induction. The application of bioprinting technology in tissue engineering enables the development of a 3D biomimetic liver model that recapitulates the native liver module architecture and could be used for various applications such as early drug screening and disease modeling.

Bottom-up construction of a superstructure in a porous uranium-organic crystal

NASA Astrophysics Data System (ADS)

Li, Peng; Vermeulen, Nicolaas A.; Malliakas, Christos D.; Gómez-Gualdrón, Diego A.; Howarth, Ashlee J.; Mehdi, B. Layla; Dohnalkova, Alice; Browning, Nigel D.; O'Keeffe, Michael; Farha, Omar K.

2017-05-01

Bottom-up construction of highly intricate structures from simple building blocks remains one of the most difficult challenges in chemistry. We report a structurally complex, mesoporous uranium-based metal-organic framework (MOF) made from simple starting components. The structure comprises 10 uranium nodes and seven tricarboxylate ligands (both crystallographically nonequivalent), resulting in a 173.3-angstrom cubic unit cell enclosing 816 uranium nodes and 816 organic linkers—the largest unit cell found to date for any nonbiological material. The cuboctahedra organize into pentagonal and hexagonal prismatic secondary structures, which then form tetrahedral and diamond quaternary topologies with unprecedented complexity. This packing results in the formation of colossal icosidodecahedral and rectified hexakaidecahedral cavities with internal diameters of 5.0 nanometers and 6.2 nanometers, respectively—ultimately giving rise to the lowest-density MOF reported to date.

Electronic properties of two-dimensional zinc oxide in hexagonal, (4,4)-tetragonal, and (4,8)-tetragonal structures by using Hybrid Functional calculation

NASA Astrophysics Data System (ADS)

Supatutkul, C.; Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.

2017-09-01

This work reports the structures and electronic properties of two-dimensional (2D) ZnO in hexagonal, (4,8)-tetragonal, and (4,4)-tetragonal monolayer using GGA and HSE-hybrid functional. The calculated results show that the band gaps of 2D ZnO sheets are wider than those of the bulk ZnO. The hexagonal and (4,8)-tetragonal phases yield direct band gaps, which are 4.20 eV, and 4.59 eV respectively, while the (4,4)-tetragonal structure has an indirect band gap of 3.02 eV. The shrunken Zn-O bond lengths in the hexagonal and (4,8)-tetragonal indicate that they become more ionic in comparison with the bulk ZnO. In addition, the hexagonal ZnO sheet is the most energetically favourable. The total energy differences of (4,8)-tetragonal and (4,4)-tetragonal sheets from that of hexagonal monolayer (per formula unit) are 197 meV and 318 meV respectively.

Demonstration of the feasibility of automated silicon solar cell fabrication

NASA Technical Reports Server (NTRS)

Thornhill, J. W.; Taylor, W. E.

1976-01-01

An analysis of estimated costs indicate that for an annual output of 4,747,000 hexagonal cells (38 mm. on a side) a total factory cost of $0.866 per cell could be achieved. For cells with 14% efficiency at AMO intensity (1353 watts per square meter), this annual production rate is equivalent to 3,373 kilowatts and a manufacturing cost of $1.22 per watt of electrical output. A laboratory model of such a facility was operated to produce a series of demonstration runs, producing hexagonal cells, 2 x 2 cm cells and 2 x 4 cm cells.

Exchange interaction in hexagonal MnRhP from first-principles studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, X. B., E-mail: liuxubo@uta.edu; Zhang, Qiming; Ping Liu, J., E-mail: pliu@uta.edu

2014-05-07

Electronic structure and magnetic properties for MnRhP have been studied from a first-principles density functional calculation. The calculated lattice constants, a = 6.228 Å and c = 3.571 Å, are in good agreement with the experimental values of a = 6.223 Å and c = 3.585 Å. The calculated moment of Mn is 3.1 μ{sub B}/atom, resulting in a total moment of 3.0 μ{sub B}/atom due to small moments induced at Rh and P sites. The magnetic moment of Mn decreases with unit cell size. The exchange interactions are dominated by positive Mn-Mn exchange coupling (J{sub Mn−Mn}), implying a stable ferromagnetic ordering in Mn sublattice. In particular, J{sub Mn−Mn} showsmore » a maximum value (1.5 mRy) at the the optimized unit cell size. The structural distortion or unit cell size change will affect J{sub Mn−Mn}, which is intimately related to the magneto-elastic and magneto-caloric effect.« less

Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

NASA Astrophysics Data System (ADS)

Frentrup, Martin; Hatui, Nirupam; Wernicke, Tim; Stellmach, Joachim; Bhattacharya, Arnab; Kneissl, Michael

2013-12-01

In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances dhkl is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112¯2) AlκGa1-κN epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

Optic phonons and anisotropic thermal conductivity in hexagonal Ge 2Sb 2Te 5

DOE PAGES

Mukhopadhyay, Saikat; Lindsay, Lucas R.; Singh, David

2016-11-16

The lattice thermal conductivity ($κ$) of hexagonal Ge 2Sb 2Tesub>5 (h-GST) is studied via direct first-principles calculations. We find significant intrinsic anisotropy of ( $κ$ a/$κ$ c~2) of $κ$ in bulk h-GST along different transport directions. The dominant contribution to$κ$ is from optic phonons, ~75%. This is extremely unusual as the acoustic phonon modes carry most of the heat in typical semiconductors and insulators with small unit cells. Very recently, Lee et. al. observed anisotropic in GST thin films and attributed this to thermal resistance of amorphous regions near grain boundaries. However, our results suggest an additional strong intrinsic anisotropymore » for the pure hexagonal phase. This derives from bonding anisotropy along different crystal directions, specifically from weak interlayer coupling, which gives anisotropic phonon dispersions. The phonon spectrum of h-GST has very dispersive optic branches with higher group velocities along the a-axis as compared to flat optic bands along the c-axis. The importance of optic mode contributions for the thermal conductivity in low-$κ$ h-GST is unusual, and development of fundamental physical understanding of these contributions may be critical to better understanding of thermal conduction in other complex layered materials.« less

Production, purification, crystallization and preliminary X-ray analysis of adeno-associated virus serotype 8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lane, Michael Douglas; Nam, Hyun-Joo; Padron, Eric

2005-06-01

The production, purification, crystallization and preliminary X-ray crystallographic analysis of adeno-associated virus serotype 8 is reported. Adeno-associated viruses (AAVs) are actively being developed for clinical gene-therapy applications and the efficiencies of the vectors could be significantly improved by a detailed understanding of their viral capsid structures and the structural determinants of their tissue-transduction interactions. AAV8 is ∼80% identical to the more widely studied AAV2, but its liver-transduction efficiency is significantly greater than that of AAV2 and other serotypes. The production, purification, crystallization and preliminary X-ray crystallographic analysis of AAV8 viral capsids are reported. The crystals diffract X-rays to 3.0 Åmore » resolution using synchrotron radiation and belong to the hexagonal space group P6{sub 3}22, with unit-cell parameters a = 257.5, c = 443.5 Å. The unit cell contains two viral particles, with ten capsid viral protein monomers per crystallographic asymmetric unit.« less

Multi-port power router and its impact on resilient power grid systems

NASA Astrophysics Data System (ADS)

Kado, Yuichi; Iwatsuki, Katsumi; Wada, Keiji

2016-02-01

We propose a Y-configuration power router as a unit cell to easily construct a power delivery system that can meet many types of user requirements. The Y-configuration power router controls the direction and magnitude of power flow among three ports regardless of DC and AC. We constructed a prototype three-way isolated DC/DC converter that is the core unit of the Y-configuration power router and tested the power flow control operation. Experimental results revealed that our methodology based on the governing equation was appropriate for the power flow control of the three-way DC/DC converter. In addition, the hexagonal distribution network composed of the power routers has the ability to easily interchange electric power between autonomous microgrid cells. We also explored the requirements for communication between energy routers to achieve dynamic adjustments of energy flow in a coordinated manner and its impact on resilient power grid systems.

Bottom-up construction of a superstructure in a porous uranium-organic crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Peng; Vermeulen, Nicolaas A.; Malliakas, Christos D.

Bottom-up construction of highly intricate structures from simple building blocks remains one of the most difficult challenges in chemistry. We report a structurally complex, mesoporous uranium-based metal-organic framework (MOF) made from simple starting components. The structure comprises 10 uranium nodes and seven tricarboxylate ligands (both crystallographically nonequivalent), resulting in a 173.3-angstrom cubic unit cell enclosing 816 uranium nodes and 816 organic linkers—the largest unit cell found to date for any nonbiological material. The cuboctahedra organize into pentagonal and hexagonal prismatic secondary structures, which then form tetrahedral and diamond quaternary topologies with unprecedented complexity. This packing results in the formation ofmore » colossal icosidodecahedral and rectified hexakaidecahedral cavities with internal diameters of 5.0 nanometers and 6.2 nanometers, respectively—ultimately giving rise to the lowest-density MOF reported to date.« less

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

PubMed Central

Ginn, Helen Mary; Roedig, Philip; Kuo, Anling; Evans, Gwyndaf; Sauter, Nicholas K.; Ernst, Oliver; Meents, Alke; Mueller-Werkmeister, Henrike; Miller, R. J. Dwayne; Stuart, David Ian

2016-01-01

The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallo­graphy experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image. PMID:27487826

AAuAl (A = Ca, Sc, and Ti): Peierls Distortion, Atomic Coloring, and Structural Competition

DOE PAGES

Pham, Joyce; Miller, Gordon J.

2018-04-02

Using density functional theory, the crystal structure variation of AAuAl (A = Ca, Sc, and Ti) from orthorhombic Co 2Si-type to distorted hexagonal Fe 2P-type and then Ni 2In-type structures is shown to correlate with their electronic structures and valence electron counts, sizes of the active metals A, and site preferences for Au and Al atoms, which are arranged to maximize Au–Al nearest neighbor contacts. An evaluation of chemical pressure imposed by the varying A metals using total energy vs volume calculations indicates that larger unit cell volumes favor the orthorhombic structure, whereas smaller volumes favor the hexagonal structures. Themore » electronic origin of the Mg 2Ga-type crystal structure of ScAuAl, refined as a distorted Fe 2P-type supercell doubled along the c-axis, indicates a Peierls-type distortion mechanism of the Au chains along the c-axis.« less

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

DOE PAGES

Ginn, Helen Mary; Roedig, Philip; Kuo, Anling; ...

2016-08-01

The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallography experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and spacemore » group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image.« less

AAuAl (A = Ca, Sc, and Ti): Peierls Distortion, Atomic Coloring, and Structural Competition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pham, Joyce; Miller, Gordon J.

Using density functional theory, the crystal structure variation of AAuAl (A = Ca, Sc, and Ti) from orthorhombic Co 2Si-type to distorted hexagonal Fe 2P-type and then Ni 2In-type structures is shown to correlate with their electronic structures and valence electron counts, sizes of the active metals A, and site preferences for Au and Al atoms, which are arranged to maximize Au–Al nearest neighbor contacts. An evaluation of chemical pressure imposed by the varying A metals using total energy vs volume calculations indicates that larger unit cell volumes favor the orthorhombic structure, whereas smaller volumes favor the hexagonal structures. Themore » electronic origin of the Mg 2Ga-type crystal structure of ScAuAl, refined as a distorted Fe 2P-type supercell doubled along the c-axis, indicates a Peierls-type distortion mechanism of the Au chains along the c-axis.« less

Spectroscopic Signatures for Interlayer Coupling in MoS2-WSe2 van der Waals Stacking

DTIC Science & Technology

2014-09-07

theory (DFPT) calculations were carried out using the plane wave code CASTEP as implemented in the Materials Studio package .38 A hexagonal unit cell...transition metal dichalcogenide (TMD) monolayers. The layer-number sensitive Raman out -of-plane mode A2 1g for WSe2 (309 cm1) is found sensitive to the...Raman out -of-plane mode A2 1g for WSe2 (309 cm1) is found sensitive to the coupling between two TMD monolayers. The presence of interlayer excitonic

Thermal phase transition behavior of lipid layers on a single human corneocyte cell.

PubMed

Imai, Tomohiro; Nakazawa, Hiromitsu; Kato, Satoru

2013-09-01

We have improved the selected area electron diffraction method to analyze the dynamic structural change in a single corneocyte cell non-invasively stripped off from human skin surface. The improved method made it possible to obtain reliable diffraction images to trace the structural change in the intercellular lipid layers on a single corneocyte cell during heating from 24°C to 100°C. Comparison of the results with those of synchrotron X-ray diffraction experiments on human stratum corneum sheets revealed that the intercellular lipid layers on a corneocyte cell exhibit essentially the same thermal phase transitions as those in a stratum corneum sheet. These results suggest that the structural features of the lipid layers are well preserved after the mechanical stripping of the corneocyte cell. Moreover, electron diffraction analyses of the thermal phase transition behaviors of the corneocyte cells that had the lipid layers with different distributions of orthorhombic and hexagonal domains at 24°C suggested that small orthorhombic domains interconnected with surrounding hexagonal domains transforms in a continuous manner into new hexagonal domains. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

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, and 120deg to the original horizontal coordinate axis. The net result is that one has checked for line segments at angular intervals of 30deg. For even finer angular resolution, one could, for example, then rotate the rectangular-grid image +/-45deg before sampling to perform checking for line segments at angular intervals of 15deg.

Honeycomb Geometry: Applied Mathematics in Nature.

ERIC Educational Resources Information Center

Roberts, William J.

1984-01-01

Study and exploration of the hexagonal shapes found in honeycombs is suggested as an interesting topic for geometry classes. Students learn that the hexagonal pattern maximizes the enclosed region and minimizes the wax needed for construction, while satisfying the bees' cell-size constraint. (MNS)

Resistance to alveolar shape change limits range of force propagation in lung parenchyma.

PubMed

Ma, Baoshun; Smith, Bradford J; Bates, Jason H T

2015-06-01

We have recently shown that if the lung parenchyma is modeled in 2 dimensions as a network of springs arranged in a pattern of repeating hexagonal cells, the distortional forces around a contracting airway propagate much further from the airway wall than classic continuum theory predicts. In the present study we tested the hypothesis that this occurs because of the negligible shear modulus of a hexagonal spring network. We simulated the narrowing of an airway embedded in a hexagonal network of elastic alveolar walls when the hexagonal cells of the network offered some resistance to a change in shape. We found that as the forces resisting shape change approach about 10% of the forces resisting length change of an individual spring the range of distortional force propagation in the spring network fell of rapidly as in an elastic continuum. We repeated these investigations in a 3-dimensional spring network composed of space-filling polyhedral cells and found similar results. This suggests that force propagation away from a point of local parenchymal distortion also falls off rapidly in real lung tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

Reprogramming hMSCs morphology with silicon/porous silicon geometric micro-patterns.

PubMed

Ynsa, M D; Dang, Z Y; Manso-Silvan, M; Song, J; Azimi, S; Wu, J F; Liang, H D; Torres-Costa, V; Punzon-Quijorna, E; Breese, M B H; Garcia-Ruiz, J P

2014-04-01

Geometric micro-patterned surfaces of silicon combined with porous silicon (Si/PSi) have been manufactured to study the behaviour of human Mesenchymal Stem Cells (hMSCs). These micro-patterns consist of regular silicon hexagons surrounded by spaced columns of silicon equilateral triangles separated by PSi. The results show that, at an early culture stage, the hMSCs resemble quiescent cells on the central hexagons with centered nuclei and actin/β-catenin and a microtubules network denoting cell adhesion. After 2 days, hMSCs adapted their morphology and cytoskeleton proteins from cell-cell dominant interactions at the center of the hexagonal surface. This was followed by an intermediate zone with some external actin fibres/β-catenin interactions and an outer zone where the dominant interactions are cell-silicon. Cells move into silicon columns to divide, migrate and communicate. Furthermore, results show that Runx2 and vitamin D receptors, both specific transcription factors for skeleton-derived cells, are expressed in cells grown on micropatterned silicon under all observed circumstances. On the other hand, non-phenotypic alterations are under cell growth and migration on Si/PSi substrates. The former consideration strongly supports the use of micro-patterned silicon surfaces to address pending questions about the mechanisms of human bone biogenesis/pathogenesis and the study of bone scaffolds.

Structural properties of ultrafine Ba-hexaferrite nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makovec, Darko, E-mail: Darko.Makovec@ijs.si; Primc, Darinka; Sturm, Saso

2012-12-15

Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was studied using X-ray diffractometry (XRD), high-resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDXS), X-ray absorption fine structure (XAFS), and Moessbauer spectroscopy (MS), to be compared to the structure of larger nanoparticles and the bulk. The nanoparticles were synthesized with hydrothermal treatment of an appropriate suspension of Ba and Fe hydroxides in the presence of a large excess of OH{sup -}. The ultrafine nanoparticles were formed in a discoid shape, {approx}10 nm wide and only {approx}3 nm thick, comparable to the size of the hexagonal unit cell in the c-direction.more » The HRTEM image analysis confirmed the hexaferrite structure, whereas EDXS showed the composition matching the BaFe{sub 12}O{sub 19} formula. XAFS and MS analyses showed considerable disorder of the structure, most probably responsible for the low magnetization. - Graphical abstract: Left: HREM image of an ultrafine Ba-hexaferrite nanoparticle (inset: TEM image of the nanoparticles); Right: the experimental HRTEM image is compared with calculated image and corresponding atomic model. Highlights: Black-Right-Pointing-Pointer Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was compared to the structure of the bulk. Black-Right-Pointing-Pointer Thickness the discoid nanoparticles was comparable to the size of the hexagonal unit cell in the c-direction. Black-Right-Pointing-Pointer Considerable disorder of the nanoparticles' structure is most probably responsible for their low magnetization.« less

Crystal growth of incommensurate members of 2H-hexagonal perovskite related oxides: Ba{sub 4}M{sub z}Pt{sub 3−z}O{sub 9} (M=Co, Ni, Cu, Zn, Mg, Pt)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferreira, Timothy; Morrison, Gregory; Yeon, Jeongho

2016-04-15

Millimeter sized crystals of six oxides of approximate composition Ba{sub 4}M{sub z}Pt{sub 3-z}O{sub 9} (M=Co, Ni, Cu, Zn, Mg, Pt) were grown from molten K{sub 2}CO{sub 3} fluxes and found to crystallize in a 2H hexagonal perovskite-related structure type. The compositions of these incommensurate structures, which belong to the A{sub 3n+3m}A′{sub n}B{sub 3m+n}O{sub 9m+6n} family of 2H hexagonal perovskite related oxides, were characterized by X-ray diffraction, energy dispersive spectroscopy, and magnetic susceptibility measurements. The specific synthetic considerations, crystal growth conditions, and magnetic susceptibility measurements are discussed. - Graphical abstract: SEM image and average commensurate unit cell of Ba{sub 4}Pt{sub 3}O{submore » 9.} - Highlights: • Single crystals of the series Ba{sub 4}A′{sub z}Pt{sub 3-z}O{sub 9} were grown via a molten carbonate flux. • Ba{sub 4}Pt{sub 3}O{sub 9} and all substitutional variants are incommensurate, composite structures. • All compounds have an approximate stoichiometry of Ba{sub 4}A′Pt{sub 2}O{sub 9.}.« less

A Solar Volumetric Receiver: Influence of Absorbing Cells Configuration on Device Thermal Performance

NASA Astrophysics Data System (ADS)

Yilbas, B. S.; Shuja, S. Z.

2017-01-01

Thermal performance of a solar volumetric receiver incorporating the different cell geometric configurations is investigated. Triangular, hexagonal, and rectangular absorbing cells are incorporated in the analysis. The fluid volume fraction, which is the ratio of the volume of the working fluid over the total volume of solar volumetric receiver, is introduced to assess the effect of cell size on the heat transfer rates in the receiver. In this case, reducing the fluid volume fraction corresponds to increasing cell size in the receiver. SiC is considered as the cell material, and air is used as the working fluid in the receiver. The Lambert's Beer law is incorporated to account for the solar absorption in the receiver. A finite element method is used to solve the governing equation of flow and heat transfer. It is found that the fluid volume fraction has significant effect on the flow field in the solar volumetric receiver, which also modifies thermal field in the working fluid. The triangular absorbing cell gives rise to improved effectiveness of the receiver and then follows the hexagonal and rectangular cells. The second law efficiency of the receiver remains high when hexagonal cells are used. This occurs for the fluid volume fraction ratio of 0.5.

Survival and failure modes: platform-switching for internal and external hexagon cemented fixed dental prostheses.

PubMed

Anchieta, Rodolfo B; Machado, Lucas S; Hirata, Ronaldo; Coelho, Paulo G; Bonfante, Estevam A

2016-10-01

This study evaluated the probability of survival (reliability) of platform-switched fixed dental prostheses (FDPs) cemented on different implant-abutment connection designs. Eighty-four-three-unit FDPs (molar pontic) were cemented on abutments connected to two implants of external or internal hexagon connection. Four groups (n = 21 each) were established: external hexagon connection and regular platform (ERC); external hexagon connection and switched platform (ESC); internal hexagon and regular platform (IRC); and internal hexagon and switched platform (ISC). Prostheses were subjected to step-stress accelerated life testing in water. Weibull curves and probability of survival for a mission of 100,000 cycles at 400 N (two-sided 90% CI) were calculated. The beta values of 0.22, 0.48, 0.50, and 1.25 for groups ERC, ESC, IRC, and ISC, respectively, indicated a limited role of fatigue in damage accumulation, except for group ISC. Survival decreased for both platform-switched groups (ESC: 74%, and ISC: 59%) compared with the regular matching platform counterparts (ERC: 95%, and IRC: 98%). Characteristic strength was higher only for ERC compared with ESC, but not different between internal connections. Failures chiefly involved the abutment screw. Platform switching decreased the probability of survival of FDPs on both external and internal connections. The absence in loss of characteristic strength observed in internal hexagon connections favor their use compared with platform-switched external hexagon connections. © 2016 Eur J Oral Sci.

Variable-Size Bead Layer as Standard Reference for Endothelial Microscopes.

PubMed

Tufo, Simona; Prazzoli, Erica; Ferraro, Lorenzo; Cozza, Federica; Borghesi, Alessandro; Tavazzi, Silvia

2017-02-01

For morphometric analysis of the cell mosaic of corneal endothelium, checking accuracy and precision of instrumentation is a key step. In this study, a standard reference sample is proposed, developed to reproduce the cornea with its shape and the endothelium with its intrinsic variability in the cell size. A polystyrene bead layer (representing the endothelium) was deposited on a lens (representing the cornea). Bead diameters were 20, 25, and 30 μm (fractions in number 55%, 30%, and 15%, respectively). Bead density and hexagonality were simulated to obtain the expected true values and measured using a slit-lamp endothelial microscope applied to 1) a Takagi 700GL slit lamp at 40× magnification (recommended standard setup) and 2) a Takagi 2ZL slit lamp at 25× magnification. The simulation provided the expected bead density 2001 mm and hexagonality 47%. At 40×, density and hexagonality were measured to be 2009 mm (SD 93 mm) and 45% (SD 3%). At 25× on a different slit lamp, the comparison between measured and expected densities provided the factor 1.526 to resize the image and to use the current algorithms of the slit-lamp endothelial microscope for cell recognition. A variable-size polystyrene bead layer on a lens is proposed as a standard sample mimicking the real shape of the cornea and the variability of cell size and cell arrangement of corneal endothelium. The sample is suggested to evaluate accuracy and precision of cell density and hexagonality obtained by different endothelial microscopes, including a slit-lamp endothelial microscope applied to different slit lamps, also at different magnifications.

Changes in the cornea related to sickle cell disease: a pilot investigation.

PubMed

Coşkun, Mesut; İlhan, Özgür; İlhan, Nilüfer; Tuzcu, Esra Ayhan; Daglioğlu, Mutlu Cihan; Kahraman, Hilal; Elbeyli, Ahmet; Yarbağ, Abdulhekim; Helvaci, Mehmet Rami

2015-01-01

To investigate corneal structural changes (central corneal thickness, endothelial cell count, and cellular morphology) in patients with sickle cell disease (SCD). This prospective study included 56 patients with SCD and 50 age- and sex-matched healthy subjects without any eye disease aside from refractive errors. Endothelial cell density (ECD), percentage of hexagonality, and the coefficient of variation in cell size (CV) were measured using noncontact specular microscopy, and central corneal thickness (CCT) was measured by pachymetry. The mean CCT value was 509.6 ± 20.7 μm in the study group and 520.8 ± 23.6 μm in the control group. The mean ECD, CV, and percentage of hexagonality values in the study group were 2712 ± 335 cells/mm², 34.5 ± 5.3%, and 57.2 ± 6.6%, respectively, and 3030 ± 247 cells/mm², 31.6 ± 5.0%, and 60.4 ± 6.9% in the control group, respectively. Endothelial cell density (p = 0.001), CCT (p = 0.011), CV (p = 0.005), and percentage of hexagonality values (p = 0.018) were significantly different between the study and control groups. The results of the current study indicate that patients with SCD had considerable morphologic changes in the structure of the cornea when compared to healthy subjects.

[Plasma temperature of white-eye hexagonal pattern in dielectric barrier discharge].

PubMed

Zhao, Yang; Dong, Li-fang; Fu, Hong-yan

2015-01-01

By using the water-electrode discharge experimental setup, the white-eye hexagonal pattern is firstly observed and investigated in the dielectric barrier discharge with the mixture of argon and air whose content can be varied whenever necessary, and the study shows that the white-eye cell is an interleaving of three different hexagonal sub-structures: the spot, the ring, and the halo. The white-eye hexagonal pattern has the excellent discharge stability and sustainability during the experiment. Pictures recorded by ordinary camera with long exposure time in the same argon content condition show that the spot, the ring, and the halo of the white-eye hexagonal pattern have different brightness, which may prove that their plasma states are different. And, it is worth noting that there are obvious differences not only on the brightness but also on the color of the white-eye cell in conditions of different argon content, which shows that its plasma state also changed with the variation of the argon content. The white-eye hexagonal pattern is observed at a lower applied voltage so that the temperature of the water electrodes almost keeps unchanged during the whole experiment, which is advantageous for the long term stable measurement. The plasma state will not be affected by the temperature of the electrodes during the continuous discharge. Based on the above phenomena, plasma temperatures of the spot, the ring, and the halo in white-eye hexagonal pattern including molecule vibrational temperature and variations of electron density at different argon content are investigated by means of optical emission spectroscopy (OES). The emission spectra of the N2 second positive band(C3Πu-->B3Πg)are measured, and the molecule vibrational temperature of the spot, the ring, and the halo of the white-eye hexagonal pattern are calculated by the emission intensities. Furthermore, emission spectra of Ar I (2P2-->1S5)is collected and the changes of its width with different argon content are used to estimate the variations of electron density of the spot, the ring, and the halo of the white-eye hexagonal pattern. In the same argon content condition, the molecule vibrational temperatures of halo, ring, and spot in the white-eye hexagonal pattern are in descending order, while the electron densities of halo, ring, and spot are in ascending order. With argon content increasing from 70% to 90%, both the molecule vibrational temperature and the electron density of the spot increase, while both of them of the halo decrease. And the molecule vibrational temperature of the ring keeps constant, while its electron density decreases. The experimental results indicate that the plasma state of the spot, the halo and the ring in a white-eye cell of the white-eye hexagonal pattern is different. These results are of great importance to the investigation of the multilayer structure of the patterns in dielectric barrier discharge and applications in industry.

COMGEN - A PROGRAM FOR GENERATING FINITE ELEMENT MODELS OF COMPOSITE MATERIALS AT THE MICRO LEVEL (SGI IRIS VERSION)

NASA Technical Reports Server (NTRS)

Melis, M. E.

1994-01-01

A significant percentage of time spent in a typical finite element analysis is taken up in the modeling and assignment of loads and constraints. This process not only requires the analyst to be well-versed in the art of finite element modeling, but also demands familiarity with some sort of preprocessing software in order to complete the task expediently. COMGEN (COmposite Model GENerator) is an interactive FORTRAN program which can be used to create a wide variety of finite element models of continuous fiber composite materials at the micro level. It quickly generates batch or "session files" to be submitted to the finite element pre- and post-processor program, PATRAN. (PDA Engineering, Costa Mesa, CA.) In modeling a composite material, COMGEN assumes that its constituents can be represented by a "unit cell" of a fiber surrounded by matrix material. Two basic cell types are available. The first is a square packing arrangement where the fiber is positioned in the center of a square matrix cell. The second type, hexagonal packing, has the fiber centered in a hexagonal matrix cell. Different models can be created using combinations of square and hexagonal packing schemes. Variations include two- and three- dimensional cases, models with a fiber-matrix interface, and different constructions of unit cells. User inputs include fiber diameter and percent fiber-volume of the composite to be analyzed. In addition, various mesh densities, boundary conditions, and loads can be assigned to the models within COMGEN. The PATRAN program then uses a COMGEN session file to generate finite element models and their associated loads which can then be translated to virtually any finite element analysis code such as NASTRAN or MARC. COMGEN is written in FORTRAN 77 and has been implemented on DEC VAX series computers under VMS and SGI IRIS series workstations under IRIX. If the user has the PATRAN package available, the output can be graphically displayed. Without PATRAN, the output is tabular. The VAX VMS version is available on a 5.25 inch 360K MS-DOS format diskette (standard distribution media) or a 9-track 1600 BPI DEC VAX FILES-11 format magnetic tape, and it requires about 124K of main memory. The standard distribution media for the IRIS version is a .25 inch streaming magnetic tape cartridge in UNIX tar format. The memory requirement for the IRIS version is 627K. COMGEN was developed in 1990. DEC, VAX and VMS are trademarks of Digital Equipment Corporation. PATRAN is a registered trademark of PDA Engineering. SGI IRIS and IRIX are trademarks of Silicon Graphics, Inc. MS-DOS is a registered trademark of Microsoft Corporation. UNIX is a registered trademark of AT&T.

How Escherichia coli lands and forms cell clusters on a surface: a new role of surface topography

PubMed Central

Gu, Huan; Chen, Aaron; Song, Xinran; Brasch, Megan E.; Henderson, James H.; Ren, Dacheng

2016-01-01

Bacterial response to surface topography during biofilm formation was studied using 5 μm tall line patterns of poly (dimethylsiloxane) (PDMS). Escherichia coli cells attached on top of protruding line patterns were found to align more perpendicularly to the orientation of line patterns when the pattern narrowed. Consistently, cell cluster formation per unit area on 5 μm wide line patterns was reduced by 14-fold compared to flat PDMS. Contrasting the reduced colony formation, cells attached on narrow patterns were longer and had higher transcriptional activities, suggesting that such unfavorable topography may present a stress to attached cells. Results of mutant studies indicate that flagellar motility is involved in the observed preference in cell orientation on narrow patterns, which was corroborated by the changes in cell rotation pattern before settling on different surface topographies. These findings led to a set of new design principles for creating antifouling topographies, which was validated using 10 μm tall hexagonal patterns. PMID:27412365

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.

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.

Rhombic organization of microvilli domains found in a cell model of the human intestine

PubMed Central

Grünebaum, Jonas; Schäfer, Marcus; Mulac, Dennis; Rehfeldt, Florian; Langer, Klaus; Kramer, Armin; Riethmüller, Christoph

2018-01-01

Symmetry is rarely found on cellular surfaces. An exception is the brush border of microvilli, which are essential for the proper function of transport epithelia. In a healthy intestine, they appear densely packed as a 2D-hexagonal lattice. For in vitro testing of intestinal transport the cell line Caco-2 has been established. As reported by electron microscopy, their microvilli arrange primarily in clusters developing secondly into a 2D-hexagonal lattice. Here, atomic force microscopy (AFM) was employed under aqueous buffer conditions on Caco-2 cells, which were cultivated on permeable filter membranes for optimum differentiation. For analysis, the exact position of each microvillus was detected by computer vision; subsequent Fourier transformation yielded the type of 2D-lattice. It was confirmed, that Caco-2 cells can build a hexagonal lattice of microvilli and form clusters. Moreover, a second type of arrangement was discovered, namely a rhombic lattice, which appeared at sub-maximal densities of microvilli with (29 ± 4) microvilli / μm2. Altogether, the findings indicate the existence of a yet undescribed pattern in cellular organization. PMID:29320535

Crystallization and preliminary crystallographic study of 3 alpha, 20 beta-hydroxysteroid dehydrogenase from Streptomyces hydrogenans.

PubMed

Fitzgerald, P M; Duax, W L; Punzi, J S; Orr, J C

1984-05-15

3 alpha, 20 beta-Hydroxysteroid dehydrogenase, an NADH-dependent oxidoreductase isolated from Streptomyces hydrogenans , is a tetramer containing four subunits each of Mr 25,000. The enzyme has been crystallized by the vapor diffusion technique using either phosphate or borate buffered ammonium sulfate (pH between 6.0 and 8.7) as the precipitant. The crystals are hexagonal bipyramids ; they have the symmetry of space group P6(4)22 (or P6(2)22), with unit cell dimensions a = 127.3 A, c = 112.2 A. Volume and density considerations imply that the crystallographic asymmetric unit contains two monomers, and therefore that the tetramer possesses a 2-fold axis of symmetry that is coincident with a crystallographic 2-fold symmetry element.

Tilted hexagonal post arrays: DNA electrophoresis in anisotropic media

PubMed Central

Chen, Zhen; Dorfman, Kevin D.

2013-01-01

Using Brownian dynamics simulations, we show that DNA electrophoresis in a hexagonal array of micron-sized posts changes qualitatively when the applied electric field vector is not coincident with the lattice vectors of the array. DNA electrophoresis in such “tilted” post arrays is superior to the standard “un-tilted” approach; while the time required to achieve a resolution of unity in a tilted post array is similar to an un-tilted array at a low electric field strengths, this time (i) decreases exponentially with electric field strength in a tilted array and (ii) increases exponentially with electric field strength in an un-tilted array. Although the DNA dynamics in a post array are complicated, the electrophoretic mobility results indicate that the “free path”, i.e., the average distance of ballistic trajectories of point sized particles launched from random positions in the unit cell until they intersect the next post, is a useful proxy for the detailed DNA trajectories. The analysis of the free path reveals a fundamental connection between anisotropy of the medium and DNA transport therein that goes beyond simply improving the separation device. PMID:23868490

Master-slave mixed arrays for data-flow computations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, T.L.; Fisher, P.D.

1983-01-01

Control cells (masters) and computation cells (slaves) are mixed in regular geometric patterns to form reconfigurable arrays known as master-slave mixed arrays (MSMAS). Interconnections of the corners and edges of the hexagonal control cells and the edges of the hexagonal computation cells are used to construct synchronous and asynchronous communication networks, which support local computation and local communication. Data-driven computations result in self-directed ring pipelines within the MSMA, and composite data-flow computations are executed in a pipelined fashion. By viewing an MSMA as a computing network of tightly-linked ring pipelines, data-flow programs can be uniformly distributed over these pipelines formore » efficient resource utilisation. 9 references.« less

Development and Testing of Shingle-type Solar Cell Modules

NASA Technical Reports Server (NTRS)

Shepard, N. F., Jr.

1979-01-01

The design, development, fabrication and testing of a shingle-type terrestrial solar cell module which produces 98 watts/sq m of exposed module area at 1 kW/sq m insolation and 61 C are reported. These modules make it possible to easily incorporate photovoltaic power generation into the sloping roofs of residential or commercial buildings by simply nailing the modules to the plywood roof sheathing. This design consists of nineteen series-connected 53 mm diameter solar cells arranged in a closely packed hexagon configuration. These cells are individually bonded to the embossed surface of a 3 mm thick thermally tempered hexagon-shaped piece of glass. Polyvinyl butyral is used as the laminating adhesive.

Self-assembly of dendronized perylene bisimides into complex helical columns.

PubMed

Percec, Virgil; Peterca, Mihai; Tadjiev, Timur; Zeng, Xiangbing; Ungar, Goran; Leowanawat, Pawaret; Aqad, Emad; Imam, Mohammad R; Rosen, Brad M; Akbey, Umit; Graf, Robert; Sekharan, Sivakumar; Sebastiani, Daniel; Spiess, Hans W; Heiney, Paul A; Hudson, Steven D

2011-08-10

The synthesis of perylene 3,4:9,10-tetracarboxylic acid bisimides (PBIs) dendronized with first-generation dendrons containing 0 to 4 methylenic units (m) between the imide group and the dendron, (3,4,5)12G1-m-PBI, is reported. Structural analysis of their self-organized arrays by DSC, X-ray diffraction, molecular modeling, and solid-state (1)H NMR was carried out on oriented samples with heating and cooling rates of 20 to 0.2 °C/min. At high temperature, (3,4,5)12G1-m-PBI self-assemble into 2D-hexagonal columnar phases with intracolumnar order. At low temperature, they form orthorhombic (m = 0, 2, 3, 4) and monoclinic (m = 1) columnar arrays with 3D periodicity. The orthorhombic phase has symmetry close to hexagonal. For m = 0, 2, 3, 4 ,they consist of tetramers as basic units. The tetramers contain a pair of two molecules arranged side by side and another pair in the next stratum of the column, turned upside-down and rotated around the column axis at different angles for different m. In contrast, for m = 1, there is only one molecule in each stratum, with a four-strata 2(1) helical repeat. All molecules face up in one column, and down in the second column, of the monoclinic cell. This allows close and extended π-stacking, unlike in the disruptive up-down alteration from the case of m = 0, 2, 3, 4. Most of the 3D structures were observed only by cooling at rates of 1 °C/min or less. This complex helical self-assembly is representative for other classes of dendronized PBIs investigated for organic electronics and solar cells. © 2011 American Chemical Society

Electric field distribution on surface of the artificial magnetic conductor: miniaturization process

NASA Astrophysics Data System (ADS)

Ramos, Welyson T. S.; Mesquita, Renato C.; Silva, Elson J.

2017-08-01

This paper presents a study of the influence of the geometric shape on the resonance frequency of the artificial magnetic conductor (AMC) by analysis of the electric field distributions on top of the surface metallic patch inside the unit cell. It is known that various parameters such as geometry, dielectric substrate thickness, gap between patches, length and width of patch, size of unit cell, permittivity and permeability strongly affect the resonance frequency. In attempts to elucidate the miniaturization process, as reference, a metallic square patch with a unit cell of size 10 mm × 10 mm was simulated and a resonance frequency of 5.75 GHz was obtained. The device has illuminated by a plane wave with polarization in the y direction. Additionally, different geometries were performed such as triangle, hexagon, circle and cross of Jerusalem. We realized that the field distribution can be used as an physical insight to understand the AMC miniaturization process. In particular, bow-tie geometry provided considerable electrical miniaturization compared with square patch, about 1.5 GHz. The results are supported by finite element method. Our findings suggest that shift at resonant frequency may be interpreted as a variation in the net induced electric polarizability on the surface of the metallic patches.

His-Tag-Mediated Dimerization of Chemoreceptors Leads to Assembly of Functional Nanoarrays.

PubMed

Haglin, Elizabeth R; Yang, Wen; Briegel, Ariane; Thompson, Lynmarie K

2017-11-07

Transmembrane chemotaxis receptors are found in bacteria in extended hexagonal arrays stabilized by the membrane and by cytosolic binding partners, the kinase CheA and coupling protein CheW. Models of array architecture and assembly propose receptors cluster into trimers of dimers that associate with one CheA dimer and two CheW monomers to form the minimal "core unit" necessary for signal transduction. Reconstructing in vitro chemoreceptor ternary complexes that are homogeneous and functional and exhibit native architecture remains a challenge. Here we report that His-tag-mediated receptor dimerization with divalent metals is sufficient to drive assembly of nativelike functional arrays of a receptor cytoplasmic fragment. Our results indicate receptor dimerization initiates assembly and precedes formation of ternary complexes with partial kinase activity. Restoration of maximal kinase activity coincides with a shift to larger complexes, suggesting that kinase activity depends on interactions beyond the core unit. We hypothesize that achieving maximal activity requires building core units into hexagons and/or coalescing hexagons into the extended lattice. Overall, the minimally perturbing His-tag-mediated dimerization leads to assembly of chemoreceptor arrays with native architecture and thus serves as a powerful tool for studying the assembly and mechanism of this complex and other multiprotein complexes.

The structure of small, vapor-deposited particles. II - Experimental study of particles with hexagonal profile

NASA Technical Reports Server (NTRS)

Yacaman, M. J.; Heinemann, K.; Yang, C. Y.; Poppa, H.

1979-01-01

'Multiply-twinned' gold particles with hexagonal bright field TEM profile were determined to be icosahedra composed of 20 identical and twin-related tetrahedral building units that do not have an fcc structure. The crystal structure of these slightly deformed tetrahedra is rhombohedral. Experimental evidence supporting this particle model was obtained by selected-zone dark field and weak beam dark field electron microscopy. In conjunction with the results of part I, it has been concluded that multiply-twinned gold particles of pentagonal or hexagonal profile that are found during the early stages of the vapor deposition growth process on alkali halide surfaces do not have an fcc crystal structure, which is in obvious contrast to the structure of bulk gold.

Spatiotemporal configuration dependent pairing of nerve events in dark-adapted human vision

NASA Astrophysics Data System (ADS)

Bouman, Maarten A.

2002-02-01

In the model presented here, in the dark any single quantum absorption in a rod or cone produces a subliminal excitation. Subliminal excitations from both halves of a twin unit pair in the retina for the perception of light from the stimulus. A twin unit contains either two red or two green cones. The twin units are intertwined in triples of two red units and one green unit in a hexagon called a trion. P satellite rods surround each cone, P being approximately proportional to the square of eccentricity. A successful pairing for light perception represents-through the points of time and locations of the creation of its partners in the retina-a direction event with two possible polarities and with the orientation of the elongated shape of the twin unit. The polarity of the event depends on which of the two partners arrives first at the twin's pairing facility. Simultaneous events and successive events with the same polarity in adjacent units that are aligned along one of the three orientations of the hexagonal retinal mosaic pair in the cortex for the perception of edge and of movement. Inter-twin pairing products of the three differently oriented sets of aligned twins are independent of each other and sum vectorially in the cortex. This system of three sub-retinas is called the retrinet. Two one-quantum excitations in any of a twin's receptors make the percept colored. The odd blue cone produces already a blue signal for a single one-quantum excitation. Intra-receptor pairing in a rod, a red cone and a green cone is for white, red, and green respectively. Red and green cone products of a trion cross-pair in the retina and produce a yellow signal. Red and green cone products of a hexagon of adjacent trions cross-pair in the cortex and produce a white signal. This large hexagon with a total of seven trions is called a persepton. After subliminal excitations in a twin have paired successfully, further subliminal receptor excitations in neighboring and aligned twins are expressed to a certain extent in the percept's area, duration and color. Earlier experiments on absolute and color thresholds are the basis for this theory, which is developed in this paper.

Development of dielectrophoresis MEMS device for PC12 cell patterning to elucidate nerve-network generation

NASA Astrophysics Data System (ADS)

Nakamachi, Eiji; Koga, Hirotaka; Morita, Yusuke; Yamamoto, Koji; Sakamoto, Hidetoshi

2018-01-01

We developed a PC12 cell trapping and patterning device by combining the dielectrophoresis (DEP) methodology and the micro electro mechanical systems (MEMS) technology for time-lapse observation of morphological change of nerve network to elucidate the generation mechanism of neural network. We succeeded a neural network generation, which consisted of cell body, axon and dendrites by using tetragonal and hexagonal cell patterning. Further, the time laps observations was carried out to evaluate the axonal extension rate. The axon extended in the channel and reached to the target cell body. We found that the shorter the PC12 cell distance, the less the axonal connection time in both tetragonal and hexagonal structures. After 48 hours culture, a maximum success rate of network formation was 85% in the case of 40 μm distance tetragonal structure.

A binary-decision-diagram-based two-bit arithmetic logic unit on a GaAs-based regular nanowire network with hexagonal topology.

PubMed

Zhao, Hong-Quan; Kasai, Seiya; Shiratori, Yuta; Hashizume, Tamotsu

2009-06-17

A two-bit arithmetic logic unit (ALU) was successfully fabricated on a GaAs-based regular nanowire network with hexagonal topology. This fundamental building block of central processing units can be implemented on a regular nanowire network structure with simple circuit architecture based on graphical representation of logic functions using a binary decision diagram and topology control of the graph. The four-instruction ALU was designed by integrating subgraphs representing each instruction, and the circuitry was implemented by transferring the logical graph structure to a GaAs-based nanowire network formed by electron beam lithography and wet chemical etching. A path switching function was implemented in nodes by Schottky wrap gate control of nanowires. The fabricated circuit integrating 32 node devices exhibits the correct output waveforms at room temperature allowing for threshold voltage variation.

Development of a shingle-type solar cell module

NASA Technical Reports Server (NTRS)

Shepard, N. F., Jr.; Sanchez, L. E.

1978-01-01

The development of a solar cell module, which is suitable for use in place of shingles on the sloping roofs of residental or commercial buildings, is reported. The design consists of nineteen series-connected 53 mm diameter solar cells arranged in a closely packed hexagon configuration. The shingle solar cell module consists of two basic functional parts: an exposed rigid portion which contains the solar cell assembly, and a semi-flexible portion which is overlapped by the higher courses of the roof installation. Consideration is given to the semi-flexible substrate configuration and solar cell and module-to-module interconnectors. The results of an electrical performance analysis are given and it is noted that high specific power output can be attributed to the efficient packing of the circular cells within the hexagon shape. The shingle should function for at least 15 years, with a specific power output of 98 W/sq w.

Purification, crystallization and preliminary X-ray analysis of phycocyanin and phycoerythrin from Porphyra yezoensis Ueda

PubMed Central

Cai, Chuner; Wu, Lian; Li, Chunxia; He, Peimin; Li, Jie; Zhou, Jiahai

2011-01-01

Porphyra yezoensis is one of the most important and widely cultured seaweeds in China. Phycobiliproteins exhibit excellent spectroscopic properties and play versatile roles in the biomedical, food, cosmetics and chemical synthetic dye industries. Here, the purification and crystallization of phycoerythrin and phycocyanin, two phycobiliproteins extracted from P. yezoensis, are described. Using a novel protocol including co-precipitation with ammonium sulfate and hydroxyapatite column chromatography, both phycobiliproteins were produced on a large scale with improved quality and yield compared with those previously reported. Native PAGE analysis indicated that phycoerythrin and phycocyanin exist as (αβ)3 heterohexamers in solution. The crystals of phycoerythrin diffracted to 2.07 Å resolution and belonged to space group R3. The unit-cell parameters referred to hexagonal axes are a = b = 187.7, c = 59.7 Å, with nine (αβ)2 heterotetramers per unit cell. The crystals of phycocyanin diffracted to 2.70 Å resolution in space group P21. Matthews coefficient analysis shows that 10–19 (αβ) heterodimers of phycocyanin in the asymmetric unit would be reasonable. A self-rotation function calculation clarified this ambiguity and indicated that 12 (αβ) heterodimers of phycocyanin are assembled in the asymmetric unit. PMID:21543866

Extracellular matrix of adipogenically differentiated mesenchymal stem cells reveals a network of collagen filaments, mostly interwoven by hexagonal structural units.

PubMed

Ullah, Mujib; Sittinger, Michael; Ringe, Jochen

2013-01-01

Extracellular matrix (ECM) is the non-cellular component of tissues, which not only provides biological shelter but also takes part in the cellular decisions for diverse functions. Every tissue has an ECM with unique composition and topology that governs the process of determination, differentiation, proliferation, migration and regeneration of cells. Little is known about the structural organization of matrix especially of MSC-derived adipogenic ECM. Here, we particularly focus on the composition and architecture of the fat ECM to understand the cellular behavior on functional bases. Thus, mesenchymal stem cells (MSC) were adipogenically differentiated, then, were transferred to adipogenic propagation medium, whereas they started the release of lipid droplets leaving bare network of ECM. Microarray analysis was performed, to indentify the molecular machinery of matrix. Adipogenesis was verified by Oil Red O staining of lipid droplets and by qPCR of adipogenic marker genes PPARG and FABP4. Antibody staining demonstrated the presence of collagen type I, II and IV filaments, while alkaline phosphatase activity verified the ossified nature of these filaments. In the adipogenic matrix, the hexagonal structures were abundant followed by octagonal structures, whereas they interwoven in a crisscross manner. Regarding molecular machinery of adipogenic ECM, the bioinformatics analysis revealed the upregulated expression of COL4A1, ITGA7, ITGA7, SDC2, ICAM3, ADAMTS9, TIMP4, GPC1, GPC4 and downregulated expression of COL14A1, ADAMTS5, TIMP2, TIMP3, BGN, LAMA3, ITGA2, ITGA4, ITGB1, ITGB8, CLDN11. Moreover, genes associated with integrins, glycoproteins, laminins, fibronectins, cadherins, selectins and linked signaling pathways were found. Knowledge of the interactive-language between cells and matrix could be beneficial for the artificial designing of biomaterials and bioscaffolds. © 2013.

Construction of the Seven Basic Crystallographic Units.

ERIC Educational Resources Information Center

Li, Thomas; Worrell, Jay H.

1989-01-01

Presents an exercise to get students more intimately involved in the three dimensional nature of basic units by constructing models. Uses balsa wood, glue, sandpaper, and a square. Studies seven crystals: cubic, hexagonal, monoclinic, orthorhombic, rhombohedral, tetragonal, and triclinic. Plans are available for a Macintosh computer. (MVL)

Grid cells on steeply sloping terrain: evidence for planar rather than volumetric encoding

PubMed Central

Hayman, Robin M. A.; Casali, Giulio; Wilson, Jonathan J.; Jeffery, Kate J.

2015-01-01

Neural encoding of navigable space involves a network of structures centered on the hippocampus, whose neurons –place cells – encode current location. Input to the place cells includes afferents from the entorhinal cortex, which contains grid cells. These are neurons expressing spatially localized activity patches, or firing fields, that are evenly spaced across the floor in a hexagonal close-packed array called a grid. It is thought that grids function to enable the calculation of distances. The question arises as to whether this odometry process operates in three dimensions, and so we queried whether grids permeate three-dimensional (3D) space – that is, form a lattice – or whether they simply follow the environment surface. If grids form a 3D lattice then this lattice would ordinarily be aligned horizontally (to explain the usual hexagonal pattern observed). A tilted floor would transect several layers of this putative lattice, resulting in interruption of the hexagonal pattern. We model this prediction with simulated grid lattices, and show that the firing of a grid cell on a 40°-tilted surface should cover proportionally less of the surface, with smaller field size, fewer fields, and reduced hexagonal symmetry. However, recording of real grid cells as animals foraged on a 40°-tilted surface found that firing of grid cells was almost indistinguishable, in pattern or rate, from that on the horizontal surface, with if anything increased coverage and field number, and preserved field size. It thus appears unlikely that the sloping surface transected a lattice. However, grid cells on the slope displayed slightly degraded firing patterns, with reduced coherence and slightly reduced symmetry. These findings collectively suggest that the grid cell component of the metric representation of space is not fixed in absolute 3D space but is influenced both by the surface the animal is on and by the relationship of this surface to the horizontal, supporting the hypothesis that the neural map of space is “multi-planar” rather than fully volumetric. PMID:26236245

Crystallization and preliminary X-ray diffraction studies of Seneca Valley Virus-001, a new member of the Picornaviridae family

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venkataraman, Sangita; Reddy, Seshidhar P.; Loo, Jackie

2008-04-01

Seneca Valley Virus-001 of the Picornavirdae family was crystallized in the space group R3 and X-ray diffraction data was collected to a resolution of 2.3 Å. Rotation-function studies suggested the presence of two distict sets of 20 protomers that belong to two different virus particles in the crystallographic asymmetric unit. Seneca Valley Virus-001 (SVV-001) is a newly found species in the Picornaviridae family. SVV-001 is the first naturally occurring nonpathogenic picorna@@virus observed to mediate selective cytotoxicity towards tumor cells with neuroendocrine cancer features. The nonsegmented (+)ssRNA genome of SVV-001 shares closest sequence similarity to the genomes of the members ofmore » the Cardiovirus genus. However, based on the distinct characteristics of the genome organization and other biochemical properties, it has been suggested that SVV-001 represents a new genus, namely ‘Senecavirus’, in the Picornaviridae family. In order to understand the oncolytic properties of SVV-001, the native virus was crystallized using the hanging-drop vapour-diffusion method. The crystals belonged to space group R3, with unit-cell parameters (in the hexagonal setting) a = b = 311.5, c = 1526.4 Å. Although the SVV crystals diffracted to better than 2.3 Å resolution, the data quality is acceptable [I/σ(I) > 2.0] to 2.6 Å resolution. The unit-cell volume and the locked rotation-function analysis suggest that six particles could be accommodated in the unit cell, with two distinct sets of one third of a particle, each containing 20 protomers, occupying the crystallographic asymmetric unit.« less

Crystallization and preliminary X-ray analysis of the atrial natriuretic peptide (ANP) receptor extracellular domain complex with ANP: use of ammonium sulfate as the cryosalt.

PubMed

Ogawa, Haruo; Zhang, Xiaolun; Qiu, Yue; Ogata, Craig M; Misono, Kunio S

2003-10-01

Atrial natriuretic peptide (ANP) plays a major role in blood pressure and volume regulation owing to its natriuretic and vasodilatory activities. The ANP receptor is a single-span transmembrane receptor coupled to its intrinsic guanylyl cyclase activity. The extracellular hormone-binding domain of rat ANP receptor (ANPR) was overexpressed by permanent transfection in CHO cells and purified. ANPR complexed with ANP was crystallized at 301 K by the hanging-drop vapor-diffusion method. The crystals were frozen in 3.4 M ammonium sulfate used as a cryoprotectant. The crystals diffracted to 3.1 A resolution using synchrotron radiation and belonged to the hexagonal space group P6(1), with unit-cell parameters a = b = 100.3, c = 258.6 A.

Facile synthesis and structure characterization of hexagonal tungsten bronzes crystals

NASA Astrophysics Data System (ADS)

Lee, Jiann-Shing; Liu, Hao-Chuan; Peng, Gao-De; Tseng, Yawteng

2017-05-01

A facile molten-salt route was used to synthesize hexagonal Cs0.33WO3, Rb0.33WO3 and K0.30WO3 crystals. The three isostructural compounds were successfully prepared from the reaction of MxWO3 powders (M = Cs, Rb, K) in the CsCl/NaCl, RbCl/NaCl and KCl/NaCl fluxes, respectively. The structure determination and refinement, based on single-crystal X-ray diffraction data, are in agreement with previous works, possessing space group P63/mcm. The a and c parameters vary non-linearly with increasing radii of the M+ cations (rM) that is coordinated to twelve oxygen atoms. Both the volumes of unit-cell and WO6 octahedra vary linearly with rM, which become smaller from Cs0.33WO3 to K0.30WO3. The distortion of WO6 octahedra as well as isotropic displacement parameters increases from Cs0.33WO3 to K0.30WO3. The geometry of the WO6 octahedron becomes more regular with increasing rM. These structural trends arise from the effective size of the M+ cation.

2D-crystallization of Rhodococcus 20S proteasome at the liquid-liquid interface

NASA Astrophysics Data System (ADS)

Aoyama, Kazuhiro

1996-10-01

The 2D-crystallization method using the liquid-liquid interface between a aqueous phase (protein solution) and a thin organic liquid (dehydroabietylamine) layer has been applied to the Rhodococcus 20S proteasome. The 20S proteasome is known to be the core complex of the 26S proteasome, which is the central protease of the ubiquitin-dependent pathway. Two types of ordered arrays were obtained, both large enough for high resolution analysis by electron crystallography. The first one had a four-fold symmetry, whereas the second one was found out to be a hexagonally close-packed array. By image analysis based on a real space correlation averaging (CAV) technique, the close-packed array was found to be hexagonally packed, but the molecules had presumably rotational freedom. The four-fold array was found to be a true crystal with p4 symmetry. Lattice constants were a = b = 20.0 nm and α = 90°. The unit cell of this crystal contained two molecules. The diffraction pattern computed from the original picture showed spots up to (4, 5) that corresponds to 3.1 nm resolution. After applying an unbending procedure, the diffraction pattern showed spots extending to 1.8 nm resolution.

Tilted hexagonal post arrays: DNA electrophoresis in anisotropic media.

PubMed

Chen, Zhen; Dorfman, Kevin D

2014-02-01

Using Brownian dynamics simulations, we show that DNA electrophoresis in a hexagonal array of micron-sized posts changes qualitatively when the applied electric field vector is not coincident with the lattice vectors of the array. DNA electrophoresis in such "tilted" post arrays is superior to the standard "un-tilted" approach; while the time required to achieve a resolution of unity in a tilted post array is similar to an un-tilted array at a low-electric field strengths, this time (i) decreases exponentially with electric field strength in a tilted array and (ii) increases exponentially with electric field strength in an un-tilted array. Although the DNA dynamics in a post array are complicated, the electrophoretic mobility results indicate that the "free path," i.e. the average distance of ballistic trajectories of point-sized particles launched from random positions in the unit cell until they intersect the next post, is a useful proxy for the detailed DNA trajectories. The analysis of the free path reveals a fundamental connection between anisotropy of the medium and DNA transport therein that goes beyond simply improving the separation device. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Control over self-assembly of diblock copolymers on hexagonal and square templates for high area density circuit boards.

PubMed

Feng, Jie; Cavicchi, Kevin A; Heinz, Hendrik

2011-12-27

Self-assembled diblock copolymer melts on patterned substrates can induce a smaller characteristic domain spacing compared to predefined lithographic patterns and enable the manufacture of circuit boards with a high area density of computing and storage units. Monte Carlo simulation using coarse-grain models of polystyrene-b-polydimethylsiloxane shows that the generation of high-density hexagonal and square patterns is controlled by the ratio N(D) of the surface area per post and the surface area per spherical domain of neat block copolymer. N(D) represents the preferred number of block copolymer domains per post. Selected integer numbers support the formation of ordered structures on hexagonal (1, 3, 4, 7, 9) and square (1, 2, 5, 7) templates. On square templates, only smaller numbers of block copolymer domains per post support the formation of ordered arrays with significant stabilization energies relative to hexagonal morphology. Deviation from suitable integer numbers N(D) increases the likelihood of transitional morphologies between square and hexagonal. Upon increasing the spacing of posts on the substrate, square arrays, nested square arrays, and disordered hexagonal morphologies with multiple coordination numbers were identified, accompanied by a decrease in stabilization energy. Control over the main design parameter N(D) may allow an up to 7-fold increase in density of spherical block copolymer domains per surface area in comparison to the density of square posts and provide access to a wide range of high-density nanostructures to pattern electronic devices.

Pressure-induced structural transformations in lanthanide titanates: La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, F.X., E-mail: zhangfx@umich.ed; Wang, J.W.; Lang, M.

The structure of orthorhombic rare earth titanates of La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}, where Ti cations are in five-fold coordination with oxygen, has been studied at high pressures by X-ray diffraction (XRD), Raman scattering measurements, and quantum mechanical calculations. Both XRD and Raman results indicated two pressure-induced phase transitions during the process. An orthorhombic super cell (axbx2c) formed at a pressure between 6 and 10 GPa, and then transformed to a hexagonal high-pressure phase accompanied by partial decomposition. The hexagonal high-pressure phase is quenchable. Detailed structural analysis indicated that the five-coordinated TiO{sub 5} polyhedra remain during the formationmore » of super cell, but the orthorhombic-to-hexagonal phase transition at high pressures is a reconstructive process, and the five-fold Ti-O coordination increased to more than 6. This phase transition sequence was verified by quantum mechanical calculations. - Graphical abstract: At high pressures, La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5} transform from the orthorhombic phase to an axbx2c superlattice of the orthorhombic structure and then to a hexagonal high-pressure phase. Display Omitted« less

Corneal endothelial cell density and morphology in Phramongkutklao Hospital

PubMed Central

Sopapornamorn, Narumon; Lekskul, Manapon; Panichkul, Suthee

2008-01-01

Objective To describe the corneal endothelial density and morphology in patients of Phramongkutklao Hospital and the relationship between endothelial cell parameters and other factors. Methods Four hundred and four eyes of 202 volunteers were included. Noncontact specular microscopy was performed after taking a history and testing the visual acuity, intraocular pressure measurement, Schirmer’s test and routine eye examination by slit lamp microscope. The studied parameters included mean endothelial cell density (MCD), coefficient of variation (CV), and percentage of hexagonality. Results The mean age of volunteers was 45.73 years; the range being 20 to 80 years old. Their MCD (SD), mean percentage of CV (SD) and mean (SD) percentage of hexagonality were 2623.49(325) cell/mm2, 39.43(8.23)% and 51.50(10.99)%, respectively. Statistically, MCD decreased significantly with age (p < 0.01). There was a significant difference in the percentage of CV between genders. There was no statistical significance between parameters and other factors. Conclusion The normative data of the corneal endothelium of Thai eyes indicated that, statistically, MCD decreased significantly with age. Previous studies have reported no difference in MCD, percentage of CV, and percentage of hexagonality between gender. Nevertheless, significantly different percentages of CV between genders were presented in this study. PMID:19668398

Thermodynamic stability of boron: the role of defects and zero point motion.

PubMed

van Setten, Michiel J; Uijttewaal, Matthé A; de Wijs, Gilles A; de Groot, Robert A

2007-03-07

Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use density functional calculations in the generalized gradient approximation to study a broad range of possible beta-rhombohedral structures containing interstitial atoms and partially occupied sites within a 105 atoms framework. The two most stable structures are practically degenerate in energy and semiconducting. One contains the experimental 320 atoms in the hexagonal unit cell, and the other contains 106 atoms in the triclinic unit cell. When populated with the experimental 320 electrons, the 106 atom structure exhibits a band gap of 1.4 eV and an in-gap hole trap at 0.35 eV above the valence band, consistent with known experiments. The total energy of these two structures is 23 meV/B lower than the original 105 atom framework, but it is still 1 meV/B above the alpha phase. Adding zero point energies finally makes the beta phase the ground state of elemental boron by 3 meV/B. At finite temperatures, the difference becomes even larger.

Crystallization and preliminary X-ray crystallographic analysis of the heterodimeric crotoxin complex and the isolated subunits crotapotin and phospholipase A{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santos, K. F.; Murakami, M. T.; Cintra, A. C. O.

2007-04-01

Crotoxin, a potent neurotoxin from the venom of the South American rattlesnake Crotalus durissus terrificus, exists as a heterodimer formed between a phospholipase A{sub 2} and a catalytically inactive acidic phospholipase A{sub 2} analogue (crotapotin). Large single crystals of the crotoxin complex and of the isolated subunits have been obtained. Crotoxin, a potent neurotoxin from the venom of the South American rattlesnake Crotalus durissus terrificus, exists as a heterodimer formed between a phospholipase A{sub 2} and a catalytically inactive acidic phospholipase A{sub 2} analogue (crotapotin). Large single crystals of the crotoxin complex and of the isolated subunits have been obtained.more » The crotoxin complex crystal belongs to the orthorhombic space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 38.2, b = 68.7, c = 84.2 Å, and diffracted to 1.75 Å resolution. The crystal of the phospholipase A{sub 2} domain belongs to the hexagonal space group P6{sub 1}22 (or its enantiomorph P6{sub 5}22), with unit-cell parameters a = b = 38.7, c = 286.7 Å, and diffracted to 2.6 Å resolution. The crotapotin crystal diffracted to 2.3 Å resolution; however, the highly diffuse diffraction pattern did not permit unambiguous assignment of the unit-cell parameters.« less

Average crystal structure(s) of the embedded meta stable η‧-phase in the Al-Mg-Zn system

NASA Astrophysics Data System (ADS)

Bøvik Larsen, Helge; Thorkildsen, Gunnar; Natland, Sølvi; Pattison, Philip

2014-05-01

Meta stable embedded nano-sized ?-particles within a single grain extracted from an alloy having the nominal composition ? have been examined with X-ray diffraction. By applying the orientational and metric relationships that exist between the hexagonal unit cell of the ?-particles and the cubic unit cell of the Al-matrix, it has been proven possible to directly collect diffracted intensity data from the ?-particle ensemble. This has been done using synchrotron radiation and a ?-diffractometer having a scintillator point detector setup. The approach has resulted in improved data quality compared to previous experiments. The interpretation of the data set, based on a combination of Patterson syntheses, direct methods and geometrical restraints, yielded two possible average structural representations: one Al-rich with the approximate stoichiometric composition ? and one Al-depleted with approximate stoichiometric composition ?. Both structures are realized in the same space group, ?, and are most probably superimposed in the crystalline system examined. The geometries are discussed within the atomic environment approach where icosahedral or near-icosahedral configurations are encountered. Comparison with previous published models and the equilibrium structure reveals a main difference related to the distribution of the Zn-sites in the unit cell. A possible transformation path is also suggested. Various aspects and challenges regarding data collection, data reduction and data quality are specifically addressed.

Toward the Fabrication of Advanced Nanofiltration Membranes by Controlling Morphologies and Mesochannel Orientations of Hexagonal Lyotropic Liquid Crystals.

PubMed

Wang, Guang; Garvey, Christopher J; Zhao, Han; Huang, Kang; Kong, Lingxue

2017-07-21

Water scarcity has been recognized as one of the major threats to human activity, and, therefore, water purification technologies are increasingly drawing attention worldwide. Nanofiltration (NF) membrane technology has been proven to be an efficient and cost-effective way in terms of the size and continuity of the nanostructure. Using a template based on hexagonal lyotropic liquid crystals (LLCs) and partitioning monomer units within this structure for subsequent photo-polymerisation presents a unique path for the fabrication of NF membranes, potentially producing pores of uniform size, ranging from 1 to 5 nm, and large surface areas. The subsequent orientation of this pore network in a direction normal to a flat polymer film that provides ideal transport properties associated with continuous pores running through the membrane has been achieved by the orientation of hexagonal LLCs through various strategies. This review presents the current progresses on the strategies for structure retention from a hexagonal LLCs template and the up-to-date techniques used for the reorientation of mesochanels for continuity through the whole membrane.

Effect of surface tension anisotropy on cellular morphologies

NASA Technical Reports Server (NTRS)

Mcfadden, G. B.; Coriell, S. R.; Sekerka, R. F.

1988-01-01

A three-dimensional weakly nonlinear analysis for conditions near the onset of instability at the crystal-melt interface was carried out to second order, taking into account the effects of latent heat generation and surface-tension anisotropy of the crystal-melt interface; particular consideration was given to the growth of a cubic crystal in the 001-, 011-, and 111-line directions. Numerical calculations by McFadden et al. (1987), performed for an aluminum-chromium alloy with the assumption of a linear temperature field and an isotropic surface tension, showed that only hexagonal nodes (and not hexagonal cells) occurred near the onset of instability. The results of the present analysis indicate that the nonlinear temperature field (which occurs when thermal conductivities of the crystal and the melt are different and/or the latent heat effects are not negligible) can modify this result and, for certain alloys and processing conditions, can cause the occurrence of hexagonal cells near the onset of instability.

Pressure-induced Structural Transformations in LanthanideTitanates: La2TiO5 and Nd2TiO5

DOE Office of Scientific and Technical Information (OSTI.GOV)

F Zhang; J Wang; M Lang

The structure of orthorhombic rare earth titanates of La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}, where Ti cations are in five-fold coordination with oxygen, has been studied at high pressures by X-ray diffraction (XRD), Raman scattering measurements, and quantum mechanical calculations. Both XRD and Raman results indicated two pressure-induced phase transitions during the process. An orthorhombic super cell (a x b x 2c) formed at a pressure between 6 and 10 GPa, and then transformed to a hexagonal high-pressure phase accompanied by partial decomposition. The hexagonal high-pressure phase is quenchable. Detailed structural analysis indicated that the five-coordinated TiO{sub 5} polyhedramore » remain during the formation of super cell, but the orthorhombic-to-hexagonal phase transition at high pressures is a reconstructive process, and the five-fold Ti-O coordination increased to more than 6. This phase transition sequence was verified by quantum mechanical calculations.« less

Fabrication of non-hexagonal close packed colloidal array on a substrate by transfer

NASA Astrophysics Data System (ADS)

Banik, Meneka; Mukherjee, Rabibrata

Self-organized colloidal arrays find application in fabrication of solar cells with advanced light management strategies. We report a simple spincoating based approach for fabricating two dimensional colloidal crystals with hexagonal and non-hexagonal close packed assembly on flat and nanopatterned substrates. The non-HCP arrays were fabricated by spin coating the particles onto soft lithographically fabricated substrates. The substrate patterns impose directionality to the particles by confining them within the grooves. We have developed a technique by which the HCP and non-HCP arrays can be transferred to any surface. For this purpose the colloidal arrays were fabricated on a UV degradable PMMA layer, resulting in transfer of the particles on UV exposure. This allows the colloidal structures to be transported across substrates irrespective of their surface energy, wettability or morphology. Since the particles are transferred without exposing it to any kind of chemical or thermal environment, it can be utilized for placing particles on top of thin film solar cells for improving their absorption efficiency.

Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of macrophage growth locus A (MglA) protein from Francisella tularensis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Subburaman, P.; Austin, B.P.; Shaw, G.X.

2010-11-03

Francisella tularensis, a potential bioweapon, causes a rare infectious disease called tularemia in humans and animals. The macrophage growth locus A (MglA) protein from F. tularensis associates with RNA polymerase to positively regulate the expression of multiple virulence factors that are required for its survival and replication within macrophages. The MglA protein was overproduced in Escherichia coli, purified and crystallized. The crystals diffracted to 7.5 {angstrom} resolution at the Advanced Photon Source, Argonne National Laboratory and belonged to the hexagonal space group P6{sub 1} or P6{sub 5}, with unit-cell parameters a = b = 125, c = 54 {angstrom}.

Measurement area and repeatability of semiautomated assessment of corneal endothelium in the Topcon specular microscope SP-2000P and IMAGEnet system.

PubMed

Ding, Xiaohu; Huang, Qunxiao; Zheng, Yingfeng; Jiang, Yuzhen; Huang, Shengsong; He, Mingguang

2012-10-01

To investigate the repeatability of the semiautomatic assessment of corneal endothelial cells and its association with the measurement area in the Topcon SP-2000P microscope and IMAGEnet system. Specular microscopic images of 86 healthy subjects were captured and analyzed using the Topcon SP-2000P microscope and IMAGEnet system. The same images were analyzed twice, on separate days, by the same examiner using the built-in measurement tool of the IMAGEnet system. The measurement areas were defined with a frame mounted on a computer screen. Four different-sized measurement areas were chosen for the semiautomatic measurements: box A (5.4 × 13.9 cm(2)), box B (4 × 10 cm(2)), box C (4 × 7 cm(2)), and box D (2 × 5 cm(2)). Average cell size (ACS), endothelial cell density (ECD), coefficient of variance, and hexagonality were measured. Repeatability was assessed based on the limit of agreement (LOA). The means of ACS, ECD, and hexagonality were not statistically different across 4 measurement areas (analysis of variance, P > 0.05). The mean differences (bias) were modest for ACS (range, -1.9∼3.9 μm(2)), ECD (range, -27.2∼14.6 cells per square millimeter), coefficient of variance (range, -0.14∼1.00), and hexagonality (range, -1.3%∼6.8%). Limits of agreement (mean difference ± 1.96× SD) were greater in the measurements with smaller areas: limit of agreement values for ECD were 14.6 ± 99.6, -3.8 ± 101.1, -27.2 ± 179, and -15.8 ± 488 cells per square millimeter for boxes A, B, C, and D, respectively. Similar trends were found in the repeatability of ACS and hexagonality. Repeatability is improved when larger measurement areas are chosen.

Electromagnetic Spectrum Analysis and Its Influence on the Photoelectric Conversion Efficiency of Solar Cells.

PubMed

Hu, Kexiang; Ding, Enjie; Wangyang, Peihua; Wang, Qingkang

2016-06-01

The electromagnetic spectrum and the photoelectric conversion efficiency of the silicon hexagonal nanoconical hole (SiHNH) arrays based solar cells is systematically analyzed according to Rigorous Coupled Wave Analysis (RCWA) and Modal Transmission Line (MTL) theory. An ultimate efficiency of the optimized SiHNH arrays based solar cell is up to 31.92% in consideration of the absorption spectrum, 4.52% higher than that of silicon hexagonal nanoconical frustum (SiHNF) arrays. The absorption enhancement of the SiHNH arrays is due to its lower reflectance and more supported guided-mode resonances, and the enhanced ultimate efficiency is insensitive to bottom diameter (D(bot)) of nanoconical hole and the incident angle. The result provides an additional guideline for the nanostructure surface texturing fabrication design for photovoltaic applications.

Structural characterization of layered Na0.5Co0.5Mn0.5O2 material as a promising cathode for sodium-ion batteries

NASA Astrophysics Data System (ADS)

Manikandan, Palanisamy; Heo, Seongwoo; Kim, Hyun Woo; Jeong, Hu Young; Lee, Eungje; Kim, Youngsik

2017-09-01

Layered Na0.5Co0.5Mn0.5O2 material is synthesized through a facile mixed hydroxy-carbonate route using (Co0.5Mn0.5)2(OH)2CO3 precursor and well characterized as a hexagonal layered structure under P63/mmc space group. The lattice parameters and unit cell volume (a = 2.8363 Å, c = 11.3152 Å and V = 78.83 Å3) are calculated by Rietveld refinement analysis. A flaky-bundle morphology is obtained to the layered Na0.5Co0.5Mn0.5O2 material with the hexagonal flake size ∼30 nm. Advanced transmission electron microscopic images are revealed the local structure of the layered Na0.5Co0.5Mn0.5O2 material with contrasting bright dots and faint dark dots corresponding to the Co/Mn and Na atoms. Two oxidation and reduction peaks are occurred in a cyclic voltammetric analysis corresponding to Co3+/Co4+ and Mn3+/Mn4+ redox processes. These reversible processes are attributed to the intercalation/de-intercalation of Na+ ions into the host structure of layered Na0.5Co0.5Mn0.5O2 material. Accordingly, the sodium cell is delivered the initial charge-discharge capacity 53/144 mAh g-1 at 0.5 C, which cycling studies are extended to rate capability test at 1 C, 3 C and 5C. Eventually, the Na-ion full-cell is yielded cathode charge-discharge capacity 55/52 mAh g-1 at 0.212 mA and exhibited as a high voltage cathode for Na-ion batteries.

Extrinsic effects on the disorder dynamics of Bénard-Marangoni patterns

NASA Astrophysics Data System (ADS)

Cerisier, P.; Rahal, S.; Billia, B.

1996-10-01

The influence of the vessel shape, the initial conditions, and the vertical temperature gradient on dynamics and amount of disorder in convective patterns evolving in Bénard-Marangoni instability have been analyzed by using statistical tools, namely the density of defects, a disorder function, the order-disorder (m,σ) diagram introduced from the minimal spanning tree approach by Dussert et al., [Phys. Rev. B 34, 3528 (1986)] and the entropy function recently defined by Loeffler (unpublished). Pattern disorder is studied for transient and steady states. Experimental results show that the disorder in the hexagonal patterns of Bénard-Marangoni convection (i) is minimized in a hexagonal vessel and (ii) can be described as a Gaussian noise superimposed on a perfect array of hexagonal cells. Starting from imposed arrays, both hexagonal and nonhexagonal, with a wavelength different from the one that is naturally selected, the final state is independent of initial conditions. Disorder increases with the distance from the threshold. Depending on the Prandtl number, different behaviors of the patterns are observed.

A one-dimensional ice structure built from pentagons

NASA Astrophysics Data System (ADS)

Carrasco, Javier; Michaelides, Angelos; Forster, Matthew; Haq, Sam; Raval, Rasmita; Hodgson, Andrew

2009-05-01

Heterogeneous ice nucleation has a key role in fields as diverse as atmospheric chemistry and biology. Ice nucleation on metal surfaces affords an opportunity to watch this process unfold at the molecular scale on a well-defined, planar interface. A common feature of structural models for such films is that they are built from hexagonal arrangements of molecules. Here we show, through a combination of scanning tunnelling microscopy, infrared spectroscopy and density-functional theory, that about 1-nm-wide ice chains that nucleate on Cu(110) are not built from hexagons, but instead are built from a face-sharing arrangement of water pentagons. The pentagon structure is favoured over others because it maximizes the water-metal bonding while maintaining a strong hydrogen-bonding network. It reveals an unanticipated structural adaptability of water-ice films, demonstrating that the presence of the substrate can be sufficient to favour non-hexagonal structural units.

A quenchable superhard carbon phase synthesized by cold compression of carbon nanotubes.

PubMed

Wang, Zhongwu; Zhao, Yusheng; Tait, Kimberly; Liao, Xiaozhou; Schiferl, David; Zha, Changsheng; Downs, Robert T; Qian, Jiang; Zhu, Yuntian; Shen, Tongde

2004-09-21

A quenchable superhard high-pressure carbon phase was synthesized by cold compression of carbon nanotubes. Carbon nanotubes were placed in a diamond anvil cell, and x-ray diffraction measurements were conducted to pressures of approximately 100 GPa. A hexagonal carbon phase was formed at approximately 75 GPa and preserved at room conditions. X-ray and transmission electron microscopy electron diffraction, as well as Raman spectroscopy at ambient conditions, explicitly indicate that this phase is a sp(3)-rich hexagonal carbon polymorph, rather than hexagonal diamond. The cell parameters were refined to a(0) = 2.496(4) A, c(0) = 4.123(8) A, and V(0) = 22.24(7) A (3). There is a significant ratio of defects in this nonhomogeneous sample that contains regions with different stacking faults. In addition to the possibly existing amorphous carbon, an average density was estimated to be 3.6 +/- 0.2 g/cm(3), which is at least compatible to that of diamond (3.52 g/cm(3)). The bulk modulus was determined to be 447 GPa at fixed K' identical with 4, slightly greater than the reported value for diamond of approximately 440-442 GPa. An indented mark, along with radial cracks on the diamond anvils, demonstrates that this hexagonal carbon is a superhard material, at least comparable in hardness to cubic diamond.

A quenchable superhard carbon phase synthesized by cold compression of carbon nanotubes

PubMed Central

Wang, Zhongwu; Zhao, Yusheng; Tait, Kimberly; Liao, Xiaozhou; Schiferl, David; Zha, Changsheng; Downs, Robert T.; Qian, Jiang; Zhu, Yuntian; Shen, Tongde

2004-01-01

A quenchable superhard high-pressure carbon phase was synthesized by cold compression of carbon nanotubes. Carbon nanotubes were placed in a diamond anvil cell, and x-ray diffraction measurements were conducted to pressures of ≈100 GPa. A hexagonal carbon phase was formed at ≈75 GPa and preserved at room conditions. X-ray and transmission electron microscopy electron diffraction, as well as Raman spectroscopy at ambient conditions, explicitly indicate that this phase is a sp3-rich hexagonal carbon polymorph, rather than hexagonal diamond. The cell parameters were refined to a0 = 2.496(4) Å, c0 = 4.123(8) Å, and V0 = 22.24(7) Å 3. There is a significant ratio of defects in this nonhomogeneous sample that contains regions with different stacking faults. In addition to the possibly existing amorphous carbon, an average density was estimated to be 3.6 ± 0.2 g/cm3, which is at least compatible to that of diamond (3.52 g/cm3). The bulk modulus was determined to be 447 GPa at fixed K′≡4, slightly greater than the reported value for diamond of ≈440–442 GPa. An indented mark, along with radial cracks on the diamond anvils, demonstrates that this hexagonal carbon is a superhard material, at least comparable in hardness to cubic diamond. PMID:15361581

On the Effect of Feedback Control on Benard Convection in a Boussinesq Fluid

NASA Technical Reports Server (NTRS)

Shortis, Trudi A.; Hall, Philip

1996-01-01

The effect of nonlinear feedback control strategies on the platform of convection in a Boussinesq fluid heated from below is investigated. In the absence of the control, given that non-Boussinesq effects may be neglected, it is well known that convection begins in the form of a supercritical bifurcation to rolls. Non-Boussinesq behaviour destroys the symmetry of the basic state, and through a subcritical bifurcation leads to the formation of hexagonal cells. Here we discuss the influence of regulation of the lower surface temperature by means of a control mechanism, made up of a combination of a proportional linear and nonlinear controller, on the stability of the hexagonal cell pattern.

Hexagonal pattern instabilities in rotating Rayleigh-Bénard convection of a non-Boussinesq fluid: experimental results.

PubMed

Guarino, Alessio; Vidal, Valerie

2004-06-01

Motivated by the Küppers-Lortz instability of roll patterns in the presence of rotation, we have investigated the effects of rotation on a hexagonal pattern in Rayleigh-Bénard convection. While several theoretical models have been developed, experimental data cannot be found in the literature. In order to check the validity of the predictions and to study the effects of rotation on the behavior of the system, we present experimental results for a non-Boussinesq Rayleigh-Bénard convection with rotation about the vertical axis. Rotation introduces an additional control parameter, namely the dimensionless rotation rate Omega= 2 pi f d(2)/nu, where f is the rotation rate (in Hz), d is the thickness of the cell, and nu is the kinematic viscosity. We observe that the cell rotation induces a slow rotation of the pattern in the opposite direction (approximately Omega x 10(-4) ) in the rotating frame. Moreover, it tends to destroy the convective pattern. No oscillation of the hexagonal pattern over the range of its existence (Omega< or =6) has been observed.

Silver Nanoscale Hexagonal Column Chips for Detecting Cell-free DNA and Circulating Nucleosomes in Cancer Patients.

PubMed

Ito, Hiroaki; Hasegawa, Katsuyuki; Hasegawa, Yuuki; Nishimaki, Tadashi; Hosomichi, Kazuyoshi; Kimura, Satoshi; Ohba, Motoi; Yao, Hiroshi; Onimaru, Manabu; Inoue, Ituro; Inoue, Haruhiro

2015-05-21

Blood tests, which are commonly used for cancer screening, generally have low sensitivity. Here, we developed a novel rapid and simple method to generate silver nanoscale hexagonal columns (NHCs) for use in surface-enhanced Raman scattering (SERS). We reported that the intensity of SERS spectra of clinical serum samples obtained from gastrointestinal cancer patients is was significantly higher than that of SERS spectra of clinical serum samples obtained from non-cancer patients. We estimated the combined constituents on silver NHCs by using a field emission-type scanning electron microscope, Raman microscopes, and a 3D laser scanning confocal microscope. We obtained the Raman scattering spectra of samples of physically fractured cells and clinical serum. No spectra were obtained for chemically lysed cultured cells and DNA, RNA, and protein extracted from cultured cells. We believe that our method, which uses SERS with silver NHCs to detect circulating nucleosomes bound by methylated cell-free DNA, may be successfully implemented in blood tests for cancer screening.

Properties of solar generators with reflectors and radiators

NASA Astrophysics Data System (ADS)

Ebeling, W. D.; Rex, D.; Bierfischer, U.

1980-06-01

Radiation cooled concentrator systems using silicon and GaAs cells were studied. The principle of radiation cooling by the reflector surfaces is discussed for cylindrical parabolic reflectors (SARA), truncated hexagonal pyramids, and a small trough configuration. Beam paths, collection properties for imperfect orientation, and thermal optimization parameters were analyzed. The three concentrating systems with radiation cooling offer advantages over the plane panel and over the large trough. With silicon solar cells they exhibit considerably lower solar cell consumption per Kw and also lower mass per kW. With GaAs cells the SARA system reduces the number of solar cells needed per kW to less than 10%. Also in all other cases SARA offers the best values for alpha and F sub sol, as long as narrow angular tolerances of the panel orientation can be met. Analysis of the energy collecting properties for imperfect orientation shows the superiority of the hexagonal concentrator. This device can produce power for even large angles between the sun and the panel normal.

Expression, crystallization and preliminary crystallographic studies of a novel bifunctional N-­acetylglutamate synthase/kinase from Xanthomonas campestris homologous to vertebrate N-acetylglutamate synthase

PubMed Central

Shi, Dashuang; Caldovic, Ljubica; Jin, Zhongmin; Yu, Xiaolin; Qu, Qiuhao; Roth, Lauren; Morizono, Hiroki; Hathout, Yetrib; Allewell, Norma M.; Tuchman, Mendel

2006-01-01

A novel N-acetylglutamate synthase/kinase bifunctional enzyme of arginine biosynthesis that was homologous to vertebrate N-acetylglutamate synthases was identified in Xanthomonas campestris. The protein was overexpressed, purified and crystallized. The crystals belong to the hexagonal space group P6222, with unit-cell parameters a = b = 134.60, c = 192.11 Å, and diffract to about 3.0 Å resolution. Selenomethionine-substituted recombinant protein was produced and selenomethionine substitution was verified by mass spectroscopy. Multiple anomalous dispersion (MAD) data were collected at three wavelengths at SER-CAT, Advanced Photon Source, Argonne National Laboratory. Structure determination is under way using the MAD phasing method. PMID:17142901

Band structure analysis of a thin plate with periodic arrangements of slender beams

NASA Astrophysics Data System (ADS)

Serrano, Ó.; Zaera, R.; Fernández-Sáez, J.

2018-04-01

This work analyzes the wave propagation in structures composed of a periodic arrangement of vertical beams rigidly joined to a plate substrate. Three different configurations for the distribution of the beams have been analyzed: square, triangular, and hexagonal. A dimensional analysis of the problem indicates the presence of three dimensionless groups of parameters controlling the response of the system. The main features of the wave propagation have been found using numerical procedures based on the Finite Element Method, through the application of the Bloch's theorem for the corresponding primitive unit cells. Illustrative examples of the effect of the different dimensionless parameters on the dynamic behavior of the system are presented, providing information relevant for design.

Static high-pressure structural studies on Dy to 119 GPa

NASA Astrophysics Data System (ADS)

Patterson, Reed; Saw, Cheng K.; Akella, Jagannadham

2004-05-01

Structural phase transitions in the rare-earth metal dysprosium have been studied in a diamond anvil cell to 119 GPa by x-ray diffraction. Four transformations following the sequence hcp→Sm-type→dhcp→hR24 (hexagonal)→bcm (monoclinic) are observed at 6, 15, 43, and 73 GPa, respectively. The hexagonal to monoclinic transformation is accompanied by a 6% reduction in volume, which is attributed to delocalization of the 4f electrons, similar to that seen in Ce, Pr, and Gd.

Evaluation of boron nitride nanotubes and hexagonal boron nitrides as nanocarriers for cancer drugs.

PubMed

Emanet, Melis; Şen, Özlem; Çulha, Mustafa

2017-04-01

Boron nitride nanotubes (BNNTs) and hexagonal boron nitrides (hBNs) are novel nanostructures with high mechanical strengths, large surface areas and excellent biocompatibilities. Here, the potential use of BNNTs and hBNs as nanocarriers was comparatively investigated for use with cancer drugs. Doxorubicin (Dox) and folate are used as model drugs and targeting agents, respectively. The obtained results indicate that BNNTs have about a threefold higher Dox loading capacity than hBNs. It was also found that cellular uptake of folate-Dox-BNNTs was much higher when compared with Dox-BNNTs for HeLa cells, due to the presence of folate receptors on the cell surface, leading to increased cancer cell death. In summary, folate and Dox conjugated BNNTs are promising agents in nanomedicine and may have potential drug delivery applications.

Three-dimensional visualization of coated vesicle formation in fibroblasts

PubMed Central

1980-01-01

Fibroblasts apparently ingest low density lipoproteins (LDL) by a selective mechanism of receptor-mediated endocytosis involving the formation of coated vesicles from the plasma membrane. However, it is not known exactly how coated vesicles collect LDL receptors and pinch off from the plasma membrane. In this report, the quick-freeze, deep- etch, rotary-replication method has been applied to fibroblasts; it displays with unusual clarity the coats that appear under the plasma membrane at the start of receptor-mediated endocytosis. These coats appear to be polygonal networks of 7-nm strands or struts arranged into 30-nm polygons, most of which are hexagons but some of which are 5- and 7-sided rings. The proportion of pentagons in each network increases as the coated area of the plasma membrane puckers up from its planar configuration (where the network is mostly hexagons) to its most sharply curved condition as a pinched-off coated vesicle. Coats around the smallest vesicles (which are icosahedrons of hexagons and pentagons) appear only slightly different from "empty coats" purified from homogenized brain, which are less symmetrical baskets containing more pentagons than hexagons. A search for structural intermediates in this coat transformation allows a test of T. Kanaseki and K. Kadota's (1969. J. Cell Biol. 42:202--220.) original idea that an internal rearrangement in this basketwork from hexagons to pentagons could "power" coated vesicle formation. The most noteworthy variations in the typical hexagonal honeycomb are focal juxtapositions of 5- and 7-sided polygons at points of partial contraction and curvature in the basketwork. These appear to precede complete contraction into individual pentagons completely surrounded by hexagons, which is the pattern that characterizes the final spherical baskets around coated vesicles. PMID:6987244

Solid solutions of gadolinium doped zinc oxide nanorods by combined microwave-ultrasonic irradiation assisted crystallization

NASA Astrophysics Data System (ADS)

Kiani, Armin; Dastafkan, Kamran; Obeydavi, Ali; Rahimi, Mohammad

2017-12-01

Nanocrystalline solid solutions consisting of un-doped and gadolinium doped zinc oxide nanorods were fabricated by a modified sol-gel process utilizing combined ultrasonic-microwave irradiations. Polyvinylpyrrolidone, diethylene glycol, and triethylenetetramine respectively as capping, structure directing, and complexing agents were used under ultrasound dynamic aging and microwave heating to obtain crystalline nanorods. Crystalline phase monitoring, lattice parameters and variation, morphology and shape, elemental analysis, functional groups, reducibility, and the oxidation state of emerged species were examined by PXRD, FESEM, TEM, EDX, FTIR, micro Raman, H2-TPR, and EPR techniques. Results have verified that irradiation mechanism of gelation and crystallization reduces the reaction time, augments the crystal quality, and formation of hexagonal close pack structure of Wurtzite morphology. Besides, dissolution of gadolinium within host lattice involves lattice deformation, unit cell distortion, and angular position variation. Structure related shape and growth along with compositional purity were observed through microscopic and spectroscopic surveys. Furthermore, TPR and EPR studies elucidated more detailed behavior upon exposure to the exerted irradiations and subsequent air-annealing including the formed oxidation states and electron trapping centers, presence of gadolinium, zinc, and oxygen disarrays and defects, as well as alteration in the host unit cell via gadolinium addition.

Ballistic Resistance of Honeycomb Sandwich Panels under In-Plane High-Velocity Impact

PubMed Central

Yang, Shu; Wang, Dong; Yang, Li-Jun

2013-01-01

The dynamic responses of honeycomb sandwich panels (HSPs) subjected to in-plane projectile impact were studied by means of explicit nonlinear finite element simulations using LS-DYNA. The HSPs consisted of two identical aluminum alloy face-sheets and an aluminum honeycomb core featuring three types of unit cell configurations (regular, rectangular-shaped, and reentrant hexagons). The ballistic resistances of HSPs with the three core configurations were first analyzed. It was found that the HSP with the reentrant auxetic honeycomb core has the best ballistic resistance, due to the negative Poisson's ratio effect of the core. Parametric studies were then carried out to clarify the influences of both macroscopic (face-sheet and core thicknesses, core relative density) and mesoscopic (unit cell angle and size) parameters on the ballistic responses of the auxetic HSPs. Numerical results show that the perforation resistant capabilities of the auxetic HSPs increase as the values of the macroscopic parameters increase. However, the mesoscopic parameters show nonmonotonic effects on the panels' ballistic capacities. The empirical equations for projectile residual velocities were formulated in terms of impact velocity and the structural parameters. It was also found that the blunter projectiles result in higher ballistic limits of the auxetic HSPs. PMID:24187526

Structure refinement of the δ1p phase in the Fe-Zn system by single-crystal X-ray diffraction combined with scanning transmission electron microscopy.

PubMed

Okamoto, Norihiko L; Tanaka, Katsushi; Yasuhara, Akira; Inui, Haruyuki

2014-04-01

The structure of the δ1p phase in the iron-zinc system has been refined by single-crystal synchrotron X-ray diffraction combined with scanning transmission electron microscopy. The large hexagonal unit cell of the δ1p phase with the space group of P63/mmc comprises more or less regular (normal) Zn12 icosahedra, disordered Zn12 icosahedra, Zn16 icosioctahedra and dangling Zn atoms that do not constitute any polyhedra. The unit cell contains 52 Fe and 504 Zn atoms so that the compound is expressed with the chemical formula of Fe13Zn126. All Fe atoms exclusively occupy the centre of normal and disordered icosahedra. Iron-centred normal icosahedra are linked to one another by face- and vertex-sharing forming two types of basal slabs, which are bridged with each other by face-sharing with icosioctahedra, whereas disordered icosahedra with positional disorder at their vertex sites are isolated from other polyhedra. The bonding features in the δ1p phase are discussed in comparison with those in the Γ and ζ phases in the iron-zinc system.

Ballistic resistance of honeycomb sandwich panels under in-plane high-velocity impact.

PubMed

Qi, Chang; Yang, Shu; Wang, Dong; Yang, Li-Jun

2013-01-01

The dynamic responses of honeycomb sandwich panels (HSPs) subjected to in-plane projectile impact were studied by means of explicit nonlinear finite element simulations using LS-DYNA. The HSPs consisted of two identical aluminum alloy face-sheets and an aluminum honeycomb core featuring three types of unit cell configurations (regular, rectangular-shaped, and reentrant hexagons). The ballistic resistances of HSPs with the three core configurations were first analyzed. It was found that the HSP with the reentrant auxetic honeycomb core has the best ballistic resistance, due to the negative Poisson's ratio effect of the core. Parametric studies were then carried out to clarify the influences of both macroscopic (face-sheet and core thicknesses, core relative density) and mesoscopic (unit cell angle and size) parameters on the ballistic responses of the auxetic HSPs. Numerical results show that the perforation resistant capabilities of the auxetic HSPs increase as the values of the macroscopic parameters increase. However, the mesoscopic parameters show nonmonotonic effects on the panels' ballistic capacities. The empirical equations for projectile residual velocities were formulated in terms of impact velocity and the structural parameters. It was also found that the blunter projectiles result in higher ballistic limits of the auxetic HSPs.

Low resolution crystal structure of Arenicola erythrocruorin: influence of coiled coils on the architecture of a megadalton respiratory protein.

PubMed

Royer, William E; Omartian, Michael N; Knapp, James E

2007-01-05

Annelid erythrocruorins are extracellular respiratory complexes assembled from 180 subunits into hexagonal bilayers. Cryo-electron microscopic experiments have identified two different architectural classes. In one, designated type I, the vertices of the two hexagonal layers are partially staggered, with one hexagonal layer rotated by about 16 degrees relative to the other layer, whereas in the other class, termed type II, the vertices are essentially eclipsed. We report here the first crystal structure of a type II erythrocruorin, that from Arenicola marina, at 6.2 A resolution. The structure reveals the presence of long continuous triple-stranded coiled-coil "spokes" projecting towards the molecular center from each one-twelfth unit; interdigitation of these spokes provides the only contacts between the two hexagonal layers of the complex. This arrangement contrasts with that of a type I erythrocruorin from Lumbricus terrestris in which the spokes are broken into two triple-stranded coiled coils with a disjointed connection. The disjointed connection allows formation of a more compact structure in the type I architecture, with the two hexagonal layers closer together and additional extensive contacts between the layers. Comparison of sequences of the coiled-coil regions of various linker subunits shows that the linker subunits from type II erythrocruorins possess continuous heptad repeats, whereas a sequence gap places these repeats out of register in the type I linker subunits, consistent with a disjointed coiled-coil arrangement.

Spectral radiation analyses of the GOES solar illuminated hexagonal cell scan mirror back

NASA Technical Reports Server (NTRS)

Fantano, Louis G.

1993-01-01

A ray tracing analytical tool has been developed for the simulation of spectral radiation exchange in complex systems. Algorithms are used to account for heat source spectral energy, surface directional radiation properties, and surface spectral absorptivity properties. This tool has been used to calculate the effective solar absorptivity of the geostationary operational environmental satellites (GOES) scan mirror in the calibration position. The development and design of Sounder and Imager instruments on board GOES is reviewed and the problem of calculating the effective solar absorptivity associated with the GOES hexagonal cell configuration is presented. The analytical methodology based on the Monte Carlo ray tracing technique is described and results are presented and verified by experimental measurements for selected solar incidence angles.

The Effect of Sunlight in Parenchyma Pith Cells Diameter of Manihot esculenta

NASA Astrophysics Data System (ADS)

Susanti, D.; Aziz, D. N.; Astuti, W.; Nuraeni, E.

2017-03-01

Sunlight is one of the factors that effect on the grow of a plant. Manihot esculenta is one of the plants that easily found in Indonesia because its role as staple food. The aim of this research is to know the correlation between sunlight the grow of parenchyma pith cells diameter of Manihot esculenta. Independent variable in this research is sunlight, and dependent variable is the parenchyma pith cells diameter of Manihot esculenta. Data was collected is in qualitative and quantitative form. Qualitative data gotten gained by morphology observation. The parenchyma pith cells of Manihot esculenta that is affected by sunlight in 1310 x 10 Lux, morphologically has hexagon, cell walls thick, solid state, and regular composition. Meanwhile, the parenchyma pith cells that has less sunlight (363 x 10 Lux) has a hexagon shape, thin cell walls thin, soft state, and irregular composition. Qualitative data suported by quantitative data. The size of parenchyma pith cells diameter that is affected by sunlight in 1310 x 10 Lux 96,4 µm. While, the stem parenchyma pith cells diameter empulur that has less sunlight (363 x 10 Lux) is 129,8 µm.

Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; Wang, H.; Wu, R. Q., E-mail: wur@uci.edu

2016-05-28

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (∼126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. This giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.

Orthorhombic Zr2Co11 phase revisited

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, X. -Z.; Zhang, W. Y.; Sellmyer, D. J.

2014-10-01

The structure of the orthorhombic Zr2Co11 phase was revisited in the present work. Selected-area electron diffraction (SAED) and high-resolution electron microscopy (HREM) techniques were used to investigate the structure. They show the orthorhombic Zr2Co11 phase has a 1-D incommensurate modulated structure. The structure can be approximately described as a B-centered orthorhombic lattice. The lattice parameters of the orthorhombic Zr2Co11 phase have been determined by a tilt series of SAED patterns. A hexagonal network with a modulation wave has been observed in the HREM image and the hexagonal motif is considered as the basic structural unit.

Magnetic transition temperatures follow crystallographic symmetry in Samarium under high-pressures and low-temperatures

DOE PAGES

Vohra, Yogesh K.; Tsoi, Georgiy M.; Johnson, Craig R.

2016-12-21

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating differentmore » magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm → dhcp → fcc/dist.fcc → hP3 structure sequence at high-pressures and low-temperatures.« less

Magnetic transition temperatures follow crystallographic symmetry in Samarium under high-pressures and low-temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vohra, Yogesh K.; Tsoi, Georgiy M.; Johnson, Craig R.

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating differentmore » magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm → dhcp → fcc/dist.fcc → hP3 structure sequence at high-pressures and low-temperatures.« less

Magnetic transition temperatures follow crystallographic symmetry in samarium under high-pressures and low-temperatures

NASA Astrophysics Data System (ADS)

Johnson, Craig R.; Tsoi, Georgiy M.; Vohra, Yogesh K.

2017-02-01

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm  →  dhcp  →  fcc/dist.fcc  →  hP3 structure sequence at high-pressures and low-temperatures.

Magnetic transition temperatures follow crystallographic symmetry in samarium under high-pressures and low-temperatures.

PubMed

Johnson, Craig R; Tsoi, Georgiy M; Vohra, Yogesh K

2017-02-15

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm  →  dhcp  →  fcc/dist.fcc  →  hP3 structure sequence at high-pressures and low-temperatures.

Computational Recreation of Carbon Dioxide Hydrates at Habitable Planetary Conditions

NASA Astrophysics Data System (ADS)

Recio, J. M.; Izquierdo-Ruiz, F.; Prieto-Ballesteros, O.

2017-12-01

Gas clathrate hydrates are proposed as constituents of the icy moons of the giant planets in the Solar System [1]. Carbon dioxide has been detected on the surface of the moons of Jupiter, supposedly originated by internal degasification. In Ganymede, an aqueous ocean is proposed to exist under a thick ice crust in coexistence with several forms of ice, with pressure reaching up to 1.3 GPa [2]. Due to the limited available data on these systems under these conditions, we propose a combination of computational and experimental studies to describe microscopically and macroscopically the structural and chemical behavior of CO2@H2O polymorphs. This will allow us to understand how their presence affects the geophysical structure and activity and their impact on the habitability of the icy moon. A transition from the sI cubic structure to a high pressure phase at around 0.7 GPa has been found for CO2@H2O. In spite of different attempts to characterize the new structure, a definite answer has not been provided yet. A MH-III Filled Ice Structure type was proposed after neutron diffraction experiments in contrast with an alternative structure similar to the hexagonal C0 type for H2 hydrates [3]. It has an estimated hydration level ratio up to 2H2O:1CO2 and 6 water molecules per unit cell. In the figure below, our optimized unit cell based on this hexagonal C0 structure is displayed. Ab initio calculations using the XDM approximation to include van der Waals effects are performed in our search for the pressure evolution of the equilibrium geometries of the C0-CO2@H2O phase and those of a close related structure to this one called Ih-C0, with 8 water molecules per unit cell. We obtain occupation energies at different hydration ratios, densities, equations of state parameters, and stability energies with respect to decomposition. Raman and IR frequencies are also computed in the 0-2 GPa range. High pressure experiments are also being done in a newly designed chamber able to reach 1 GPa. It is equipped with a sapphire window to allow the measurements of Raman spectra. We believe that these results may throw light into gas hydrates of the habitable bodies of our Solar System. [1] Buffet B. A., Ann. Rev. Earth Plan. Sci. 28, 477, 2010. [2] Bland, M.T. et al. Icarus 200, 207, 2009. [3] Smirnov G. S. et al., J. Phys. Chem. Lett., 2013, 4, 3560

Recovering tubewise power from three-dimensional nodal kinetics calculation during material relocation in an HWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalimullah; Morris, E.E.; Yang, W.S.

1994-12-31

To analyze severe accidents in some special-purpose heavy-water reactors made of assemblies consisting of a number of coaxial tubes of aluminum-clad U-Al fuel and aluminum-clad neutron-capturing material, a mechanistic model, MARTINS, for tube beatup, melting, and molten material relocation has been developed and integrated with the DIF3D nodal hexagonal-z reactor kinetics and other phenomenological modules. The DIF3D kinetics homogenizes all materials located and computes the total power produced in an axial segment of a fuel assembly. This paper presents an approximate method, used in MARTINS, to calculate the distribution of this total nodal power into the intact fuel and capturingmore » material tubes and the meat-cladding mixtures relocating during tube disruption. The method accounts for the change in intraassembly radial power profile due to assembly geometry change with the progress of segment-by-segment disruption of different tubes. Earlier methods to recover pinwise power from nodal calculation for liquid-metal-cooled reactors and light water reactors (X-Y and hexagonal unit cells) are not practical for a disrupting assembly having material relocation. Figure 1 shows the assembly`s end view, divided into rings for modeling and analysis. A ring is a coolant subchannel plus the outer surrounding tube. The present method for distributing the nodal power consists of two parts: (a) calculation of the relative values of ring-by-ring power per unit uranium mass and power per unit mass of neutron-capturing material in a given assembly segment, and (b) normalization of these relative values such that the total power of all rings (intact tubes and U-Al-Cp meat-cladding mixtures, where Cp implies the neutron-capturing material) equals the DIF3D-calculated nodal power for the assembly axial segment.« less

Characterization of the NTPR and BD1 interacting domains of the human PICH-BEND3 complex.

PubMed

Pitchai, Ganesha P; Hickson, Ian D; Streicher, Werner; Montoya, Guillermo; Mesa, Pablo

2016-08-01

Chromosome integrity depends on DNA structure-specific processing complexes that resolve DNA entanglement between sister chromatids. If left unresolved, these entanglements can generate either chromatin bridging or ultrafine DNA bridging in the anaphase of mitosis. These bridge structures are defined by the presence of the PICH protein, which interacts with the BEND3 protein in mitosis. To obtain structural insights into PICH-BEND3 complex formation at the atomic level, their respective NTPR and BD1 domains were cloned, overexpressed and crystallized using 1.56 M ammonium sulfate as a precipitant at pH 7.0. The protein complex readily formed large hexagonal crystals belonging to space group P6122, with unit-cell parameters a = b = 47.28, c = 431.58 Å and with one heterodimer in the asymmetric unit. A complete multiwavelength anomalous dispersion (MAD) data set extending to 2.2 Å resolution was collected from a selenomethionine-labelled crystal at the Swiss Light Source.

Purification, crystallization and preliminary X-ray analysis of the BseCI DNA methyltransferase from Bacillus stearothermophilus in complex with its cognate DNA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kapetaniou, Evangelia G.; Kotsifaki, Dina; Providaki, Mary

2007-01-01

The DNA methyltransferase M.BseCI from B. stearothermophilus was crystallized as a complex with its cognate DNA. Crystals belong to space group P6 and diffract to 2.5 Å resolution at a synchrotron source. The DNA methyltransferase M.BseCI from Bacillus stearothermophilus (EC 2.1.1.72), a 579-amino-acid enzyme, methylates the N6 atom of the 3′ adenine in the sequence 5′-ATCGAT-3′. M.BseCI was crystallized in complex with its cognate DNA. The crystals were found to belong to the hexagonal space group P6, with unit-cell parameters a = b = 87.0, c = 156.1 Å, β = 120.0° and one molecule in the asymmetric unit. Twomore » complete data sets were collected at wavelengths of 1.1 and 2.0 Å to 2.5 and 2.8 Å resolution, respectively, using synchrotron radiation at 100 K.« less

Static High Pressure Structural studies on Dy to 119 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patterson, J R; Saw, C K; Akella, J

2003-11-12

Structural phase transitions in the rare-earth metal Dysprosium have been studied in a Diamond Anvil Cell (DAC) to 119 GPa by x-ray diffraction. Four transformations following the sequence hcp {yields} Sm-type {yields} dhcp {yields} hR24 (hexagonal) {yields} bcm (monoclinic) are observed at 6, 15, 43, and 73 GPa respectively. The hexagonal to monoclinic transformation is accompanied by a 6% reduction in volume, which is attributed to delocalization of the 4f electrons, similar to that seen in Ce, Pr, and Gd.

Hippocampal Spike-Timing Correlations Lead to Hexagonal Grid Fields

NASA Astrophysics Data System (ADS)

Monsalve-Mercado, Mauro M.; Leibold, Christian

2017-07-01

Space is represented in the mammalian brain by the activity of hippocampal place cells, as well as in their spike-timing correlations. Here, we propose a theory for how this temporal code is transformed to spatial firing rate patterns via spike-timing-dependent synaptic plasticity. The resulting dynamics of synaptic weights resembles well-known pattern formation models in which a lateral inhibition mechanism gives rise to a Turing instability. We identify parameter regimes in which hexagonal firing patterns develop as they have been found in medial entorhinal cortex.

Nanocrystalline hexagonal diamond formed from glassy carbon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiell, Thomas. B.; McCulloch, Dougal G.; Bradby, Jodie E.

Carbon exhibits a large number of allotropes and its phase behaviour is still subject to signifcant uncertainty and intensive research. The hexagonal form of diamond, also known as lonsdaleite, was discovered in the Canyon Diablo meteorite where its formation was attributed to the extreme conditions experienced during the impact. However, it has recently been claimed that lonsdaleite does not exist as a well-defned material but is instead defective cubic diamond formed under high pressure and high temperature conditions. Here we report the synthesis of almost pure lonsdaleite in a diamond anvil cell at 100GPa and 400 C. The nanocrystalline materialmore » was recovered at ambient and analysed using difraction and high resolution electron microscopy. We propose that the transformation is the result of intense radial plastic fow under compression in the diamond anvil cell, which lowers the energy barrier by locking in favourable stackings of graphene sheets. This strain induced transformation of the graphitic planes of the precursor to hexagonal diamond is supported by frst principles calculations of transformation pathways and explains why the new phase is found in an annular region. Furthermore, our findings establish that high purity lonsdaleite is readily formed under strain and hence does not require meteoritic impacts.« less

Nanocrystalline hexagonal diamond formed from glassy carbon

DOE PAGES

Shiell, Thomas. B.; McCulloch, Dougal G.; Bradby, Jodie E.; ...

2016-11-29

Carbon exhibits a large number of allotropes and its phase behaviour is still subject to signifcant uncertainty and intensive research. The hexagonal form of diamond, also known as lonsdaleite, was discovered in the Canyon Diablo meteorite where its formation was attributed to the extreme conditions experienced during the impact. However, it has recently been claimed that lonsdaleite does not exist as a well-defned material but is instead defective cubic diamond formed under high pressure and high temperature conditions. Here we report the synthesis of almost pure lonsdaleite in a diamond anvil cell at 100GPa and 400 C. The nanocrystalline materialmore » was recovered at ambient and analysed using difraction and high resolution electron microscopy. We propose that the transformation is the result of intense radial plastic fow under compression in the diamond anvil cell, which lowers the energy barrier by locking in favourable stackings of graphene sheets. This strain induced transformation of the graphitic planes of the precursor to hexagonal diamond is supported by frst principles calculations of transformation pathways and explains why the new phase is found in an annular region. Furthermore, our findings establish that high purity lonsdaleite is readily formed under strain and hence does not require meteoritic impacts.« less

Crashworthiness analysis on alternative square honeycomb structure under axial loading

NASA Astrophysics Data System (ADS)

Li, Meng; Deng, Zongquan; Guo, Hongwei; Liu, Rongqiang; Ding, Beichen

2013-07-01

Hexagonal metal honeycomb is widely used in energy absorption field for its special construction. However, many other metal honeycomb structures also show good energy absorption characteristics. Currently, most of the researches focus on hexagonal honeycomb, while few are performed into different honeycomb structures. Therefore, a new alternative square honeycomb is developed to expand the non-hexagonal metal honeycomb applications in the energy absorption fields with the aim of designing low mass and low volume energy absorbers. The finite element model of alternative square honeycomb is built to analyze its specific energy absorption property. As the diversity of honeycomb structure, the parameterized metal honeycomb finite element analysis program is conducted based on PCL language. That program can automatically create finite element model. Numerical results show that with the same foil thickness and cell length of metal honeycomb, the alternative square has better specific energy absorption than hexagonal honeycomb. Using response surface method, the mathematical formulas of honeycomb crashworthiness properties are obtained and optimization is done to get the maximum specific energy absorption property honeycomb. Optimal results demonstrate that to absorb same energy, alternative square honeycomb can save 10% volume of buffer structure than hexagonal honeycomb can do. This research is significant in providing technical support in the extended application of different honeycomb used as crashworthiness structures, and is absolutely essential in low volume and low mass energy absorber design.

Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu

2015-12-28

Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gapsmore » of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.« less

Crystal structure of κ-Ag2Mg5

NASA Astrophysics Data System (ADS)

Castro, Facundo J.; Primo, Gastón A.; Urretavizcaya, Guillermina

2018-02-01

The structure of κ-Ag2Mg5 has been refined based on X-ray powder diffraction measurements (Rwp = 0.083). The compound has been prepared by combining mechanical alloying techniques and thermal treatments. The intermetallic presents the prototypical structure of Co2Al5, an hexagonal crystal with the symmetries of space group P63/mmc, and belongs to the family of kappa-phase structure compounds. The unit cell dimensions are a=8.630(1) Å and c=8.914(1) Å. Five crystallographically independent sites are occupied, Wyckoff positions 12k, 6h and 2a are filled with Mg, another 6h site is occupied with Ag, and the 2c site presents mixed Ag/Mg occupancy. The crystal chemistry of the structure and bonding are briefly discussed in the paper.

Molecular Packing of Amiphiphiles with Crown Polar Heads at the Air-Water Interface

NASA Astrophysics Data System (ADS)

Larson, K.; Vaknin, D.; Villavicencio, O.; McGrath, D.; Tsukruk, V. V.

2002-03-01

An amphiphilic compound containing a benzyl-15-crown-5 focal point, azobenzene spacer, and a dodecyl tail as a peripheral group has been investigated at the air-water interface. X-ray grazing incident diffraction and reflectivity were preformed on the Langmuir monolayers to elucidate molecular packing and orientation. At high surface pressure, we observed intralayer packing of the alkyl tails with doubling parameters of the conventional orthorhombic unit cell (supercell) and long-range positional ordering. High tilt of the alkyl tails of about 58º from the surface normal was a signature of molecular packing caused by a large mismatch between the cross-sectional areas of the polar heads and the alkyl tail. Higher generation molecules of the same series display straight tail orientation and hexagonal lateral packing.

Lattice dynamics of the rare-earth element samarium

NASA Astrophysics Data System (ADS)

Bauder, Olga; Piekarz, Przemysław; Barla, Alessandro; Sergueev, Ilya; Rüffer, Rudolf; ŁaŻewski, Jan; Baumbach, Tilo; Parlinski, Krzysztof; Stankov, Svetoslav

2013-12-01

The lattice dynamics of samarium is determined by in situ low-temperature nuclear inelastic scattering on a single crystalline (0001)Sm film, a polycrystalline Sm foil, and by first-principles theory. The ab initio calculated phonon dispersion relations and phonon density of states for the Sm-type structure and the double hexagonal-close-packed (dhcp) lattice, characteristic for light lanthanides, are compared. The dhcp unit cell, which is a factor of 2.24 smaller in height, exhibits more pronounced vibrational anisotropy in comparison to the Sm-type structure. The analysis reveals a minor influence of the spin-orbit coupling in the Sm atom on the lattice dynamics. A broadening of the longitudinal peak, not found in the calculations, suggests the influence of electron correlations on lattice dynamics in metallic samarium.

Design, fabrication, test, and qualification and price analysis of third generation design solar cell modules

NASA Astrophysics Data System (ADS)

Shepard, N. F.

1980-03-01

The Block 4 shingle type module makes it possible to apply a photovoltaic array to the sloping roof of a residential building by simply nailing the overlapping hexagon shaped shingles to the plywood roof sheathing. This third-generation shingle module design consists of nineteen series connected 100 mm diameter solar cells which are arranged in a closely packed hexagon configuration to provide in excess of 75 watts/sq m of exposed module area under standard operating conditions. The solar cells are individually bonded to the embossed underside of a 4.4 mm thick thermally tempered piece of glass. An experimental silicone pottant was used as the transparent bonding adhesive between the cells and glass. The semi-flexible portion of each shingle module is a composite laminate construction consisting of an outer layer of FLEXSEAL bonded to an inner core of closed cell polyethylene foam. Silaprene is used as the substrate laminating adhesive. The module design has satisfactorily survived qualification testing program which includes 50 thermal cycles between -40 and +90 C, a seven day temperature-humidity exposure test, and a wind resistance test.

Design, fabrication, test, and qualification and price analysis of third generation design solar cell modules

NASA Technical Reports Server (NTRS)

Shepard, N. F.

1980-01-01

The Block 4 shingle type module makes it possible to apply a photovoltaic array to the sloping roof of a residential building by simply nailing the overlapping hexagon shaped shingles to the plywood roof sheathing. This third-generation shingle module design consists of nineteen series connected 100 mm diameter solar cells which are arranged in a closely packed hexagon configuration to provide in excess of 75 watts/sq m of exposed module area under standard operating conditions. The solar cells are individually bonded to the embossed underside of a 4.4 mm thick thermally tempered piece of glass. An experimental silicone pottant was used as the transparent bonding adhesive between the cells and glass. The semi-flexible portion of each shingle module is a composite laminate construction consisting of an outer layer of FLEXSEAL bonded to an inner core of closed cell polyethylene foam. Silaprene is used as the substrate laminating adhesive. The module design has satisfactorily survived qualification testing program which includes 50 thermal cycles between -40 and +90 C, a seven day temperature-humidity exposure test, and a wind resistance test.

Interface designed MoS2/GaAs heterostructure solar cell with sandwich stacked hexagonal boron nitride

PubMed Central

Lin, Shisheng; Li, Xiaoqiang; Wang, Peng; Xu, Zhijuan; Zhang, Shengjiao; Zhong, Huikai; Wu, Zhiqian; Xu, Wenli; Chen, Hongsheng

2015-01-01

MoS2 is a layered two-dimensional semiconductor with a direct band gap of 1.8 eV. The MoS2/bulk semiconductor system offers a new platform for solar cell device design. Different from the conventional bulk p-n junctions, in the MoS2/bulk semiconductor heterostructure, static charge transfer shifts the Fermi level of MoS2 toward that of bulk semiconductor, lowering the barrier height of the formed junction. Herein, we introduce hexagonal boron nitride (h-BN) into MoS2/GaAs heterostructure to suppress the static charge transfer, and the obtained MoS2/h-BN/GaAs solar cell exhibits an improved power conversion efficiency of 5.42%. More importantly, the sandwiched h-BN makes the Fermi level tuning of MoS2 more effective. By employing chemical doping and electrical gating into the solar cell device, PCE of 9.03% is achieved, which is the highest among all the reported monolayer transition metal dichalcogenide based solar cells. PMID:26458358

Crystalline structures of particles interacting through the harmonic-repulsive pair potential

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2017-09-01

The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the temperature of the systems decreases, the particles crystallize into complex structures whose formation has not been anticipated in previous studies on the harmonic-repulsive pair potential. In particular, at certain densities, crystallization into the structure I a 3 ¯ d (space group #230) with 16 particles in the unit cell occupying Wyckoff special positions (16b) was observed. This crystal structure has not been observed previously in experiments or in computer simulations of single component atomic or soft matter systems. At another density, we observed a liquid which is rather stable against crystallization. Yet, we observed crystallization of this liquid into the monoclinic C2/c (space group #15) structure with 32 particles in the unit cell occupying four different non-special Wyckoff (8f) sites. In this structure particles located at different Wyckoff sites have different energies. From the perspective of the local atomic environment, the organization of particles in this structure resembles the structure of some columnar quasicrystals. At a different value of the density, we did not observe crystallization at all despite rather long molecular dynamics runs. At two other densities, we observed the formation of the β S n distorted diamond structures instead of the expected diamond structure. Possibly, we also observed the formation of the R 3 ¯ c hexagonal lattice with 24 particles per unit cell occupying non-equivalent positions.

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

NASA Astrophysics Data System (ADS)

Yuan, Lihua; Kang, Long; Chen, Yuhong; Wang, Daobin; Gong, Jijun; Wang, Chunni; Zhang, Meiling; Wu, Xiaojuan

2018-03-01

Hydrogen storage capacity on Titanium (Ti) decorated porous graphene (PG) has been investigated using density functional theory simulations with generalized gradient approximation method. The possible adsorption sites of Ti atom on PG and electronic properties of Ti-PG system are also discussed.The results show a Ti atom prefers to strongly adsorb on the center site above the C hexagon with the binding energy of 3.65 eV, and the polarization and the hybridization mechanisms both contribute to the Ti atom adsorption on PG. To avoid a tendency of clustering among Ti atoms, the single side of the PG unit cell should only contain one Ti atom. For the single side of PG, four H2 molecules can be adsorbed around Ti atom, and the adsorption mechanism of H2 molecules come from not only the polarization mechanism between Ti and H atoms but also the orbital hybridization among Ti atom, H2 molecules and C atoms. For the case of double sides of PG, eight H2 molecules can be adsorbed on Ti-decorated PG unit cell with the average adsorption energy of -0.457 eV, and the gravimetric hydrogen storage capacity is 6.11 wt.%. Furthermore, ab inito molecular-dynaics simulation result shows that six H2 molecules can be adsorbed on double sides of unit cell of Ti-PG system and the configuration of Ti-PG is very stable at 300 K and without external pressure, which indicates Ti-decorated PG could be considered as a potential hydrogen storage medium at ambient conditions.

Synthesis of novel branched β-NaLuF4: Yb/Er upconversion luminescence material and investigation of its optical properties

NASA Astrophysics Data System (ADS)

Ding, Yanli; Yang, Tonghui; Yin, Naiqiang; Shu, Fangjie; Zhao, Ying; Zhang, Xiaodan

2018-05-01

Branched β-NaLuF4: Yb/Er was synthesized using a simple hydrothermal method by controlling the NaF/Ln molar ratio. In contrast to the β-NaYF4: Yb/Er hexagonal disks, the branched β-NaLuF4: Yb/Er has stronger emission intensity. The integrated intensities of green and red emission bands were as 6.2 and 3.3 times as that of NaYF4, respectively. The branched β-NaLuF4: Yb/Er has the smaller unit cell volume, the higher absorption intensity around 980 nm and the lower crystal field symmetry than NaYF4, which made a significant contribution to the stronger upconversion (UC) fluorescence emissions. The results indicate that the branched β-NaLuF4: Yb/Er is an excellent UC luminescence material. The current research has a great potential in improving near-infrared conversion efficiency of solar cells.

Single Sublattice Endotaxial Phase Separation Driven by Charge Frustration in a Complex Oxide

PubMed Central

2013-01-01

Complex transition-metal oxides are important functional materials in areas such as energy and information storage. The cubic ABO3 perovskite is an archetypal example of this class, formed by the occupation of small octahedral B-sites within an AO3 network defined by larger A cations. We show that introduction of chemically mismatched octahedral cations into a cubic perovskite oxide parent phase modifies structure and composition beyond the unit cell length scale on the B sublattice alone. This affords an endotaxial nanocomposite of two cubic perovskite phases with distinct properties. These locally B-site cation-ordered and -disordered phases share a single AO3 network and have enhanced stability against the formation of a competing hexagonal structure over the single-phase parent. Synergic integration of the distinct properties of these phases by the coherent interfaces of the composite produces solid oxide fuel cell cathode performance superior to that expected from the component phases in isolation. PMID:23750709

Selforganization of modular activity of grid cells

PubMed Central

Urdapilleta, Eugenio; Si, Bailu

2017-01-01

Abstract A unique topographical representation of space is found in the concerted activity of grid cells in the rodent medial entorhinal cortex. Many among the principal cells in this region exhibit a hexagonal firing pattern, in which each cell expresses its own set of place fields (spatial phases) at the vertices of a triangular grid, the spacing and orientation of which are typically shared with neighboring cells. Grid spacing, in particular, has been found to increase along the dorso‐ventral axis of the entorhinal cortex but in discrete steps, that is, with a modular structure. In this study, we show that such a modular activity may result from the self‐organization of interacting units, which individually would not show discrete but rather continuously varying grid spacing. Within our “adaptation” network model, the effect of a continuously varying time constant, which determines grid spacing in the isolated cell model, is modulated by recurrent collateral connections, which tend to produce a few subnetworks, akin to magnetic domains, each with its own grid spacing. In agreement with experimental evidence, the modular structure is tightly defined by grid spacing, but also involves grid orientation and distortion, due to interactions across modules. Thus, our study sheds light onto a possible mechanism, other than simply assuming separate networks a priori, underlying the formation of modular grid representations. PMID:28768062

Corrigendum to "Microstructural Characterization of Metal Foams: An Examination of the Applicability of the Theoretical Models for Modeling Foams"

NASA Technical Reports Server (NTRS)

Raj. Sai V.

2011-01-01

Establishing the geometry of foam cells is useful in developing microstructure-based acoustic and structural models. Since experimental data on the geometry of the foam cells are limited, most modeling efforts use an idealized three-dimensional, space-filling Kelvin tetrakaidecahedron. The validity of this assumption is investigated in the present paper. Several FeCrAlY foams with relative densities varying between 3 and 15% and cells per mm (c.p.mm.) varying between 0.2 and 3.9 c.p.mm. were microstructurally evaluated. The number of edges per face for each foam specimen was counted by approximating the cell faces by regular polygons, where the number of cell faces measured varied between 207 and 745. The present observations revealed that 50-57% of the cell faces were pentagonal while 24-28% were quadrilateral and 15-22% were hexagonal. The present measurements are shown to be in excellent agreement with literature data. It is demonstrated that the Kelvin model, as well as other proposed theoretical models, cannot accurately describe the FeCrAlY foam cell structure. Instead, it is suggested that the ideal foam cell geometry consists of 11 faces with 3 quadrilateral, 6 pentagonal faces and 2 hexagonal faces consistent with the 3-6-2 Matzke cell

The histopathological effect of intracameral ropivacaine in different concentrations on corneal endothelium.

PubMed

Caça, Ihsan; Kavak, Vatan; Unlü, Kaan; Ari, Seyhmus; Nergis, Yusuf; Take, Gülnür

2006-01-01

We evaluated the histopathological changes occurring in corneal endothelium after intracameral injection ropivacaine into rats. Intracamerally administered ropivacaine in 1, 0.5, and 0.1% concentrations resulted in impairment of hexagonal structure of corneal endothelial cells and intercellular junctions, destruction of microvilli on the cell surface, roughness of cell borders, picnotic nucleus, diffuse vacuolization, and crystalysis in mitochondria.

Woolly erionite from the Reese River zeolite deposit, Lander County, Nevada, and its relationship to other erionites

USGS Publications Warehouse

Gude, Arthur J.; Sheppard, Richard A.

1981-01-01

Woolly erionite from the Reese River deposit, Nevada, is identical in appearance to that at the type locality, near Durkee, Oregon. Both of these erionites differ in appearance from all other erionite reported in the past 20 years from diverse rocks throughout the world which are described as prismatic or acicular in habit. The non-woolly erionites are especially common as microscopic crystals in diagenetically altered vitroclastic lacustrine deposits of Cenozoic age. The Reese River woolly erionite fills joints in gray to brownish-gray lacustrine mudstone of probably Pliocene age, in a zone about 1 m thick beneath a conspicuous gray vitric tuff. Compact masses of long, curly, woolly erionite fibers are in the plane of the joint and locally are associated with opal. Indices of refraction are ω = 1.468 and ε = 1.472; hexagonal unit-cell parameters are a = 13.186(2) Å, c = 15.055(1) Å, and V = 2267.1(0.9) Å3. A chemical analysis of woolly erionite yields a unit-cell composition of: Na1.01K2.84Mg0.3Ca1.69Al8.18Si27.84O72 · 28.51H2O.

Single-layer ZnS supported on Au(111): A combined XPS, LEED, STM and DFT study

DOE PAGES

Deng, Xingyi; Sorescu, Dan C.; Lee, Junseok

2016-12-31

Single-layer of ZnS, consisting of one atomic layer of ZnS(111) plane, has been grown on Au(111) and characterized using X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). While the LEED measurement indicates a coincidence structure of ZnS-(3×3)/Au(111)-(4×4), high resolution STM images reveal hexagonal unit cells of 6.7×6.7 Å 2 and 11.6×11.6 Å 2, corresponding to √3 and 3 times the unit cell of the ideal zincblende ZnS-(1×1), respectively, depending on the tunneling conditions. Calculations based on density functional theory (DFT) indicate a significantly reconstructed non-planar structure of ZnS single-layer on Au(111) with 2/3 ofmore » the S anions being located nearly in the plane of the Zn cations and the rest 1/3 of the S anions protruding above the Zn plane. In conclusion, the calculated STM image shows similar characteristics to those of the experimental STM image. Additionally, the DFT calculations reveal the different bonding nature of the S anions in ZnS single-layer supported on Au(111).« less

A selection principle for Benard-type convection

NASA Technical Reports Server (NTRS)

Knightly, G. H.; Sather, D.

1985-01-01

In a Benard-type convection problem, the stationary flows of an infinite layer of fluid lying between two rigid horizontal walls and heated uniformly from below are determined. As the temperature difference across the layer increases beyond a certain value, other convective motions appear. These motions are often cellular in character in that their streamlines are confined to certain well-defined cells having, for example, the shape of rolls or hexagons. A selection principle that explains why hexagonal cells seem to be preferred for certain ranges of the parameters is formulated. An operator-theoretical formulation of one generalized Bernard problem is given. The infinite dimensional problem is reduced to one of solving a finite dimensional system of equations, namely, the selection equations. These equations are solved and a linearized stability analysis of the resultant stationary flows is presented.

A selection principle in Benard-type convection

NASA Technical Reports Server (NTRS)

Knightly, G. H.; Sather, D.

1983-01-01

In a Benard-type convection problem, the stationary flows of an infinite layer of fluid lying between two rigid horizontal walls and heated uniformly from below are determined. As the temperature difference across the layer increases beyond a certain value, other convective motions appear. These motions areoften cellular in character in that their streamlines are confined to certain well-defined cells having, for example, the shape of rolls or hexagons. A selection principle that explains why hexagonal cells seem to be preferred for certain ranges of the parameters is formulated. An operator-theoretical formulation of one generalized Bernard problem is given. The infinite dimensional problem is reduced to one of solving a finite dimensional system of equations, namely, the selection equations. These equations are solved and a linearized stability analysis of the resultant stationary flows is presented.

Cu6Sn5 Whiskers Precipitated in Sn3.0Ag0.5Cu/Cu Interconnection in Concentrator Silicon Solar Cells Solder Layer

PubMed Central

Zhang, Liang; Liu, Zhi-quan; Yang, Fan; Zhong, Su-juan

2017-01-01

Cu6Sn5 whiskers precipitated in Sn3.0Ag0.5Cu/Cu interconnection in concentrator silicon solar cells solder layer were found and investigated after reflow soldering and during aging. Ag3Sn fibers can be observed around Cu6Sn5 whiskers in the matrix microstructure, which can play an active effect on the reliability of interconnection. Different morphologies of Cu6Sn5 whiskers can be observed, and hexagonal rod structure is the main morphology of Cu6Sn5 whiskers. A hollow structure can be observed in hexagonal Cu6Sn5 whiskers, and a screw dislocation mechanism was used to represent the Cu6Sn5 growth. Based on mechanical property testing and finite element simulation, Cu6Sn5 whiskers were regarded as having a negative effect on the durability of Sn3.0Ag0.5Cu/Cu interconnection in concentrator silicon solar cells solder layer. PMID:28772686

A new sampling scheme for tropical forest monitoring using satellite imagery

Treesearch

Frederic Achard; Tim Richards; Javier Gallego

2000-01-01

At the global level, a sampling scheme for tropical forest change assessment, using high resolution satellite images, has been defined using sampling units independent of any particular satellite sensor. For this purpose, a sampling frame has been chosen a hexagonal tessellation of 3,600 km².

Long-term corneal endothelial cell changes in pediatric intraocular lens reposition and exchange cases.

PubMed

Wang, Yan; Wu, Mingxing; Zhu, Liyuan; Liu, Yizhi

2012-04-01

To evaluate long-term corneal endothelial cell changes of intraocular lens (IOL) reposition and exchange in children. State key Laboratory of Ophthalmology, Zhongshan Ophthalmic Center, Sun Yat-sen University, Guangzhou, 510060, China In this retrospective study, all IOL reposition and exchange procedures performed in patients under 14 years old between January 1999 and April 2009 were included. Follow-up outcomes included corneal endothelial cell density, hexagonality, coefficient of variance, average cell size. IOL reposition procedures in 12 eyes (12 cases) (reposition group, RPG), and IOL exchanges in eight eyes (eight cases) (exchange group, EXG) were performed because of IOL pupillary capture or IOL dislocation. Median of follow-up was 44.5 months in RPG and 66.2 months in EXG. The density of corneal endothelial cells in RPG (2,053 ± 493/mm(2)) and EXG (2,100 ± 758/mm(2)) was significantly decreased in comparison to the control eyes (3,116 ± 335/mm(2)). Hexagonality of corneal endothelial cells and coefficient of variance showed no difference among the control group, RPG and EXG (P > 0.05). The density of corneal endothelial cells was conspicuously decreased after IOL reposition or exchange procedures in childhood cases. Longer follow-up must be conducted in these cases.

Mechanical response of spiral interconnect arrays for highly stretchable electronics

NASA Astrophysics Data System (ADS)

Qaiser, N.; Khan, S. M.; Nour, M.; Rehman, M. U.; Rojas, J. P.; Hussain, M. M.

2017-11-01

A spiral interconnect array is a commonly used architecture for stretchable electronics, which accommodates large deformations during stretching. Here, we show the effect of different geometrical morphologies on the deformation behavior of the spiral island network. We use numerical modeling to calculate the stresses and strains in the spiral interconnects under the prescribed displacement of 1000 μm. Our result shows that spiral arm elongation depends on the angular position of that particular spiral in the array. We also introduce the concept of a unit-cell, which fairly replicates the deformation mechanism for full complex hexagon, diamond, and square shaped arrays. The spiral interconnects which are axially connected between displaced and fixed islands attain higher stretchability and thus experience the maximum deformations. We perform tensile testing of 3D printed replica and find that experimental observations corroborate with theoretical study.

Thermoluminescence property of nano scale Al{sub 2}O{sub 3}: C by combustion method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bharthasaradhi, R.; Nehru, L. C.

In this study, thermoluminescence dosimetry material of carbon doped aluminium oxide by combustion method using Aluminium nitrate and Glycine. The Structure of the prepared Sample was carried out by XRD. The sample was nano crystalline in nature. Having hexagonal structure with unit cell parameters a=4.75Å, C=12.99Å. The surface morphology of the prepared nanopowder was carried out through (SEM). The morphology of the prepared sample is platelet structure and functional group analysis carried out through FT-IR Spectrum. The prepared sample was irradiated through γ-ray CO{sup 60} (100 Gy) was used as γ-ray source. The thermoluminescence glow curve of the irradiated samplemore » showed an isolated peak at around 200°C. The result suggest the prepared nanopowder is suitable for medical radiation dosimetry.« less

Can Retinal Ganglion Cell Dipoles Seed Iso-Orientation Domains in the Visual Cortex?

PubMed Central

Schottdorf, Manuel; Eglen, Stephen J.; Wolf, Fred; Keil, Wolfgang

2014-01-01

It has been argued that the emergence of roughly periodic orientation preference maps (OPMs) in the primary visual cortex (V1) of carnivores and primates can be explained by a so-called statistical connectivity model. This model assumes that input to V1 neurons is dominated by feed-forward projections originating from a small set of retinal ganglion cells (RGCs). The typical spacing between adjacent cortical orientation columns preferring the same orientation then arises via Moiré-Interference between hexagonal ON/OFF RGC mosaics. While this Moiré-Interference critically depends on long-range hexagonal order within the RGC mosaics, a recent statistical analysis of RGC receptive field positions found no evidence for such long-range positional order. Hexagonal order may be only one of several ways to obtain spatially repetitive OPMs in the statistical connectivity model. Here, we investigate a more general requirement on the spatial structure of RGC mosaics that can seed the emergence of spatially repetitive cortical OPMs, namely that angular correlations between so-called RGC dipoles exhibit a spatial structure similar to that of OPM autocorrelation functions. Both in cat beta cell mosaics as well as primate parasol receptive field mosaics we find that RGC dipole angles are spatially uncorrelated. To help assess the level of these correlations, we introduce a novel point process that generates mosaics with realistic nearest neighbor statistics and a tunable degree of spatial correlations of dipole angles. Using this process, we show that given the size of available data sets, the presence of even weak angular correlations in the data is very unlikely. We conclude that the layout of ON/OFF ganglion cell mosaics lacks the spatial structure necessary to seed iso-orientation domains in the primary visual cortex. PMID:24475081

Can retinal ganglion cell dipoles seed iso-orientation domains in the visual cortex?

PubMed

Schottdorf, Manuel; Eglen, Stephen J; Wolf, Fred; Keil, Wolfgang

2014-01-01

It has been argued that the emergence of roughly periodic orientation preference maps (OPMs) in the primary visual cortex (V1) of carnivores and primates can be explained by a so-called statistical connectivity model. This model assumes that input to V1 neurons is dominated by feed-forward projections originating from a small set of retinal ganglion cells (RGCs). The typical spacing between adjacent cortical orientation columns preferring the same orientation then arises via Moiré-Interference between hexagonal ON/OFF RGC mosaics. While this Moiré-Interference critically depends on long-range hexagonal order within the RGC mosaics, a recent statistical analysis of RGC receptive field positions found no evidence for such long-range positional order. Hexagonal order may be only one of several ways to obtain spatially repetitive OPMs in the statistical connectivity model. Here, we investigate a more general requirement on the spatial structure of RGC mosaics that can seed the emergence of spatially repetitive cortical OPMs, namely that angular correlations between so-called RGC dipoles exhibit a spatial structure similar to that of OPM autocorrelation functions. Both in cat beta cell mosaics as well as primate parasol receptive field mosaics we find that RGC dipole angles are spatially uncorrelated. To help assess the level of these correlations, we introduce a novel point process that generates mosaics with realistic nearest neighbor statistics and a tunable degree of spatial correlations of dipole angles. Using this process, we show that given the size of available data sets, the presence of even weak angular correlations in the data is very unlikely. We conclude that the layout of ON/OFF ganglion cell mosaics lacks the spatial structure necessary to seed iso-orientation domains in the primary visual cortex.

Microstructural Characterization of Metal Foams: An Examination of the Applicability of the Theoretical Models for Modeling Foams

NASA Technical Reports Server (NTRS)

Raj, S. V.

2010-01-01

Establishing the geometry of foam cells is useful in developing microstructure-based acoustic and structural models. Since experimental data on the geometry of the foam cells are limited, most modeling efforts use the three-dimensional, space-filling Kelvin tetrakaidecahedron. The validity of this assumption is investigated in the present paper. Several FeCrAlY foams with relative densities varying between 3 and 15 percent and cells per mm (c.p.mm.) varying between 0.2 and 3.9 c.p.mm. were microstructurally evaluated. The number of edges per face for each foam specimen was counted by approximating the cell faces by regular polygons, where the number of cell faces measured varied between 207 and 745. The present observations revealed that 50 to 57 percent of the cell faces were pentagonal while 24 to 28 percent were quadrilateral and 15 to 22 percent were hexagonal. The present measurements are shown to be in excellent agreement with literature data. It is demonstrated that the Kelvin model, as well as other proposed theoretical models, cannot accurately describe the FeCrAlY foam cell structure. Instead, it is suggested that the ideal foam cell geometry consists of 11 faces with 3 quadrilateral, 6 pentagonal faces and 2 hexagonal faces consistent with the 3-6-2 cell.

Expression, purification and preliminary X-ray characterization of dl-2-haloacid dehalogenase from Methylobacterium sp. CPA1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Omi, Rie; Department of Chemistry, Graduate School of Science, Osaka City University, Sumiyoshi-ku, Osaka 558-8585; Jitsumori, Keiji

A recombinant form of dl-2-haloacid dehalogenase from Methylobacterium sp. CPA1 has been expressed in E. coli, purified and crystallized. The crystal belongs to space group P6{sub 3}. Diffraction data have been collected to 1.75 Å resolution. dl-2-Haloacid dehalogenase from Methylobacterium sp. CPA1 (dl-DEX Mb) is a unique enzyme that catalyzes the dehalogenation reaction without the formation of an ester intermediate. A recombinant form of dl-DEX Mb has been expressed in Escherichia coli, purified and crystallized using the hanging-drop vapour-diffusion method. The crystal belongs to the hexagonal space group P6{sub 3}, with unit-cell parameters a = b = 186.2, c =more » 114.4 Å. The crystals are likely to contain between four and eight monomers in the asymmetric unit, with a V{sub M} value of 4.20–2.10 Å{sup 3} Da{sup −1}. A self-rotation function revealed peaks on the χ = 180° section. X-ray data have been collected to 1.75 Å resolution.« less

Solvent induced modifications to fiber nanostructure and morphology for 12HSA molecular gels

NASA Astrophysics Data System (ADS)

Gao, Jie

Molecular organogels are thermo reversible quasi-solid materials, which are formed by low molecular weight organogelators (LMOGs) undergoing supramolecular aggregation via non-covalent interactions, forming a three-dimensional fibrillar network. Numerous applications of molecular organogels are been investigated as edible oils, drug release matrices and personal care products. The chemistry of the organic phase (i.e., solvent) influences every level of structure in organogels. Different solvents induce LMOG to assemble into "crystal like" fibers, which have more than one crystal form, lamellar arrangement and domain size. Differences in these solid states are known to affect the macroscopic properties of the gel, including critical gelator concentration (CGC), melting point, melting enthalpy and opacity.12-hydroxystearic acid (12HSA) was examined in several classes of organic solvents with different function groups. These gels, sols or precipitates were analyzed using a series of techniques including: powder x-ray diffraction (XRD), differential scanning calorimetry (DSC), fourier-transform infrared spectroscopy (FT-IR), pulsed nuclear magnetic resonance spectroscopy (pNMR) and microscopy. Specifically, certain solvents caused 12HSA to self-assemble into a triclinic parallel polymorphic form with subcell spacing of ~4.6, 3.9, and 3.8 A and an interdigitated unit cell with a lamellar arrangement (38~44 A). This polymorphic form corresponded to a less effective sphereultic supramolecular crystalline network, which immobilizes solvents at CGC greater than 1.5 wt %. The other group of solvents induce a hexagonal subcell spacing (i.e., unit sub cell spacing ~4.1 A) and are arranged in a multi lamellar fashion with a unit cell greater than the bimolecular length of 12HSA (~54 A).This polymorphic form corresponds to fibrillar aggregates with a CGC less than 1 wt %.

Crystallization and preliminary X-ray data of the FadA adhesin from Fusobacterium nucleatum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nithianantham, Stanley; Xu, Minghua; Wu, Nan

2006-12-01

The FadA adhesin from F. nucleatum, which is involved in bacterial attachment and invasion of human oral epithelial cells, has been crystallized in space group P6{sub 1} or P6{sub 5}, and X-ray data have been collected to 1.9 Å resolution. Fusobacterium nucleatum is a Gram-negative anaerobe prevalent in the oral cavity that is associated with periodontal disease, preterm birth and infections in other parts of the human body. The bacteria attach to and invade epithelial and endothelial cells in the gum tissue and elsewhere via a 13.7 kDa adhesin protein FadA (Fusobacterium adhesin A). FadA exists in two forms: themore » intact form (pre-FadA), consisting of 129 amino acids, and the mature form (mFadA), which lacks an 18-residue signal sequence. Both forms have been expressed in Escherichia coli and purified. mFadA has been crystallized. The crystals belong to the hexagonal space group P6{sub 1} or P6{sub 5}, with unit-cell parameters a = b = 59.3, c = 125.7 Å and one molecule per asymmetric unit. The crystals exhibit an unusually high solvent content of 74%. Synchrotron X-ray data have been collected to 1.9 Å. The crystals are suitable for X-ray structure determination. The crystal structure of FadA may provide a basis for the development of therapeutic agents to combat periodontal disease and other infections associated with F. nucleatum.« less

Design, synthesis and photoelectrochemical properties of hexagonal metallomacrocycles based on triphenylamine: [M6(4,4'-bis(2,2':6',2''-terpyridinyl)triphenylamine)6(X)12]; [M = Fe(II), PF6- and Zn(II), BF4-].

PubMed

Hwang, Seok-Ho; Moorefield, Charles N; Wang, Pingshan; Fronczek, Frank R; Courtney, Brandy H; Newkome, George R

2006-08-07

Synthesis of a novel bis(terpyridine) ligand, 4,4'-bis(2,2':6',2''-terpyridinyl)triphenylamine, utilizing triphenylamine, as a specific angle controller, has led to the self-assembly of a unique hexagonal metallomacrocycle family, [Fe6(2)6(PF6)12] and [Zn6(2)6(BF4)12], utilizing terpyridine-metal(II)-terpyridine connectivity. The crystal structure of the novel ligand shows that the angle between the two terpyridinyl moieties is 119.69 degrees , which enabled the formation of the hexagonal-shaped macrocycles. The crystal packing architectures of this starting ligand revealed channels induced by solvent encapsulation. Following complexation of this ligand with transition metals [Fe(II) or Zn(II)] in a one-pot reaction, the resultant structures were characterized by (1)H and (13)C NMR, UV/Vis and mass spectroscopies. The expected metal-to-ligand charge transfer (MLCT; lambda(max) = 582 nm) and emission (lambda(em) = 575 nm) characteristics were exhibited by both [Fe6(2)6(PF6)12] and[Zn6(2)6(BF4)12]. The photoelectrochemical characteristics of these hexagonal metallomacrocycles demonstrate that they can be used as sensitizers in dye-sensitized solar cells.

Random location of fuel treatments in wildland community interfaces: a percolation approach

Treesearch

Michael Bevers; Philip N. Omi; John G. Hof

2004-01-01

We explore the use of spatially correlated random treatments to reduce fuels in landscape patterns that appear somewhat natural while forming fully connected fuelbreaks between wildland forests and developed protection zones. From treatment zone maps partitioned into grids of hexagonal forest cells representing potential treatment sites, we selected cells to be treated...

A history of gap junction structure: hexagonal arrays to atomic resolution.

PubMed

Grosely, Rosslyn; Sorgen, Paul L

2013-02-01

Gap junctions are specialized membrane structures that provide an intercellular pathway for the propagation and/or amplification of signaling cascades responsible for impulse propagation, cell growth, and development. Prior to the identification of the proteins that comprise gap junctions, elucidation of channel structure began with initial observations of a hexagonal nexus connecting apposed cellular membranes. Concomitant with technological advancements spanning over 50 years, atomic resolution structures are now available detailing channel architecture and the cytoplasmic domains that have helped to define mechanisms governing the regulation of gap junctions. Highlighted in this review are the seminal structural studies that have led to our current understanding of gap junction biology.

Green synthesis and characterization of zinc oxide nanoparticle using insulin plant (Costus pictus D. Don) and investigation of its antimicrobial as well as anticancer activities

NASA Astrophysics Data System (ADS)

Suresh, Joghee; Pradheesh, Ganeshan; Alexramani, Vincent; Sundrarajan, Mahalingam; Hong, Sun Ig

2018-03-01

In this work we aim to synthesize biocompatible ZnO nanoparticles from the zinc nitrate via green process using leaf extracts of the Costus pictus D. Don medicinal plant. FTIR studies confirm the presence of biomolecules and metal oxides. X-ray diffraction (XRD) structural analysis reveals the formation of pure hexagonal phase structures of ZnO nanoparticles. The surface morphologies of ZnO nanoparticles observed under a scanning electron microscope (SEM) suggest that most ZnO crystallites are hexagonal. EDX analysis confirms the presence of primarily zinc and oxygen. TEM images show that biosynthesized zinc oxide nanoparticles are hexagonal and spherical. The plausible formation mechanisms of zinc oxide nanoparticles are also predicted. The biosynthesized zinc oxide nanoparticles exhibit strong antimicrobial behavior against bacterial and fungal species when employing the agar diffusion method. Synthesized ZnO nanoparticles exhibit anticancer activity against Daltons lymphoma ascites (DLA) cells as well as antimicrobial activity against some bacterial and fungal strains.

The viability of MCM-41 as separator in secondary alkaline cells

NASA Astrophysics Data System (ADS)

Meskon, S. R.; Othman, R.; Ani, M. H.

2018-01-01

The viability of MCM-41 membrane as a separator material in secondary alkaline cell is investigated. The inorganic membrane was employed in an alkaline nickel-zinc system. MCM-41 mesoporous material consists of arrays of hexagonal nano-pore channels. The membrane was synthesized using sol-gel route from parent solution comprising of quarternary ammonium surfactant, cethyltrimethylammonium bromide C16H33(CH3)3NBr (CTAB), hydrochloric acid (HCl), deionized water (H2O), ethanol (C2H5OH), and tetraethylortosilicate (TEOS). Both the anodic zinc/zinc oxide and cathodic nickel hydroxide electrodeposited film were coated with MCM-41 membrane. The Ni/MCM-41/Zn alkaline cell was then subjected to 100-cycle durability test and the structural stability of MCM-41 separator throughout the progression of the charge-discharge cycles is studied. X-ray diffraction (XRD) analysis on the dismantled cell shows that MCM-41 began to transform to lamellar MCM-50 on the 5th cycle and transformed almost completely on the 25th cycle. The phase transformation of MCM-41 hexagonal structure into gel-like MCM-50 prevents the mesoporous cell separator from diminished in the caustic alkaline surround. This work has hence demonstrated MCM-41 membrane is viable to be employed in secondary alkaline cells.

A Mobile Anchor Assisted Localization Algorithm Based on Regular Hexagon in Wireless Sensor Networks

PubMed Central

Rodrigues, Joel J. P. C.

2014-01-01

Localization is one of the key technologies in wireless sensor networks (WSNs), since it provides fundamental support for many location-aware protocols and applications. Constraints of cost and power consumption make it infeasible to equip each sensor node in the network with a global position system (GPS) unit, especially for large-scale WSNs. A promising method to localize unknown nodes is to use several mobile anchors which are equipped with GPS units moving among unknown nodes and periodically broadcasting their current locations to help nearby unknown nodes with localization. This paper proposes a mobile anchor assisted localization algorithm based on regular hexagon (MAALRH) in two-dimensional WSNs, which can cover the whole monitoring area with a boundary compensation method. Unknown nodes calculate their positions by using trilateration. We compare the MAALRH with HILBERT, CIRCLES, and S-CURVES algorithms in terms of localization ratio, localization accuracy, and path length. Simulations show that the MAALRH can achieve high localization ratio and localization accuracy when the communication range is not smaller than the trajectory resolution. PMID:25133212

Structure and Stoichiometry of MgxZny in Hot-Dipped Zn-Mg-Al Coating Layer on Interstitial-Free Steel

NASA Astrophysics Data System (ADS)

Kim, Jaenam; Lee, Chongsoo; Jin, Youngsool

2018-03-01

Correlations of stoichiometry and phase structure of MgxZny in hot-dipped Zn-Mg-Al coating layer which were modified by additive element have been established on the bases of diffraction and phase transformation principles. X-ray diffraction (XRD) results showed that MgxZny in the Zn-Mg-Al coating layers consist of Mg2Zn11 and MgZn2. The additive elements had a significant effect on the phase fraction of Mg2Zn11 while the Mg/Al ratio had a negligible effect. Transmission electron microscope (TEM) assisted selected area electron diffraction (SAED) results of small areas MgxZny were indexed dominantly as MgZn2 which have different Mg/Zn stoichiometry between 0.10 and 0.18. It is assumed that the MgxZny have deviated stoichiometry of the phase structure with additive element. The deviated Mg2Zn11 phase structure was interpreted as base-centered orthorhombic by applying two theoretical validity: a structure factor rule explained why the base-centered orthorhombic Mg2Zn11 has less reciprocal lattice reflections in the SAED compared to hexagonal MgZn2, and a phase transformation model elucidated its reasonable lattice point sharing of the corresponding unit cell during hexagonal MgZn2 (a, b = 0.5252 nm, c = 0.8577 nm) transform to intermediate tetragonal and final base-centered orthorhombic Mg2Zn11 (a = 0.8575 nm, b = 0.8874 nm, c = 0.8771 nm) in the equilibrium state.

Interaction of multiferroic properties and interfaces in hexagonal LuMnO3 ceramics

NASA Astrophysics Data System (ADS)

Baghizadeh, A.; Vieira, J. M.; Stroppa, D. G.; Mirzadeh Vaghefi, P.; Graça, M. P.; Amaral, J. S.; Willinger, M.-G.; Amaral, V. S.

2017-02-01

A study on the underlying interaction mechanisms between lattice constants, magnetic and dielectric properties with inhomogeneities or internal interfaces in hexagonal, off-stoichiometric LuMnO3 oxide is presented. By increasing Mn content the a-axis constant and volume of the unit cell, the antiferromagnetic (AFM) Néel temperature, T N, and frustration factor of the frustrated Mn3+ trimmers in basal plane show decreasing trends. It was found that increasing the annealing time improves the properties of the lattices and progressively eliminates secondary phases for compositions within the solid solution stability limits. A magnetic contribution below T N is observed for all samples. Two regimes of magnetization below and above 45 K were observed in the AFM state. The magnetic contribution below T N is assigned to either the secondary phase or internal interfaces like ferroelectric (FE) domain walls. Magneto-dielectric coupling at T N is preserved in off-stoichiometric ceramics. The presence of a low temperature anomaly of the dielectric constant is correlated to the composition of the solid solution in off-stoichiometric ceramics. Large FE domains are observed in piezoresponse force microscopy (PFM) images of doped and un-doped ceramics, whereas atomic structure analysis indicates the parallel formation of nano-sized FE domains. A combination of measured properties and microscopy images of micron- and nano-sized domains ascertain the role of lattice distortion and stability of solid solution on multiferroic properties.

Self-patterning Gd nano-fibers in Mg-Gd alloys

DOE PAGES

Li, Yangxin; Wang, Jian; Chen, Kaiguo; ...

2016-12-07

Manipulating the shape and distribution of strengthening units, e.g. particles, fibers, and precipitates, in a bulk metal, has been a widely applied strategy of tailoring their mechanical properties. Here, we report self-assembled patterns of Gd nano-fibers in Mg-Gd alloys for the purpose of improving their strength and deformability. 1-nm Gd nano-fibers, with amore » $$\\langle$$c$$\\rangle$$ -rod shape, are formed and hexagonally patterned in association with Gd segregations along dislocations that nucleated during hot extrusion. Such Gd-fiber patterns are able to regulate the relative activities of slips and twinning, as a result, overcome the inherent limitations in strength and ductility of Mg alloys. Finally, this nano-fiber patterning approach could be an effective method to engineer hexagonal metals.« less

Self-patterning Gd nano-fibers in Mg-Gd alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yangxin; Wang, Jian; Chen, Kaiguo

Manipulating the shape and distribution of strengthening units, e.g. particles, fibers, and precipitates, in a bulk metal, has been a widely applied strategy of tailoring their mechanical properties. Here, we report self-assembled patterns of Gd nano-fibers in Mg-Gd alloys for the purpose of improving their strength and deformability. 1-nm Gd nano-fibers, with amore » $$\\langle$$c$$\\rangle$$ -rod shape, are formed and hexagonally patterned in association with Gd segregations along dislocations that nucleated during hot extrusion. Such Gd-fiber patterns are able to regulate the relative activities of slips and twinning, as a result, overcome the inherent limitations in strength and ductility of Mg alloys. Finally, this nano-fiber patterning approach could be an effective method to engineer hexagonal metals.« less

Finite element study of scaffold architecture design and culture conditions for tissue engineering.

PubMed

Olivares, Andy L; Marsal, Elia; Planell, Josep A; Lacroix, Damien

2009-10-01

Tissue engineering scaffolds provide temporary mechanical support for tissue regeneration and transfer global mechanical load to mechanical stimuli to cells through its architecture. In this study the interactions between scaffold pore morphology, mechanical stimuli developed at the cell microscopic level, and culture conditions applied at the macroscopic scale are studied on two regular scaffold structures. Gyroid and hexagonal scaffolds of 55% and 70% porosity were modeled in a finite element analysis and were submitted to an inlet fluid flow or compressive strain. A mechanoregulation theory based on scaffold shear strain and fluid shear stress was applied for determining the influence of each structures on the mechanical stimuli on initial conditions. Results indicate that the distribution of shear stress induced by fluid perfusion is very dependent on pore distribution within the scaffold. Gyroid architectures provide a better accessibility of the fluid than hexagonal structures. Based on the mechanoregulation theory, the differentiation process in these structures was more sensitive to inlet fluid flow than axial strain of the scaffold. This study provides a computational approach to determine the mechanical stimuli at the cellular level when cells are cultured in a bioreactor and to relate mechanical stimuli with cell differentiation.

3D Biomimetic Magnetic Structures for Static Magnetic Field Stimulation of Osteogenesis.

PubMed

Paun, Irina Alexandra; Popescu, Roxana Cristina; Calin, Bogdan Stefanita; Mustaciosu, Cosmin Catalin; Dinescu, Maria; Luculescu, Catalin Romeo

2018-02-07

We designed, fabricated and optimized 3D biomimetic magnetic structures that stimulate the osteogenesis in static magnetic fields. The structures were fabricated by direct laser writing via two-photon polymerization of IP-L780 photopolymer and were based on ellipsoidal, hexagonal units organized in a multilayered architecture. The magnetic activity of the structures was assured by coating with a thin layer of collagen-chitosan-hydroxyapatite-magnetic nanoparticles composite. In vitro experiments using MG-63 osteoblast-like cells for 3D structures with gradients of pore size helped us to find an optimum pore size between 20-40 µm. Starting from optimized 3D structures, we evaluated both qualitatively and quantitatively the effects of static magnetic fields of up to 250 mT on cell proliferation and differentiation, by ALP (alkaline phosphatase) production, Alizarin Red and osteocalcin secretion measurements. We demonstrated that the synergic effect of 3D structure optimization and static magnetic stimulation enhances the bone regeneration by a factor greater than 2 as compared with the same structure in the absence of a magnetic field.

3D Biomimetic Magnetic Structures for Static Magnetic Field Stimulation of Osteogenesis

PubMed Central

Paun, Irina Alexandra; Popescu, Roxana Cristina; Calin, Bogdan Stefanita; Mustaciosu, Cosmin Catalin; Dinescu, Maria; Luculescu, Catalin Romeo

2018-01-01

We designed, fabricated and optimized 3D biomimetic magnetic structures that stimulate the osteogenesis in static magnetic fields. The structures were fabricated by direct laser writing via two-photon polymerization of IP-L780 photopolymer and were based on ellipsoidal, hexagonal units organized in a multilayered architecture. The magnetic activity of the structures was assured by coating with a thin layer of collagen-chitosan-hydroxyapatite-magnetic nanoparticles composite. In vitro experiments using MG-63 osteoblast-like cells for 3D structures with gradients of pore size helped us to find an optimum pore size between 20–40 µm. Starting from optimized 3D structures, we evaluated both qualitatively and quantitatively the effects of static magnetic fields of up to 250 mT on cell proliferation and differentiation, by ALP (alkaline phosphatase) production, Alizarin Red and osteocalcin secretion measurements. We demonstrated that the synergic effect of 3D structure optimization and static magnetic stimulation enhances the bone regeneration by a factor greater than 2 as compared with the same structure in the absence of a magnetic field. PMID:29414875

Crystallization and preliminary X-ray diffraction analysis of P30, the transmembrane domain of pertactin, an autotransporter from Bordetella pertussis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yanshi; Black, Isobel; Roszak, Aleksander W.

2007-07-01

P30, the transmembrane C-terminal domain of pertactin from B. pertussis has been crystallized after refolding in vitro. Preliminary X-ray crystallographic data are reported. P30, the 32 kDa transmembrane C-terminal domain of pertactin from Bordetella pertussis, is supposed to form a β-barrel inserted into the outer membrane for the translocation of the passenger domain. P30 was cloned and expressed in inclusion bodies in Escherichia coli. After refolding and purification, the protein was crystallized using the sitting-drop vapour-diffusion method at 292 K. The crystals diffract to a resolution limit of 3.5 Å using synchrotron radiation and belong to the hexagonal space groupmore » P6{sub 1}22, with unit-cell parameters a = b = 123.27, c = 134.43 Å.« less

Synthesis, crystal structure and ionic conductivity of the Ba3Mo1-xWxNbO8.5 solid solution

NASA Astrophysics Data System (ADS)

Bernasconi, Andrea; Tealdi, Cristina; Mühlbauer, Martin; Malavasi, Lorenzo

2018-02-01

Ba3MoNbO8.5 compound has been recently discovered as novel oxide ionic conductor with a structure that is a hybrid between 9R hexagonal perovskite and palmierite. In this work, the full substitution of Mo with W has been demonstrated as possible, without altering significantly the conductivity of the material. The crystal structure of the Ba3Mo1-xWxNbO8.5 solid solution (with x equals 0, 0.25, 0.5, 0.75 and 1) has been investigated by X-ray powder diffraction, showing a reduction of the unit cell by increasing the molybdenum content, despite the larger size of tungsten compared to molybdenum. Neutron powder diffraction measurements have been performed, indicating different levels of contribution of 9R polytype and of palmierite to the hybrid structure of the material as a function of the W-content.

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

A Double-Negative Metamaterial-Inspired Mobile Wireless Antenna for Electromagnetic Absorption Reduction.

PubMed

Alam, Touhidul; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2015-07-29

A double-negative metamaterial-inspired antenna is presented for mobile wireless applications. The antenna consists of a semi-circular radiating patch and a 3 × 4 hexagonal shaped metamaterial unit cell array in the ground plane. The antenna is fed with a 50 Ω microstrip feed line. The electric dimensions of the proposed antenna are 0.20λ × 0.26λ × 0.004λ, at the low-end frequency. The proposed antenna achieves a -10 dB impedance with a bandwidth of 2.29 GHz at the lower band and 1.28 GHz at the upper band and can operate for most of the mobile applications such as upper GSM bands, WiMAX, Bluetooth, and wireless local area network (WLAN) frequency bands. The focused novelties of the proposed antenna are its small size, multi-standard operating bands, and electromagnetic absorption reduction at all the operating frequencies using the double-negative metamaterial ground plane.

Cu-doped Cd1- x Zn x S alloy: synthesis and structural investigations

NASA Astrophysics Data System (ADS)

Yadav, Indu; Ahlawat, Dharamvir Singh; Ahlawat, Rachna

2016-03-01

Copper doped Cd1- x Zn x S ( x ≤ 1) quantum dots have been synthesized using chemical co-precipitation method. Structural investigation of the synthesized nanomaterials has been carried out by powder XRD method. The XRD results have confirmed that as-prepared Cu-doped Cd1- x Zn x S quantum dots have hexagonal structure. The average nanocrystallite size was estimated in the range 2-12 nm using Debye-Scherrer formula. The lattice constants, lattice plane, d-spacing, unit cell volume, Lorentz factor and dislocation density were also calculated from XRD data. The change in particle size was observed with the change in Zn concentration. Furthermore, FTIR spectra of the prepared samples were observed for identification of COO- and O-H functional groups. The TEM study has also reported the same size range of nanoparticles. The increase in agglomeration has been observed with the increase in Zn concentration in the prepared samples.

Lattice-Matched Epitaxial Graphene Grown on Boron Nitride.

PubMed

Davies, Andrew; Albar, Juan D; Summerfield, Alex; Thomas, James C; Cheng, Tin S; Korolkov, Vladimir V; Stapleton, Emily; Wrigley, James; Goodey, Nathan L; Mellor, Christopher J; Khlobystov, Andrei N; Watanabe, Kenji; Taniguchi, Takashi; Foxon, C Thomas; Eaves, Laurence; Novikov, Sergei V; Beton, Peter H

2018-01-10

Lattice-matched graphene on hexagonal boron nitride is expected to lead to the formation of a band gap but requires the formation of highly strained material and has not hitherto been realized. We demonstrate that aligned, lattice-matched graphene can be grown by molecular beam epitaxy using substrate temperatures in the range 1600-1710 °C and coexists with a topologically modified moiré pattern with regions of strained graphene which have giant moiré periods up to ∼80 nm. Raman spectra reveal narrow red-shifted peaks due to isotropic strain, while the giant moiré patterns result in complex splitting of Raman peaks due to strain variations across the moiré unit cell. The lattice-matched graphene has a lower conductance than both the Frenkel-Kontorova-type domain walls and also the topological defects where they terminate. We relate these results to theoretical models of band gap formation in graphene/boron nitride heterostructures.

Evidence of nanocrystalline semiconducting graphene monoxide during thermal reduction of graphene oxide in vacuum.

PubMed

Mattson, Eric C; Pu, Haihui; Cui, Shumao; Schofield, Marvin A; Rhim, Sonny; Lu, Ganhua; Nasse, Michael J; Ruoff, Rodney S; Weinert, Michael; Gajdardziska-Josifovska, Marija; Chen, Junhong; Hirschmugl, Carol J

2011-12-27

As silicon-based electronics are reaching the nanosize limits of the semiconductor roadmap, carbon-based nanoelectronics has become a rapidly growing field, with great interest in tuning the properties of carbon-based materials. Chemical functionalization is a proposed route, but syntheses of graphene oxide (G-O) produce disordered, nonstoichiometric materials with poor electronic properties. We report synthesis of an ordered, stoichiometric, solid-state carbon oxide that has never been observed in nature and coexists with graphene. Formation of this material, graphene monoxide (GMO), is achieved by annealing multilayered G-O. Our results indicate that the resulting thermally reduced G-O (TRG-O) consists of a two-dimensional nanocrystalline phase segregation: unoxidized graphitic regions are separated from highly oxidized regions of GMO. GMO has a quasi-hexagonal unit cell, an unusually high 1:1 O:C ratio, and a calculated direct band gap of ∼0.9 eV.

Gradual pressure-induced change in the magnetic structure of the noncollinear antiferromagnet Mn3Ge

NASA Astrophysics Data System (ADS)

Sukhanov, A. S.; Singh, Sanjay; Caron, L.; Hansen, Th.; Hoser, A.; Kumar, V.; Borrmann, H.; Fitch, A.; Devi, P.; Manna, K.; Felser, C.; Inosov, D. S.

2018-06-01

By means of powder neutron diffraction we investigate changes in the magnetic structure of the coplanar noncollinear antiferromagnet Mn3Ge caused by an application of hydrostatic pressure up to 5 GPa. At ambient conditions the kagomé layers of Mn atoms in Mn3Ge order in a triangular 120∘ spin structure. Under high pressure the spins acquire a uniform out-of-plane canting, gradually transforming the magnetic texture to a noncoplanar configuration. With increasing pressure the canted structure fully transforms into the collinear ferromagnetic one. We observed that magnetic order is accompanied by a noticeable magnetoelastic effect, namely, spontaneous magnetostriction. The latter induces an in-plane magnetostrain of the hexagonal unit cell at ambient pressure and flips to an out-of-plane strain at high pressures in accordance with the change of the magnetic structure.

Single crystal growth of the Er2PdSi3 intermetallic compound

NASA Astrophysics Data System (ADS)

Mazilu, I.; Frontzek, M.; Löser, W.; Behr, G.; Teresiak, A.; Schultz, L.

2005-02-01

Single crystals of the Er2PdSi3 intermetallic compound melting congruently at 1648 ∘C, were grown by a floating zone method with radiation heating. The control of oxygen content was the key factor to avoid oxide precipitates, which can affect effective grain selection in the crystal growth process. Crystals grown at velocities of 5 mm/h with a preferred direction close to (1 0 0) with inclination angles of about 12 ∘ against the rod axis show very distinct facets at the rod surface. The crystals are Pd-depleted and Si-rich with respect to the nominal Er2PdSi3 stoichiometry, but exhibit inferior element segregation. Measurements on oriented single crystalline samples revealed antiferromagnetic ordering below 7 K, a magnetic easy axis parallel to the (0 0 1) axis of the AlB2-type hexagonal unit cell, and anisotropic electric properties.

Crystallization and preliminary X-ray diffraction studies of the ubiquitin-like (UbL) domain of the human homologue A of Rad23 (hHR23A) protein.

PubMed

Chen, Yu Wai; Tajima, Toshitaka; Rees, Martin; Garcia-Maya, Mitla

2009-09-01

Human homologue A of Rad23 (hHR23A) plays dual roles in DNA repair as well as serving as a shuttle vehicle targeting polyubiquitinated proteins for degradation. Its N-terminal ubiquitin-like (UbL) domain interacts with the 19S proteasomal cap and provides the docking mechanism for protein delivery. Pyramidal crystals of the UbL domain of hHR23A were obtained by the hanging-drop vapour-diffusion method with ammonium sulfate as the crystallizing agent. The crystals diffracted to beyond 2 A resolution and belonged to the hexagonal space group P6(5)22, with unit-cell parameters a = b = 78.48, c = 63.57 A. The structure was solved by molecular replacement using the UbL domain of yeast Dsk2 as the search model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuzmin, Stanislav L.; Wesolowski, Michal J.; Duley, Walter W.

A new type of metal-organic composition consisting of clusters of nanoparticles has been synthesised by laser irradiation of metallocene/benzene solutions. The metallocene molecules in this reaction become the source of the metal. Exposure to high-energy femtosecond laser pulses dehydrogenate benzene molecules and initiate the high-temperature high-pressure conditions that results in the synthesis of new materials. Irradiation experiments have been carried out on ferrocene/benzene and on other solutions. With ferrocene the synthesis of a new compound has been confirmed by X-ray powder diffraction as the peaks detected do not correspond to any known substance in the Crystallography Open Database. Theoretical simulationmore » of the periodic structure of this new carbide predicts that it has hexagonal symmetry and a unit cell with a = 3.2A and c =2.8A. The exact structure is still uncertain but may be determined from scanning tunneling microscope (STM) studies.« less

The MaNGA integral field unit fiber feed system for the Sloan 2.5 m telescope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drory, N.; MacDonald, N.; Byler, N.

2015-02-01

We describe the design, manufacture, and performance of bare-fiber integral field units (IFUs) for the SDSS-IV survey Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) on the the Sloan 2.5 m telescope at Apache Point Observatory. MaNGA is a luminosity-selected integral-field spectroscopic survey of 10{sup 4} local galaxies covering 360–1030 nm at R∼2200. The IFUs have hexagonal dense packing of fibers with packing regularity of 3 μm (rms), and throughput of 96 ± 0.5% from 350 nm to 1 μm in the lab. Their sizes range from 19 to 127 fibers (3–7 hexagonal layers) using Polymicro FBP 120:132:150 μm core:clad:buffermore » fibers to reach a fill fraction of 56%. High throughput (and low focal-ratio degradation (FRD)) is achieved by maintaining the fiber cladding and buffer intact, ensuring excellent surface polish, and applying a multi-layer anti-reflection (AR) coating of the input and output surfaces. In operations on-sky, the IFUs show only an additional 2.3% FRD-related variability in throughput despite repeated mechanical stressing during plate plugging (however other losses are present). The IFUs achieve on-sky throughput 5% above the single-fiber feeds used in SDSS-III/BOSS, attributable to equivalent performance compared to single fibers and additional gains from the AR coating. The manufacturing process is geared toward mass-production of high-multiplex systems. The low-stress process involves a precision ferrule with a hexagonal inner shape designed to lead inserted fibers to settle in a dense hexagonal pattern. The ferrule ID is tapered at progressively shallower angles toward its tip and the final 2 mm are straight and only a few microns larger than necessary to hold the desired number of fibers. Our IFU manufacturing process scales easily to accommodate other fiber sizes and can produce IFUs with substantially larger fiber counts. To assure quality, automated testing in a simple and inexpensive system enables complete characterization of throughput and fiber metrology. Future applications include larger IFUs, higher fill factors with stripped buffer, de-cladding, and lenslet coupling.« less

The MaNGA Integral Field Unit Fiber Feed System for the Sloan 2.5 m Telescope

NASA Astrophysics Data System (ADS)

Drory, N.; MacDonald, N.; Bershady, M. A.; Bundy, K.; Gunn, J.; Law, D. R.; Smith, M.; Stoll, R.; Tremonti, C. A.; Wake, D. A.; Yan, R.; Weijmans, A. M.; Byler, N.; Cherinka, B.; Cope, F.; Eigenbrot, A.; Harding, P.; Holder, D.; Huehnerhoff, J.; Jaehnig, K.; Jansen, T. C.; Klaene, M.; Paat, A. M.; Percival, J.; Sayres, C.

2015-02-01

We describe the design, manufacture, and performance of bare-fiber integral field units (IFUs) for the SDSS-IV survey Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) on the the Sloan 2.5 m telescope at Apache Point Observatory. MaNGA is a luminosity-selected integral-field spectroscopic survey of 104 local galaxies covering 360-1030 nm at R˜ 2200. The IFUs have hexagonal dense packing of fibers with packing regularity of 3 μm (rms), and throughput of 96 ± 0.5% from 350 nm to 1 μm in the lab. Their sizes range from 19 to 127 fibers (3-7 hexagonal layers) using Polymicro FBP 120:132:150 μm core:clad:buffer fibers to reach a fill fraction of 56%. High throughput (and low focal-ratio degradation (FRD)) is achieved by maintaining the fiber cladding and buffer intact, ensuring excellent surface polish, and applying a multi-layer anti-reflection (AR) coating of the input and output surfaces. In operations on-sky, the IFUs show only an additional 2.3% FRD-related variability in throughput despite repeated mechanical stressing during plate plugging (however other losses are present). The IFUs achieve on-sky throughput 5% above the single-fiber feeds used in SDSS-III/BOSS, attributable to equivalent performance compared to single fibers and additional gains from the AR coating. The manufacturing process is geared toward mass-production of high-multiplex systems. The low-stress process involves a precision ferrule with a hexagonal inner shape designed to lead inserted fibers to settle in a dense hexagonal pattern. The ferrule ID is tapered at progressively shallower angles toward its tip and the final 2 mm are straight and only a few microns larger than necessary to hold the desired number of fibers. Our IFU manufacturing process scales easily to accommodate other fiber sizes and can produce IFUs with substantially larger fiber counts. To assure quality, automated testing in a simple and inexpensive system enables complete characterization of throughput and fiber metrology. Future applications include larger IFUs, higher fill factors with stripped buffer, de-cladding, and lenslet coupling.

The Hexagon Project

ERIC Educational Resources Information Center

Burkhauser, Beth

2009-01-01

Interdependence Day was launched in Philadelphia at the American Philosophical Society on September 12, 2003. The date was chosen deliberately as a post-9/11 symbol of regeneration, as a time to reflect on the tragedy of the incidents of terror, not only in the United States, but all over the world, and ask, "What next?" The shape of the hexagon…

Homogenized modeling methodology for 18650 lithium-ion battery module under large deformation

PubMed Central

Tang, Liang; Cheng, Pengle

2017-01-01

Effective lithium-ion battery module modeling has become a bottleneck for full-size electric vehicle crash safety numerical simulation. Modeling every single cell in detail would be costly. However, computational accuracy could be lost if the module is modeled by using a simple bulk material or rigid body. To solve this critical engineering problem, a general method to establish a computational homogenized model for the cylindrical battery module is proposed. A single battery cell model is developed and validated through radial compression and bending experiments. To analyze the homogenized mechanical properties of the module, a representative unit cell (RUC) is extracted with the periodic boundary condition applied on it. An elastic–plastic constitutive model is established to describe the computational homogenized model for the module. Two typical packing modes, i.e., cubic dense packing and hexagonal packing for the homogenized equivalent battery module (EBM) model, are targeted for validation compression tests, as well as the models with detailed single cell description. Further, the homogenized EBM model is confirmed to agree reasonably well with the detailed battery module (DBM) model for different packing modes with a length scale of up to 15 × 15 cells and 12% deformation where the short circuit takes place. The suggested homogenized model for battery module makes way for battery module and pack safety evaluation for full-size electric vehicle crashworthiness analysis. PMID:28746390

Homogenized modeling methodology for 18650 lithium-ion battery module under large deformation.

PubMed

Tang, Liang; Zhang, Jinjie; Cheng, Pengle

2017-01-01

Effective lithium-ion battery module modeling has become a bottleneck for full-size electric vehicle crash safety numerical simulation. Modeling every single cell in detail would be costly. However, computational accuracy could be lost if the module is modeled by using a simple bulk material or rigid body. To solve this critical engineering problem, a general method to establish a computational homogenized model for the cylindrical battery module is proposed. A single battery cell model is developed and validated through radial compression and bending experiments. To analyze the homogenized mechanical properties of the module, a representative unit cell (RUC) is extracted with the periodic boundary condition applied on it. An elastic-plastic constitutive model is established to describe the computational homogenized model for the module. Two typical packing modes, i.e., cubic dense packing and hexagonal packing for the homogenized equivalent battery module (EBM) model, are targeted for validation compression tests, as well as the models with detailed single cell description. Further, the homogenized EBM model is confirmed to agree reasonably well with the detailed battery module (DBM) model for different packing modes with a length scale of up to 15 × 15 cells and 12% deformation where the short circuit takes place. The suggested homogenized model for battery module makes way for battery module and pack safety evaluation for full-size electric vehicle crashworthiness analysis.

Air separation and oxygen storage properties of hexagonal rare-earth manganites

NASA Astrophysics Data System (ADS)

Abughayada, Castro

This dissertation presents evaluation results of hexagonal Y1-x RxMnO3+delta (R = Er, Y, Dy, Pr, La, Tb and Ho) rare-earth manganites for prospective air separation applications. In these materials, oxygen content is sensitively dependent on the surrounding conditions of temperature and/or oxygen partial pressure, and therefore they exhibit the ability to selectively absorb, store, and release significant amounts of separated oxygen from air. This study presents a full characterization of their thermogravimetric characteristics and air separation capabilities. With the expected potential impact of oxygen content on the physical properties of these materials, the scope of this work is expanded to explore other relevant properties such as magnetic, transport, and dilatometric characteristics. Single-phase polycrystalline samples of these materials were achieved in the hexagonal P63cm phase through solid state reaction at elevated temperatures. Further annealings under reducing conditions were required for samples with large rare-earth cations in order to suppress the competing perovskite structure and form in the anticipated hexagonal phase. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger R ionic radii show rapid and reversible incorporation of significant amounts of excess oxygen (0.41 > delta > 0) at an unusual low temperature range ~190-325 °C. The reversible oxygen storage characteristics of HoMnO3+delta and related materials shown by the fast incorporation and release of interstitial oxygen at easily accessible elevated temperatures of ~300 °C demonstrate the feasibility and potential for low-cost thermal swing adsorption TSA process for oxygen separation and enrichment from air. Neutron and X-ray powder diffraction measurements confirmed the presence of three line compounds RMnO3+delta, the oxygen stoichiometric P6 3cm (delta = 0 for all R), the intermediate oxygen content superstructure phase R3c (delta ~ 0.28 for R = Ho, Dy, Dy0.5Y0.5, and Dy0.3Y0.7) constructed by tripling the c-axis of the original unit cell, and the highly oxygen-loaded Pca21 phase (delta = 0.40 for all R). In-situ synchrotron diffraction showed thermal stability of these single phases and their coexistence ranges, demonstrating that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. The magnetic properties of the multiferroic RMnO3+delta were found to be dependent on the oxygen content of these compounds. Below the magnetic ordering temperatures, samples with higher oxygen content showed slightly decreased magnetization relative to the less oxygenated ones. Dilatometry measurements suggest that the thermal expansion coefficient TEC of the oxygen-loaded Pca21 phase is slightly larger than that of the stoichiometric P63cm phase. The calculated Pca21 to P63cm chemical expansion coefficient 14.38 x 10-3 [mole-O]-1 was found to be within the expected range for the hexagonal Y0.97La0.03MnO3+delta sample.

Swollen hexagonal liquid crystals as smart nanoreactors: implementation in materials chemistry for energy applications.

PubMed

Ghosh, Srabanti; Ramos, Laurence; Remita, Hynd

2018-03-29

Materials are the key roadblocks for the commercialization of energy conversion devices in fuel cells and solar cells. Significant research has focused on tuning the intrinsic properties of materials at the nanometer scale. The soft template mediated controlled fabrication of advanced nanostructured materials is attracting considerable interest due to the promising applications of these materials in catalysis and electrocatalysis. Swollen hexagonal lyotropic liquid crystals (SLCs) consist of oil-swollen surfactant-stabilized 1D, 2D or 3D nanometric assemblies regularly arranged in an aqueous solvent. Interestingly, the characteristic size of the SLCs can be controlled by adjusting the volume ratio of oil to water. The non-polar and/or polar compartments of the SLCs can be doped with guest molecules and used as nanoreactors for the synthesis of various metals (Pt, Pd, Au, etc.), conducting polymers and composite nanostructures with controlled size and shape. 1D, 2D and 3D mono- and bimetallic nanostructures of controlled composition and porosity can also be fabricated. These materials have demonstrated impressive enhancements of their electrochemical properties as compared to their bulk counterparts and have been identified as promising for further implementation in energy harvesting applications. In this review article, recent research materials are described regarding the development of functional materials with much improved performances for catalysis applications. This review addresses a brief overview of swollen hexagonal mesophases as nanoreactors, describes examples of nanostructured materials synthesized in these nanoreactors, shows several examples of the energy conversion applications in solar light harvesting, fuel cells etc. and also summarizes the associated reaction mechanisms developed in the recent literature for enhanced catalytic activity.

Detector shape in hexagonal sampling grids

NASA Astrophysics Data System (ADS)

Baronti, Stefano; Capanni, Annalisa; Romoli, Andrea; Santurri, Leonardo; Vitulli, Raffaele

2001-12-01

Recent improvements in CCD technology make hexagonal sampling attractive for practical applications and bring a new interest on this topic. In the following the performances of hexagonal sampling are analyzed under general assumptions and compared with the performances of conventional rectangular sampling. This analysis will take into account both the lattice form (squared, rectangular, hexagonal, and regular hexagonal), and the pixel shape. The analyzed hexagonal grid will not based a-priori on a regular hexagon tessellation, i.e., no constraints will be made on the ratio between the sampling frequencies in the two spatial directions. By assuming an elliptic support for the spectrum of the signal being sampled, sampling conditions will be expressed for a generic hexagonal sampling grid, and a comaprison with the well-known sampling conditions for a comparable rectangular lattice will be performed. Further, by considering for sake of clarity a spectrum with a circular support, the comparison will be performed under the assumption of same number of pixels for unity of surface, and the particular case of regular hexagonal sampling grid will also be considered. Regular hexagonal lattice with regular hexagonal sensitivity shape of the detector elements will result as the best trade-off between the proposed sampling requirement. Concerning the detector shape, the hexagonal is more advantageous than the rectangular. To show that a figure of merit is defined which takes into account that the MTF (modulation transfer function) of a hexagonal detector is not separable, conversely from that of a rectangular detector. As a final result, octagonal shape detectors are compared to those with rectangular and hexagonal shape in the two hypotheses of equal and ideal fill factor, respectively.

Self-Assembled Polystyrene Beads for Templated Covalent Functionalization of Graphitic Substrates Using Diazonium Chemistry.

PubMed

Van Gorp, Hans; Walke, Peter; Bragança, Ana M; Greenwood, John; Ivasenko, Oleksandr; Hirsch, Brandon E; De Feyter, Steven

2018-04-11

A network of self-assembled polystyrene beads was employed as a lithographic mask during covalent functionalization reactions on graphitic surfaces to create nanocorrals for confined molecular self-assembly studies. The beads were initially assembled into hexagonal arrays at the air-liquid interface and then transferred to the substrate surface. Subsequent electrochemical grafting reactions involving aryl diazonium molecules created covalently bound molecular units that were localized in the void space between the nanospheres. Removal of the bead template exposed hexagonally arranged circular nanocorrals separated by regions of chemisorbed molecules. Small molecule self-assembly was then investigated inside the resultant nanocorrals using scanning tunneling microscopy to highlight localized confinement effects. Overall, this work illustrates the utility of self-assembly principles to transcend length scale gaps in the development of hierarchically patterned molecular materials.

High Sensitivity Refractive Index Sensor Based on Dual-Core Photonic Crystal Fiber with Hexagonal Lattice.

PubMed

Wang, Haiyang; Yan, Xin; Li, Shuguang; An, Guowen; Zhang, Xuenan

2016-10-08

A refractive index sensor based on dual-core photonic crystal fiber (PCF) with hexagonal lattice is proposed. The effects of geometrical parameters of the PCF on performances of the sensor are investigated by using the finite element method (FEM). Two fiber cores are separated by two air holes filled with the analyte whose refractive index is in the range of 1.33-1.41. Numerical simulation results show that the highest sensitivity can be up to 22,983 nm/RIU(refractive index unit) when the analyte refractive index is 1.41. The lowest sensitivity can reach to 21,679 nm/RIU when the analyte refractive index is 1.33. The sensor we proposed has significant advantages in the field of biomolecule detection as it provides a wide-range of detection with high sensitivity.

High Sensitivity Refractive Index Sensor Based on Dual-Core Photonic Crystal Fiber with Hexagonal Lattice

PubMed Central

Wang, Haiyang; Yan, Xin; Li, Shuguang; An, Guowen; Zhang, Xuenan

2016-01-01

A refractive index sensor based on dual-core photonic crystal fiber (PCF) with hexagonal lattice is proposed. The effects of geometrical parameters of the PCF on performances of the sensor are investigated by using the finite element method (FEM). Two fiber cores are separated by two air holes filled with the analyte whose refractive index is in the range of 1.33–1.41. Numerical simulation results show that the highest sensitivity can be up to 22,983 nm/RIU(refractive index unit) when the analyte refractive index is 1.41. The lowest sensitivity can reach to 21,679 nm/RIU when the analyte refractive index is 1.33. The sensor we proposed has significant advantages in the field of biomolecule detection as it provides a wide-range of detection with high sensitivity. PMID:27740607

Magnetic properties and photovoltaic applications of ZnO:Mn nanocrystals.

PubMed

Zhang, Ying; Han, Fengxiang; Dai, Qilin; Tang, Jinke

2018-05-01

A simple and large-scale synthetic method of Mn doped ZnO (ZnO:Mn) was developed in this work. ZnO:Mn nanocrystals with hexagonal structure were prepared by thermal decomposition of zinc acetate and manganese acetate in the presence of oleylamine and oleic acid with different temperatures, ligand ratios, and Mn doping concentrations. The particle size (47-375 nm) and morphology (hexagonal nanopyramid, hexagonal nanodisk and irregular nanospheres) of ZnO:Mn nanocrystals can be controlled by the ratio of capping ligand, reaction temperature, reaction time and Mn doping concentration. The corresponding optical and magnetic properties were systemically studied and compared. All samples were found to be paramagnetic with antiferromagnetic (AFM) exchange interactions between the Mn moments in the ZnO lattice, which can be affected by the reaction conditions. The quantum dot sensitized solar cells (QDSSCs) were fabricated based on ZnO:Mn nanocrystals and CdS quantum dots, and the device performance affected by Mn doping concentration was also studied and compared. Copyright © 2018 Elsevier Inc. All rights reserved.

Hexagonal-shaped chondroitin sulfate self-assemblies have exalted anti-HSV-2 activity.

PubMed

Galus, Aurélia; Mallet, Jean-Maurice; Lembo, David; Cagno, Valeria; Djabourov, Madeleine; Lortat-Jacob, Hugues; Bouchemal, Kawthar

2016-01-20

The initial step in mucosal infection by the herpes simplex virus type 2 (HSV-2) requires its binding to certain glycosaminoglycans naturally present on host cell membranes. We took advantage of this interaction to design biomimetic supramolecular hexagonal-shaped nanoassemblies composed of chondroitin sulfate having exalted anti-HSV-2 activity in comparison with native chondroitin sulfate. Nanoassemblies were formed by mixing hydrophobically-modified chondroitin sulfate with α-cyclodextrin in water. Optimization of alkyl chain length grafted on chondroitin sulfate and the ratio between hydrophobically-modified chondroitin sulfate and α-cyclodextrin showed that more cohesive and well-structured nanoassemblies were obtained using higher α-cyclodextrin concentration and longer alkyl chain lengths. A structure-activity relationship was found between anti-HSV-2 activity and the amphiphilic nature of hydrophobically-modified chondroitin sulfate. Also, antiviral activity of hexagonal nanoassemblies against HSV-2 was further improved in comparison with hydrophobically-modified chondroitin sulfate. This work suggests a new biomimetic formulation approach that can be extended to other heparan-sulfate-dependent viruses. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

PubMed

Kalkan, B; Sen, S; Clark, S M

2011-09-28

The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

First principles examination of electronic structure and optical features of 4H-GaN1-xPx polytype alloys

NASA Astrophysics Data System (ADS)

Laref, A.; Hussain, Z.; Laref, S.; Yang, J. T.; Xiong, Y. C.; Luo, S. J.

2018-04-01

By using first-principles calculations, we compute the electronic band structures and typical aspects of the optical spectra of hexagonally structured GaN1-xPx alloys. Although a type III-V semiconductor, GaP commonly possesses a zinc-blende structure with an indirect band gap; as such, it may additionally form hexagonal polytypes under specific growth conditions. The electronic structures and optical properties are calculated by combining a non-nitride III-V semiconductor and a nitride III-V semiconductor, as GaP and GaN crystallizing in a 4H polytype, with the N composition ranging between x = 0-1. For all studied materials, the energy gap is found to be direct. The optical properties of the hexagonal materials may illustrate the strong polarization dependence owing to the crystalline anisotropy. This investigation for GaN1-xPx alloys is anticipated to supply paramount information for applications in the visible/ultraviolet spectral regions. At a specific concentration, x, these alloys would be exclusively appealing candidates for solar-cell applications.

Breath Figure Method for Construction of Honeycomb Films

PubMed Central

Dou, Yingying; Jin, Mingliang; Zhou, Guofu; Shui, Lingling

2015-01-01

Honeycomb films with various building units, showing potential applications in biological, medical, physicochemical, photoelectric, and many other areas, could be prepared by the breath figure method. The ordered hexagonal structures formed by the breath figure process are related to the building units, solvents, substrates, temperature, humidity, air flow, and other factors. Therefore, by adjusting these factors, the honeycomb structures could be tuned properly. In this review, we summarized the development of the breath figure method of fabricating honeycomb films and the factors of adjusting honeycomb structures. The organic-inorganic hybrid was taken as the example building unit to discuss the preparation, mechanism, properties, and applications of the honeycomb films. PMID:26343734

New Findings on the Phase Transitions in Li(sub 1-x)CoO(sub 2) and Li(sub 1-x)NiO(sub 2) Cathode Materials During Cycling: In Situ Synchrotron X-Ray Diffraction Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, X. Q.; Sun, X.; McBreen, J.

The authors have utilized synchrotron x-ray radiation to perform ''in situ'' x-ray diffraction studies on Li{sub 1-x}CoO{sub 2} and Li{sub 1-x}NiO{sub 2} cathodes. A C/10 charging rate was used for a Li/Li{sub 1-x}CoO{sub 2} cell. For the Li/Li{sub 1-x}NiO{sub 2} cells, C/13 and C/84 rates were applied. The in situ XRD data were collected during the first charge from 3.5 to 5.2 V. For the Li{sub 1-x}CoO{sub 2} cathode, in the composition range of x = 0 to x = 0.5, a new intermediate phase H2a was observed in addition to the two expected hexagonal phases H1 and H2. Inmore » the region very close to x = 0.5, some spectral signatures for the formation of a monoclinic phase M1 were also observed. Further, in the x = 0.8 to x = 1 region, the formation of a CdI{sub 2} type hexagonal phase has been confirmed. However, this new phase is transformed from a CdCl{sub 2} type hexagonal phase, rather than from a monoclinic phase M2 as previously reported in the literature. For the Li{sub 1-x}NiO{sub 2} system, by taking the advantage of the high resolution in 2{theta} angles through the synchrotron based XRD technique, they were able to identify a two-phase coexistence region of hexagonal phase H1 and H2, which has been mistakenly indexed as a single phase region for monoclinic phase M1. Interesting similarities and differences between these two systems are also discussed.« less

Microstructural Characterization of Metal Foams: An Examination of the Applicability of the Theoretical Models for Modeling Foams. Revision 1

NASA Technical Reports Server (NTRS)

Raj, S. V.

2011-01-01

Establishing the geometry of foam cells is useful in developing microstructure-based acoustic and structural models. Since experimental data on the geometry of the foam cells are limited, most modeling efforts use an idealized three-dimensional, space-filling Kelvin tetrakaidecahedron. The validity of this assumption is investigated in the present paper. Several FeCrAlY foams with relative densities varying between 3 and 15 percent and cells per mm (c.p.mm.) varying between 0.2 and 3.9 c.p.mm. were microstructurally evaluated. The number of edges per face for each foam specimen was counted by approximating the cell faces by regular polygons, where the number of cell faces measured varied between 207 and 745. The present observations revealed that 50 to 57 percent of the cell faces were pentagonal while 24 to 28 percent were quadrilateral and 15 to 22 percent were hexagonal. The present measurements are shown to be in excellent agreement with literature data. It is demonstrated that the Kelvin model, as well as other proposed theoretical models, cannot accurately describe the FeCrAlY foam cell structure. Instead, it is suggested that the ideal foam cell geometry consists of 11 faces with three quadrilateral, six pentagonal faces and two hexagonal faces consistent with the 3-6-2 Matzke cell. A compilation of 90 years of experimental data reveals that the average number of cell faces decreases linearly with the increasing ratio of quadrilateral to pentagonal faces. It is concluded that the Kelvin model is not supported by these experimental data.

It's Life, but Not as We Know It.

ERIC Educational Resources Information Center

Parr, Alan

1992-01-01

Presents the game "Life91," an adaptation of Conway's "The Game of Life." Played on a hexagonal board, the game generates number patterns of population size by rules that determine cell growth and death from one generation to another. An example illustrates the process. (MDH)

Puerto Rico's forest inventory: adapting the forest inventory and analysis program to a Caribbean island.

Treesearch

T. J. Brandeis

2003-01-01

Rapid Changes in vegetation over short distances, high species diversity, and fragmented landscape challege the implementation of the Forest service's Forest inventory and Analysis (FIA)program on Puerto Rico. Applying the hexagonal FIA grid as used on the continental United States, the Forest service is installing a new forest sampling and monitoring framework...

Spontaneous Planar Chiral Symmetry Breaking in Cells

NASA Astrophysics Data System (ADS)

Hadidjojo, Jeremy; Lubensky, David

Recent progress in animal development has highlighted the central role played by planar cell polarity (PCP) in epithelial tissue morphogenesis. Through PCP, cells have the ability to collectively polarize in the plane of the epithelium by localizing morphogenetic proteins along a certain axis. This allows direction-dependent modulation of tissue mechanical properties that can translate into the formation of complex, non-rotationally invariant shapes. Recent experimental observations[1] show that cells, in addition to being planar-polarized, can also spontaneously develop planar chirality, perhaps in the effort of making yet more complex shapes that are reflection non-invariant. In this talk we will present our work in characterizing general mechanisms that can lead to spontaneous chiral symmetry breaking in cells. We decompose interfacial concentration of polarity proteins in a hexagonal cell packing into irreducible representations. We find that in the case of polar concentration distributions, a chiral state can only be reached from a secondary instability after the cells are polarized. However in the case of nematic distributions, we show that a finite-amplitude (subcritical, or ``first-order'') nematic transition can send the system from disorder directly to a chiral state. In addition, we find that perturbing the system by stretching the hexagonal packing enables direct (supercritical, or ``second-order'') chiral transition in the nematic case. Finally, we do a Landau expansion to study competition between stretch-induced chirality and the tendency towards a non-chiral state in packings that have retained the full 6-fold symmetry.

Alcohol-assisted debridement in PRK with intraoperative mitomycin C.

PubMed

Nassiri, Nader; Sheibani, Kourosh; Safi, Sare; Haghnegahdar, Maryam; Nassiri, Saman; Panahi, Nekoo; Mehravaran, Shiva; Nassiri, Nariman

2014-09-01

To compare corneal stromal and endothelial cells after photorefractive keratectomy with intraoperative mitomycin C in alcohol-assisted versus mechanical epithelial debridement using confocal microscopy. This prospective randomized comparative study was performed on 88 eyes (44 patients) with myopia up to -6.00 diopters. The right eye of each patient was randomly assigned to either mechanical or alcohol-assisted groups, and the left eye was assigned to the alternate group. Confocal microscopy was performed preoperatively and at 3 months postoperatively. The main outcome measures were epithelial thickness; number of keratocytes in the anterior, mid-, and posterior stroma; and characteristics of the central corneal endothelial cells in terms of density, mean cell area, and polymegathism and hexagonality. Three months after surgery, no statistically significant difference was noted between the study groups in terms of epithelial thickness. We also found no statistically significant difference in central corneal endothelial cells regarding cell density, mean cell area, hexagonality, or polymegathism. Compared with baseline values, the density of mid- and posterior stromal keratocytes showed no significant change in either group, whereas it decreased significantly in the anterior stroma in both groups 3 months after surgery. We found that the adverse effects of photorefractive keratectomy with mitomycin C on central corneal endothelial cells were comparable between the mechanical and alcohol-assisted epithelial debridement groups and the significant decrease in postoperative keratocyte density in anterior stroma was comparable between the two groups. The choice of their application could be left to the discretion of the ophthalmologist.

Endothelial quality of pre-cut posterior corneal lamellae for Descemet membrane endothelial keratoplasty with a stromal rim (DMEK-S): two-year outcome of manual preparation in an ocular tissue bank.

PubMed

Krabcova, Ivana; Studeny, Pavel; Jirsova, Katerina

2013-06-01

To assess the quantitative and qualitative parameters of pre-cut posterior corneal lamellae for Descemet membrane endothelial keratoplasty with a stromal rim (DMEK-S) prepared manually in the Ocular Tissue Bank Prague. All 65 successfully prepared pre-cut posterior corneal lamellae provided for grafting during a 2-year period were analyzed retrospectively. The lamellae, consisting of a central zone of endothelium-Descemet membrane surrounded by a supporting peripheral stromal rim, were prepared manually from corneoscleral buttons having an endothelial cell density higher than 2,500 cells/mm(2). The live endothelial cell density, the percentage of dead cells, the hexagonality and the coefficient of variation were assessed before and immediately after preparation as well as after 2 days of organ culture storage at 31 °C. Altogether, the endothelium of 57 lamellae was assessed. Immediately after preparation, the mean live endothelial cell density was 2,835 cells/mm(2) and, on average, 1.8 % of dead cells were found. After 2 days of storage, the cell density decreased significantly to 2,757 cells/mm(2) and the percentage of dead cells to 1.0 %. There was a significant change in the mean hexagonality and the coefficient of variation after lamellar preparation and subsequent storage. The amount of tissue wasted during the preparation was 23 %. The endothelial cell density of posterior corneal lamellae sent for DMEK-S was higher than 2,700 cells/mm(2) in average with a low percentage of dead cells; 65 pre-cut tissues were used for grafting during a 2-year period.

Bismuth Based Hybrid Perovskites A3Bi2 I9 (A: Methylammonium or Cesium) for Solar Cell Application.

PubMed

Park, Byung-Wook; Philippe, Bertrand; Zhang, Xiaoliang; Rensmo, Håkan; Boschloo, Gerrit; Johansson, Erik M J

2015-11-18

Low-toxic bismuth-based perovskites are prepared for the possible replacement of lead perovskite in solar cells. The perovskites have a hexagonal crystalline phase and light absorption in the visible region. A power conversion efficiency of over 1% is obtained for a solar cell with Cs3 Bi2 I9 perovskite, and it is concluded that bismuth perovskites have very promising properties for further development in solar cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Triangle Geometry Processing for Surface Modeling and Cartesian Grid Generation

NASA Technical Reports Server (NTRS)

Aftosmis, Michael J. (Inventor); Melton, John E. (Inventor); Berger, Marsha J. (Inventor)

2002-01-01

Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

Triangle geometry processing for surface modeling and cartesian grid generation

DOEpatents

Aftosmis, Michael J [San Mateo, CA; Melton, John E [Hollister, CA; Berger, Marsha J [New York, NY

2002-09-03

Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations.

PubMed

Fritzsche, J; Grzywa, M; Denysenko, D; Bon, V; Senkovska, I; Kaskel, S; Volkmer, D

2017-05-23

The syntheses and crystal structures of the fluorinated linker 1,4-bis(3,5-bis(trifluoromethyl)-1H-pyrazole-4-yl)benzene (H 2 -tfpb; 1) and the novel metal-organic framework family M[CFA-4] (Coordination Framework Augsburg University-4), M[Cu 5 (tfpb) 3 ] (M = Cu(i), K, Cs, Ca(0.5)), are described. The ligand 1 is fully characterized by single crystal X-ray diffraction, photoluminescence-, NMR-, IR spectroscopy, and mass spectrometry. The copper(i)-containing MOF crystallizes in the hexagonal crystal system within the chiral space group P6 3 22 (no. 182) and the unit cell parameters are as follows: a = 23.630(5) Å, c = 41.390(5) Å, V = 20 015(6) Å 3 . M[CFA-4] features a porous 3-D structure constructed from pentanuclear copper(i) secondary building units {Cu(pz) 6 } - (pz = pyrazolate). Cu(I)[CFA-4] is fully characterized by synchrotron single crystal X-ray diffraction, thermogravimetric analysis, variable temperature powder X-ray diffraction, IR spectroscopy, photoluminescence and gas sorption measurements. Moreover, thermal stability and gas sorption properties of K[CFA-4] and Cu(I)[CFA-4] are compared.

Crystallization and preliminary crystallographic analysis of orotidine 5′-monophosphate decarboxylase from the human malaria parasite Plasmodium falciparum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krungkrai, Sudaratana R.; Department of Molecular Protozoology, Research Institute for Microbial Diseases, Osaka University, 3-1 Yamadaoka, Suita, Osaka 565-0871; Tokuoka, Keiji

Orotidine 5′-monophosphate decarboxylase of human malaria parasite P. falciparum was crystallized by the seeding method in a hanging drop using PEG 3000 as a precipitant. A complete set of diffraction data from a native crystal was collected to 2.7 Å resolution at 100 K using synchrotron radiation. Orotidine 5′-monophosphate (OMP) decarboxylase (OMPDC; EC 4.1.1.23) catalyzes the final step in the de novo synthesis of uridine 5′-monophosphate (UMP) and defects in the enzyme are lethal in the malaria parasite Plasmodium falciparum. Active recombinant P. falciparum OMPDC (PfOMPDC) was crystallized by the seeding method in a hanging drop using PEG 3000 asmore » a precipitant. A complete set of diffraction data from a native crystal was collected to 2.7 Å resolution at 100 K using synchrotron radiation at the Swiss Light Source. The crystal exhibits trigonal symmetry (space group R3), with hexagonal unit-cell parameters a = b = 201.81, c = 44.03 Å. With a dimer in the asymmetric unit, the solvent content is 46% (V{sub M} = 2.3 Å{sup 3} Da{sup −1})« less

Elaboration, Rietveld refinements and vibrational spectroscopic study of Na₁-xKxCaPb₃(PO₄)₃ lacunar apatites (0 ⩽ x ⩽ 1).

PubMed

Lahrich, S; Elmhammedi, M A; Manoun, B; Tamraoui, Y; Mirinioui, F; Azrour, M; Lazor, P

2015-06-15

Synthesis of apatites, Na1-xKxCaPb3(PO4)3 0 ⩽ x ⩽ 1, with anion vacancy were carried out using solid state reactions. The solid solution of apatite-type structure crystallize in the hexagonal system, space group P63/m (No. 176). Rietveld refinements showed that around 90% of Pb(2+) cations are located in the (6h) sites, the left amount of Pb(2+) cations are located in the (4f) sites; 27-31% of Ca(2+) cations are located in the (6h) sites, the left amount of Ca(2+) cations are located in the (4f) sites. The ninefold coordination sites (4f) are also occupied by the K(+) and Na(+) monovalent ions. The structure can be described as built up from [PO4](3-) tetrahedra and Pb(2+)/Ca(2+) of sixfold coordination cavities (6h positions), which delimit void hexagonal tunnels running along [001]. These tunnels are connected by cations of mixed sites (4f) which are half occupied by Pb(2+)/Ca(2+) and half by Na(+)/K(+) mixed cations. The assignment of the observed frequencies in the Raman and infrared spectra is discussed on the basis of a unit cell group analysis and by comparison with other apatites. Vibrational spectra of all the compositions are similar and show some linear shifts of the frequencies as a function of the composition toward lower values due the substitutions of Na(+) by K(+) with a larger radius. Copyright © 2015 Elsevier B.V. All rights reserved.

Removal Torque and Biofilm Accumulation at Two Dental Implant-Abutment Joints After Fatigue.

PubMed

Pereira, Jorge; Morsch, Carolina S; Henriques, Bruno; Nascimento, Rubens M; Benfatti, Cesar Am; Silva, Filipe S; López-López, José; Souza, Júlio Cm

2016-01-01

The aim of this study was to evaluate the removal torque and in vitro biofilm penetration at Morse taper and hexagonal implant-abutment joints after fatigue tests. Sixty dental implants were divided into two groups: (1) Morse taper and (2) external hexagon implant-abutment systems. Fatigue tests on the implant-abutment assemblies were performed at a normal force (FN) of 50 N at 1.2 Hz for 500,000 cycles in growth medium containing human saliva for 72 hours. Removal torque mean values (n = 10) were measured after fatigue tests. Abutments were then immersed in 1% protease solution in order to detach the biofilms for optical density and colony-forming unit (CFU/cm²) analyses. Groups of implant-abutment assemblies (n = 8) were cross-sectioned at 90 degrees relative to the plane of the implant-abutment joints for the microgap measurement by field-emission guns scanning electron microscopy. Mean values of removal torque on abutments were significantly lower for both Morse taper (22.1 ± 0.5 μm) and external hexagon (21.1 ± 0.7 μm) abutments after fatigue tests than those recorded without fatigue tests (respectively, 24 ± 0.5 μm and 24.8 ± 0.6 μm) in biofilm medium for 72 hours (P = .04). Mean values of microgap size for the Morse taper joints were statistically signicantly lower without fatigue tests (1.7 ± 0.4 μm) than those recorded after fatigue tests (3.2 ± 0.8 μm). Also, mean values of microgap size for external hexagon joints free of fatigue were statistically signicantly lower (1.5 ± 0.4 μm) than those recorded after fatigue tests (8.1 ± 1.7 μm) (P < .05). The optical density of biofilms and CFU mean values were lower on Morse taper abutments (Abs630nm at 0.06 and 2.9 × 10⁴ CFU/cm²) than that on external hexagon abutments (Abs630nm at 0.08 and 4.5 × 10⁴ CFU/cm²) (P = .01). The mean values of removal torque, microgap size, and biofilm density recorded at Morse taper joints were lower in comparison to those recorded at external hexagon implant-abutment joints after fatigue tests in a simulated oral environment for 72 hours.

Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on Sapphire.

PubMed

Jang, A-Rang; Hong, Seokmo; Hyun, Chohee; Yoon, Seong In; Kim, Gwangwoo; Jeong, Hu Young; Shin, Tae Joo; Park, Sung O; Wong, Kester; Kwak, Sang Kyu; Park, Noejung; Yu, Kwangnam; Choi, Eunjip; Mishchenko, Artem; Withers, Freddie; Novoselov, Kostya S; Lim, Hyunseob; Shin, Hyeon Suk

2016-05-11

Large-scale growth of high-quality hexagonal boron nitride has been a challenge in two-dimensional-material-based electronics. Herein, we present wafer-scale and wrinkle-free epitaxial growth of multilayer hexagonal boron nitride on a sapphire substrate by using high-temperature and low-pressure chemical vapor deposition. Microscopic and spectroscopic investigations and theoretical calculations reveal that synthesized hexagonal boron nitride has a single rotational orientation with AA' stacking order. A facile method for transferring hexagonal boron nitride onto other target substrates was developed, which provides the opportunity for using hexagonal boron nitride as a substrate in practical electronic circuits. A graphene field effect transistor fabricated on our hexagonal boron nitride sheets shows clear quantum oscillation and highly improved carrier mobility because the ultraflatness of the hexagonal boron nitride surface can reduce the substrate-induced degradation of the carrier mobility of two-dimensional materials.

The R package 'icosa' for coarse resolution global triangular and penta-hexagonal gridding

NASA Astrophysics Data System (ADS)

Kocsis, Adam T.

2017-04-01

With the development of the internet and the computational power of personal computers, open source programming environments have become indispensable for science in the past decade. This includes the increase of the GIS capacity of the free R environment, which was originally developed for statistical analyses. The flexibility of R made it a preferred programming tool in a multitude of disciplines from the area of the biological and geological sciences. Many of these subdisciplines operate with incidence (occurrence) data that are in a large number of cases to be grained before further analyses can be conducted. This graining is executed mostly by gridding data to cells of a Gaussian grid of various resolutions to increase the density of data in a single unit of the analyses. This method has obvious shortcomings despite the ease of its application: well-known systematic biases are induced to cell sizes and shapes that can interfere with the results of statistical procedures, especially if the number of incidence points influences the metrics in question. The 'icosa' package employs a common method to overcome this obstacle by implementing grids with roughly equal cell sizes and shapes that are based on tessellated icosahedra. These grid objects are essentially polyhedra with xyz Cartesian vertex data that are linked to tables of faces and edges. At its current developmental stage, the package uses a single method of tessellation which balances grid cell size and shape distortions, but its structure allows the implementation of various other types of tessellation algorithms. The resolution of the grids can be set by the number of breakpoints inserted into a segment forming an edge of the original icosahedron. Both the triangular and their inverted penta-hexagonal grids are available for creation with the package. The package also incorporates functions to look up coordinates in the grid very effectively and data containers to link data to the grid structure. The classes defined in the package are communicating with classes of the 'sp' and 'raster' packages and functions are supplied that allow resolution change and type conversions. Three-dimensional rendering is made available with the 'rgl' package and two-dimensional projections can be calculated using 'sp' and 'rgdal'. The package was developed as part of a project funded by the Deutsche Forschungsgemeinschaft (KO - 5382/1-1).

Gravity Effects in Diffusive Coarsening of Bubble Lattices: von Neumann's Law

NASA Technical Reports Server (NTRS)

Noever, David A.

2000-01-01

von Neumann modelled the evolution of two-dimensional soap froths as a purely diffusive phenomenon; the area growth of a given cell was found to depend only on the geometry of the bubble lattice. In the model, hexagons are stable, pentagons shrink and heptagons grow. The simplest equivalent to the area growth law is / approximately t(sub beta). The result depends on assuming (1) an incompressible gas; (2) bubble walls which meet at 120 deg and (3) constant wall thickness and curvature. Each assumption is borne out in experiments except the last one: bubble wall thickness between connecting cells varies in unit gravity because of gravity drainage. The bottom part of the soap membrane is thickened, the top part is thinned, such that gas diffusion across the membrane shows a complex dependence on gravity. As a result, experimental tests of von Neumann's law have been influenced by effects of gravity; fluid behavior along cell borders can give non-uniform wall thicknesses and thus alter the effective area and gas diffusion rates between adjacent bubbles. For area plotted as a function of time, Glazier (J.A. Glazier, S.P. Gross, and I. Stavans, Phys. Rev. A. 36, 306 (1987); J. Stavans, J.A, Glazier, Phys. Rev. Lett. 62, 1318 (1989).) suggest that in some cases their failure to observe von Neumann's predicted growth exponent ((sup beta)theor(sup =1; beta)exp(sup =0.70 + 0.10)) may have been the result of such "fluid drainage onto the lower glass plate". Additional experiments which varied plate spacing gave different beta exponents in a fashion consistent with this suggestion. During preliminary long duration experiments (approximately 100 h) aboard Spacelab-J, a low-gravity test of froth coarsening has examined (1) power law scaling of von Neumann's law (beta values) in the appropriate diffusive limits; (2) new bubble lattice dynamics such as greater fluid wetting behavior on froth membranes in low gravity; and (3) explicit relations for the gravity dependence of the second moment (or disorder parameter) governing the geometric spread in cell-sidedness around the mean of perfect hexagonal filling. By reducing the gravity-induced distortion in lattice wall thickness, the diffusion-limited regime of bubble coarsening becomes available for performing critical tests of network dynamics.

Influence of ibuprofen on phospholipid membranes

NASA Astrophysics Data System (ADS)

Jaksch, Sebastian; Lipfert, Frederik; Koutsioubas, Alexandros; Mattauch, Stefan; Holderer, Olaf; Ivanova, Oxana; Frielinghaus, Henrich; Hertrich, Samira; Fischer, Stefan F.; Nickel, Bert

2015-02-01

A basic understanding of biological membranes is of paramount importance as these membranes comprise the very building blocks of life itself. Cells depend in their function on a range of properties of the membrane, which are important for the stability and function of the cell, information and nutrient transport, waste disposal, and finally the admission of drugs into the cell and also the deflection of bacteria and viruses. We have investigated the influence of ibuprofen on the structure and dynamics of L-α -phosphatidylcholine (SoyPC) membranes by means of grazing incidence small-angle neutron scattering, neutron reflectometry, and grazing incidence neutron spin echo spectroscopy. From the results of these experiments, we were able to determine that ibuprofen induces a two-step structuring behavior in the SoyPC films, where the structure evolves from the purely lamellar phase for pure SoyPC over a superposition of two hexagonal phases to a purely hexagonal phase at high concentrations. A relaxation, which is visible when no ibuprofen is present in the membrane, vanishes upon addition of ibuprofen. This we attribute to a stiffening of the membrane. This behavior may be instrumental in explaining the toxic behavior of ibuprofen in long-term application.

Preliminary design study of small long life boiling water reactor (BWR) with tight lattice thorium nitride fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trianti, Nuri, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id; Su'ud, Zaki, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id; Arif, Idam, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id

2014-09-30

Neutronic performance of small long-life boiling water reactors (BWR) with thorium nitride based fuel has been performed. A recent study conducted on BWR in tight lattice environments (with a lower moderator percentage) produces small power reactor which has some specifications, i.e. 10 years operation time, power density of 19.1 watt/cc and maximum excess reactivity of about 4%. This excess reactivity value is smaller than standard reactivity of conventional BWR. The use of hexagonal geometry on the fuel cell of BWR provides a substantial effect on the criticality of the reactor to obtain a longer operating time. Supported by a tightmore » concept lattice where the volume fraction of the fuel is greater than the moderator and fuel, Thorium Nitride give good results for fuel cell design on small long life BWR. The excess reactivity of the reactor can be reduced with the addition of gadolinium as burnable poisons. Therefore the hexagonal tight lattice fuel cell design of small long life BWR that has a criticality more than 20 years of operating time has been obtained.« less

2D layered insulator hexagonal boron nitride enabled surface passivation in dye sensitized solar cells.

PubMed

Shanmugam, Mariyappan; Jacobs-Gedrim, Robin; Durcan, Chris; Yu, Bin

2013-11-21

A two-dimensional layered insulator, hexagonal boron nitride (h-BN), is demonstrated as a new class of surface passivation materials in dye-sensitized solar cells (DSSCs) to reduce interfacial carrier recombination. We observe ~57% enhancement in the photo-conversion efficiency of the DSSC utilizing h-BN coated semiconductor TiO2 as compared with the device without surface passivation. The h-BN coated TiO2 is characterized by Raman spectroscopy to confirm the presence of highly crystalline, mixed monolayer/few-layer h-BN nanoflakes on the surface of TiO2. The passivation helps to minimize electron-hole recombination at the TiO2/dye/electrolyte interfaces. The DSSC with h-BN passivation exhibits significantly lower dark saturation current in the low forward bias region and higher saturation in the high forward bias region, respectively, suggesting that the interface quality is largely improved without impeding carrier transport at the material interface. The experimental results reveal that the emerging 2D layered insulator could be used for effective surface passivation in solar cell applications attributed to desirable material features such as high crystallinity and self-terminated/dangling-bond-free atomic planes as compared with high-k thin-film dielectrics.

Assembly of the most topologically regular two-dimensional micro and nanocrystals with spherical, conical, and tubular shapes

NASA Astrophysics Data System (ADS)

Roshal, D. S.; Konevtsova, O. V.; Myasnikova, A. E.; Rochal, S. B.

2016-11-01

We consider how to control the extension of curvature-induced defects in the hexagonal order covering different curved surfaces. In these frames we propose a physical mechanism for improving structures of two-dimensional spherical colloidal crystals (SCCs). For any SCC comprising of about 300 or less particles the mechanism transforms all extended topological defects (ETDs) in the hexagonal order into the point disclinations. Perfecting the structure is carried out by successive cycles of the particle implantation and subsequent relaxation of the crystal. The mechanism is potentially suitable for obtaining colloidosomes with better selective permeability. Our approach enables modeling the most topologically regular tubular and conical two-dimensional nanocrystals including various possible polymorphic forms of the HIV viral capsid. Different HIV-like shells with an arbitrary number of structural units (SUs) and desired geometrical parameters are easily formed. Faceting of the obtained structures is performed by minimizing the suggested elastic energy.

Corneal endothelial cell density and morphology in normal Filipino eyes.

PubMed

Padilla, Ma Dominga B; Sibayan, Santiago Antonio B; Gonzales, Clarissa S A

2004-03-01

To describe the corneal endothelial cell density and morphology in normal adult Filipino eyes. Specular microscopy was performed in 640 eyes of 320 normal Filipino volunteers aged 20 to 86 years. Of these, 163 were male, and 157 were female. Mean cell density (MCD), mean cell area (MCA), coefficient of variation (CV) in cell size (polymegathism), and hexagonality were recorded and analyzed in relation to fellow eyes, gender, and age. MCD was 2798 +/- 307.2 cells/mm, and MCA was 363.0 +/- 40.3 microm. Results showed that women had a MCD 7.8% greater than men (P < 0.01). Regression analysis showed a consistent decrease in MCD (r = -0.47) and increase in MCA (r = 0.45) from 20 to 60 years of age. This was followed by a marked decrease in correlation and apparent trend reversal for both variables in the groups above 60 years (MCD r = 0.18, MCA r = -0.04) accompanied by a marked increase in CV in cell size (20-60 years r = -0.04, >60 years r = 0.33). A very low negative correlation (r = -0.10) was noted between hexagonality and increasing age through all age groups. The first normative data for the endothelium of Filipino eyes are reported. There are statistically significant differences in MCD between genders, and a consistent decrease in MCD and increase in MCA with age only until 60 years old, after which correlation between age and these variables decreases. Polymegathism and correlation between CV in cell size and age markedly increase after age 60.

Introduced Terrestrial Species Richness

EPA Pesticide Factsheets

These data represent predicted current distributions of all introduced mammals, birds, reptiles, amphibians and butterflies in the Middle-Atlantic region. These data are available for both 8-digit HUCs and EMAP hexagons. The data are species counts for each spatial unit. More information about these resources, including the variables used in this study, may be found here: https://edg.epa.gov/data/Public/ORD/NERL/ReVA/ReVA_Data.zip.

Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.

PubMed

Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed

2017-03-01

Highly connected and edge-transitive nets are of prime importance in crystal chemistry and are regarded as ideal blueprints for the rational design and construction of metal-organic frameworks (MOFs). We report the design and synthesis of highly connected MOFs based on reticulation of the sole two edge-transitive nets with a vertex figure as double six-membered-ring (d6R) building unit, namely the (4,12)-coordinated shp net (square and hexagonal-prism) and the (6,12)-coordinated alb net (aluminum diboride, hexagonal-prism and trigonal-prism). Decidedly, the combination of our recently isolated 12-connected (12-c) rare-earth (RE) nonanuclear [RE 9 (μ 3 -OH) 12 (μ 3 -O) 2 (O 2 C-) 12 ] carboxylate-based cluster, points of extension matching the 12 vertices of hexagonal-prism d6R, with 4-connected (4-c) square porphyrinic tetracarboxylate ligand led to the formation of the targeted RE-shp-MOF. This is the first time that RE-MOFs based on 12-c molecular building blocks (MBBs), d6R building units, have been deliberately targeted and successfully isolated, paving the way for the long-awaited (6,12)-c MOF with alb topology. Indeed, combination of a custom-designed hexacarboxylate ligand with RE salts led to the formation of the first related alb-MOF, RE-alb-MOF. Intuitively, we successfully transplanted the alb topology to another chemical system and constructed the first indium-based alb-MOF, In-alb-MOF, by employing trinuclear [In 3 (μ 3 -O)(O 2 C-) 6 ] as the requisite 6-connected trigonal-prism and purposely made a dodecacarboxylate ligand as a compatible 12-c MBB. Prominently, the dodecacarboxylate ligand was employed to transplant shp topology into copper-based MOFs by employing the copper paddlewheel [Cu 2 (O 2 C-) 4 ] as the complementary square building unit, affording the first Cu-shp-MOF. We revealed that highly connected edge-transitive nets such shp and alb are ideal for topological transplantation and deliberate construction of related MOFs based on minimal edge-transitive nets.

Rotating non-Boussinesq convection: oscillating hexagons

NASA Astrophysics Data System (ADS)

Moroz, Vadim; Riecke, Hermann; Pesch, Werner

2000-11-01

Within weakly nonlinear theory hexagon patterns are expected to undergo a Hopf bifurcation to oscillating hexagons when the chiral symmetry of the system is broken. Quite generally, the oscillating hexagons are expected to exhibit bistability of spatio-temporal defect chaos and periodic dynamics. This regime is described by the complex Ginzburg-Landau equation, which has been investigated theoretically in great detail. Its complex dynamics have, however, not been observed in experiments. Starting from the Navier-Stokes equations with realistic boundary conditions, we derive the three coupled real Ginzburg-Landau equations describing hexagons in rotating non-Boussinesq convection. We use them to provide quantitative results for the wavenumber range of stability of the stationary hexagons as well as the range of existence and stability of the oscillating hexagons. Our investigation is complemented by direct numerical simulations of the Navier-Stokes equations.

Bioinspired Surface for Surgical Graspers Based on the Strong Wet Friction of Tree Frog Toe Pads.

PubMed

Chen, Huawei; Zhang, Liwen; Zhang, Deyuan; Zhang, Pengfei; Han, Zhiwu

2015-07-01

Soft tissue damage is often at risk during the use of a surgical grasper, because of the strong holding force required to prevent slipping of the soft tissue in wet surgical environments. Improvement of wet friction properties at the interface between the surgical grasper and soft tissue can greatly reduce the holding force required and, thus, the soft tissue damage. To design and fabricate a biomimetic microscale surface with strong wet friction, the wet attachment mechanism of tree frog toe pads was investigated by observing their epithelial cell structure and the directionally dependent friction on their toe pads. Using these observations as inspiration, novel surface micropatterns were proposed for the surface of surgical graspers. The wet friction of biomimetic surfaces with various types of polygon pillar patterns involving quadrangular pillars, triangular pillars, rhomboid pillars, and varied hexagonal pillars were tested. The hexagonal pillar pattern exhibited improved wet frictional performance over the modern surgical grasper jaw pattern, which has conventional macroscale teeth. Moreover, the deformation of soft tissue in the bioinspired surgical grasper with a hexagonal pillar pattern is decreased, compared with the conventional surgical grasper.

Monte Carlo simulation of ion-neutral charge exchange collisions and grid erosion in an ion thruster

NASA Technical Reports Server (NTRS)

Peng, Xiaohang; Ruyten, Wilhelmus M.; Keefer, Dennis

1991-01-01

A combined particle-in-cell (PIC)/Monte Carlo simulation model has been developed in which the PIC method is used to simulate the charge exchange collisions. It is noted that a number of features were reproduced correctly by this code, but that its assumption of two-dimensional axisymmetry for a single set of grid apertures precluded the reproduction of the most characteristic feature of actual test data; namely, the concentrated grid erosion at the geometric center of the hexagonal aperture array. The first results of a three-dimensional code, which takes into account the hexagonal symmetry of the grid, are presented. It is shown that, with this code, the experimentally observed erosion patterns are reproduced correctly, demonstrating explicitly the concentration of sputtering between apertures.

Spiking Neurons in a Hierarchical Self-Organizing Map Model Can Learn to Develop Spatial and Temporal Properties of Entorhinal Grid Cells and Hippocampal Place Cells

PubMed Central

Pilly, Praveen K.; Grossberg, Stephen

2013-01-01

Medial entorhinal grid cells and hippocampal place cells provide neural correlates of spatial representation in the brain. A place cell typically fires whenever an animal is present in one or more spatial regions, or places, of an environment. A grid cell typically fires in multiple spatial regions that form a regular hexagonal grid structure extending throughout the environment. Different grid and place cells prefer spatially offset regions, with their firing fields increasing in size along the dorsoventral axes of the medial entorhinal cortex and hippocampus. The spacing between neighboring fields for a grid cell also increases along the dorsoventral axis. This article presents a neural model whose spiking neurons operate in a hierarchy of self-organizing maps, each obeying the same laws. This spiking GridPlaceMap model simulates how grid cells and place cells may develop. It responds to realistic rat navigational trajectories by learning grid cells with hexagonal grid firing fields of multiple spatial scales and place cells with one or more firing fields that match neurophysiological data about these cells and their development in juvenile rats. The place cells represent much larger spaces than the grid cells, which enable them to support navigational behaviors. Both self-organizing maps amplify and learn to categorize the most frequent and energetic co-occurrences of their inputs. The current results build upon a previous rate-based model of grid and place cell learning, and thus illustrate a general method for converting rate-based adaptive neural models, without the loss of any of their analog properties, into models whose cells obey spiking dynamics. New properties of the spiking GridPlaceMap model include the appearance of theta band modulation. The spiking model also opens a path for implementation in brain-emulating nanochips comprised of networks of noisy spiking neurons with multiple-level adaptive weights for controlling autonomous adaptive robots capable of spatial navigation. PMID:23577130

CuS nanoplates from ionic liquid precursors—Application in organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Kim, Yohan; Heyne, Benjamin; Abouserie, Ahed; Pries, Christopher; Ippen, Christian; Günter, Christina; Taubert, Andreas; Wedel, Armin

2018-05-01

Hexagonal p-type semiconductor CuS nanoplates were synthesized via a hot injection method from bis(trimethylsilyl)sulfide and the ionic liquid precursor bis(N-dodecylpyridinium) tetrachloridocuprate(ii). The particles have a broad size distribution with diameters between 30 and 680 nm and well-developed crystal habits. The nanoplates were successfully incorporated into organic photovoltaic (OPV) cells as hole conduction materials. The power conversion efficiency of OPV cells fabricated with the nanoplates is 16% higher than that of a control device fabricated without the nanoplates.

Sci-Thur AM: YIS – 06: A Monte Carlo study of macro- and microscopic dose descriptors and the microdosimetric spread using detailed cellular models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliver, Patricia; Thomson, Rowan

2016-08-15

Purpose: To develop Monte Carlo models of cell clusters to investigate the relationships between macro- and microscopic dose descriptors, quantify the microdosimetric spread in energy deposition for subcellular targets, and determine how these results depend on the computational model. Methods: Microscopic tissue structure is modelled as clusters of 13 to 150 cells, with cell (nuclear) radii between 5 and 10 microns (2 and 9 microns). Energy imparted per unit mass (specific energy or dose) is scored in the nucleus (D{sub nuc}) and cytoplasm (D{sub cyt}) for incident photon energies from 20 to 370 keV. Dose-to-water (D{sub w,m}) and dose-to-medium (D{submore » m,m}) are compared to D{sub nuc} and D{sub cyt}. Single cells and single nuclear cavities are also simulated. Results: D{sub nuc} and D{sub cyt} are sensitive to the surrounding environment with deviations of up to 13% for a single nucleus/cell compared with a multicellular cluster. These dose descriptors vary with cell and nucleus size by up to 10%. D{sub nuc} and D{sub cyt} differ from D{sub w,m} and D{sub m,m} by up to 32%. The microdosimetric spread is sensitive to whether cells are arranged randomly or in a hexagonal lattice, and whether subcellular compartment sizes are sampled from a normal distribution or are constant throughout the cluster. Conclusions: D{sub nuc} and D{sub cyt} are sensitive to cell morphology, elemental composition and the presence of surrounding cells. The microdosimetric spread was investigated using realistic elemental compositions for the nucleus and cytoplasm, and depends strongly on subcellular compartment size, source energy and dose.« less

[Automated analyser of organ cultured corneal endothelial mosaic].

PubMed

Gain, P; Thuret, G; Chiquet, C; Gavet, Y; Turc, P H; Théillère, C; Acquart, S; Le Petit, J C; Maugery, J; Campos, L

2002-05-01

Until now, organ-cultured corneal endothelial mosaic has been assessed in France by cell counting using a calibrated graticule, or by drawing cells on a computerized image. The former method is unsatisfactory because it is characterized by a lack of objective evaluation of the cell surface and hexagonality and it requires an experienced technician. The latter method is time-consuming and requires careful attention. We aimed to make an efficient, fast and easy to use, automated digital analyzer of video images of the corneal endothelium. The hardware included a PC Pentium III ((R)) 800 MHz-Ram 256, a Data Translation 3155 acquisition card, a Sony SC 75 CE CCD camera, and a 22-inch screen. Special functions for automated cell boundary determination consisted of Plug-in programs included in the ImageTool software. Calibration was performed using a calibrated micrometer. Cell densities of 40 organ-cultured corneas measured by both manual and automated counting were compared using parametric tests (Student's t test for paired variables and the Pearson correlation coefficient). All steps were considered more ergonomic i.e., endothelial image capture, image selection, thresholding of multiple areas of interest, automated cell count, automated detection of errors in cell boundary drawing, presentation of the results in an HTML file including the number of counted cells, cell density, coefficient of variation of cell area, cell surface histogram and cell hexagonality. The device was efficient because the global process lasted on average 7 minutes and did not require an experienced technician. The correlation between cell densities obtained with both methods was high (r=+0.84, p<0.001). The results showed an under-estimation using manual counting (2191+/-322 vs. 2273+/-457 cell/mm(2), p=0.046), compared with the automated method. Our automated endothelial cell analyzer is efficient and gives reliable results quickly and easily. A multicentric validation would allow us to standardize cell counts among cornea banks in our country.

A Double-Negative Metamaterial-Inspired Mobile Wireless Antenna for Electromagnetic Absorption Reduction

PubMed Central

Alam, Touhidul; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2015-01-01

A double-negative metamaterial-inspired antenna is presented for mobile wireless applications. The antenna consists of a semi-circular radiating patch and a 3 × 4 hexagonal shaped metamaterial unit cell array in the ground plane. The antenna is fed with a 50 Ω microstrip feed line. The electric dimensions of the proposed antenna are 0.20λ × 0.26λ × 0.004λ, at the low-end frequency. The proposed antenna achieves a −10 dB impedance with a bandwidth of 2.29 GHz at the lower band and 1.28 GHz at the upper band and can operate for most of the mobile applications such as upper GSM bands, WiMAX, Bluetooth, and wireless local area network (WLAN) frequency bands. The focused novelties of the proposed antenna are its small size, multi-standard operating bands, and electromagnetic absorption reduction at all the operating frequencies using the double-negative metamaterial ground plane. PMID:28793474

Crystallization and preliminary X-ray diffraction analysis of ScrY, a specific bacterial outer membrane porin.

PubMed

Forst, D; Schülein, K; Wacker, T; Diederichs, K; Kreutz, W; Benz, R; Welte, W

1993-01-05

The sucrose-specific outer membrane porin ScrY of Salmonella typhimurium was isolated from Escherichia coli K-12 strain KS 26 containing the plasmid pPSO112. The protein was purified to homogeneity by differential extraction of the cell envelope in the presence of the detergents sodium dodecyl sulfate and lauryl (dimethyl)-amine oxide (LDAO). The porin had apparent molecular weights of 58 kDa and 120 kDa for the monomer and for the trimer, respectively, on SDS/PAGE. The purified trimers were crystallized using poly(ethylene glycol) 2000 and the detergents octylglucoside (OG) and hexyl-(dimethyl)-amine oxide (C6DAO). X-ray diffraction of the crystals showed reflections to 2.3 A. The space group of the crystals was R3 and the lattice constants of the hexagonal axes were a = b = 112.85 A and c = 149.9 A. The crystal volume per unit of protein molecular weight was 3.47 A3/Da.

Synthesis of ZnO nanopencils using wet chemical method and its investigation as LPG sensor

NASA Astrophysics Data System (ADS)

Shimpi, Navinchandra G.; Jain, Shilpa; Karmakar, Narayan; Shah, Akshara; Kothari, D. C.; Mishra, Satyendra

2016-12-01

ZnO nanopencils (NPCs) were prepared by a novel wet chemical process, using triethanolamine (TEA) as a mild base, which is relatively simple and cost effective method as compared to hydrothermal method. ZnO NPCs were characterized using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy in mid-IR and far-IR regions, X-ray Photoelectron Spectroscopy (XPS), UV-vis (UV-vis) absorption spectroscopy, room temperature Photoluminescence (PL) spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). ZnO NPCs obtained, were highly pure, uniform and monodispersed.XRD pattern indicated hexagonal unit cell structure with preferred orientation along the c-axis. Sensing behaviour of ZnO NPCs was studied towards Liquefied Petroleum Gas (LPG) at different operating temperatures. The study shows that ZnO NPCs were most sensitive and promising candidate for detection of LPG at 250 °C with gas sensitivity > 60%. The high response towards LPG is due to high surface area of ZnO NPCs and their parallel alignment.

Mathematical modeling of polymer flooding using the unstructured Voronoi grid

NASA Astrophysics Data System (ADS)

Kireev, T. F.; Bulgakova, G. T.; Khatmullin, I. F.

2017-12-01

Effective recovery of unconventional oil reserves necessitates development of enhanced oil recovery techniques such as polymer flooding. The study investigated the model of polymer flooding with effects of adsorption and water salinity. The model takes into account six components that include elements of the classic black oil model. These components are polymer, salt, water, dead oil, dry gas and dissolved gas. Solution of the problem is obtained by finite volume method on unstructured Voronoi grid using fully implicit scheme and the Newton’s method. To compare several different grid configurations numerical simulation of polymer flooding is performed. The oil rates obtained by a hexagonal locally refined Voronoi grid are shown to be more accurate than the oil rates obtained by a rectangular grid with the same number of cells. The latter effect is caused by high solution accuracy near the wells due to the local grid refinement. Minimization of the grid orientation effect caused by the hexagonal pattern is also demonstrated. However, in the inter-well regions with large Voronoi cells flood front tends to flatten and the water breakthrough moment is smoothed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chung, Peter J.; Song, Chaeyeon; Deek, Joanna

Tau, an intrinsically disordered protein confined to neuronal axons, binds to and regulates microtubule dynamics. Although there have been observations of string-like microtubule fascicles in the axon initial segment (AIS) and hexagonal bundles in neurite-like processes in non-neuronal cells overexpressing Tau, cell-free reconstitutions have not replicated either geometry. Here we map out the energy landscape of Tau-mediated, GTP-dependent ‘active’ microtubule bundles at 37°C, as revealed by synchrotron SAXS and TEM. Widely spaced bundles (wall-to-wall distance D w–w≈25–41nm) with hexagonal and string-like symmetry are observed, the latter mimicking bundles found in the AIS. A second energy minimum (D w–w≈16–23nm) is revealedmore » under osmotic pressure. The wide spacing results from a balance between repulsive forces, due to Tau’s projection domain (PD), and a stabilizing sum of transient sub-k BT cationic/anionic charge–charge attractions mediated by weakly penetrating opposing PDs. In the end, we find that this landscape would be significantly affected by charge-altering modifications of Tau associated with neurodegeneration.« less

The addition of ortho-hexagon nano spinel Co3O4 to improve the performance of activated carbon air cathode microbial fuel cell.

PubMed

Ge, Baochao; Li, Kexun; Fu, Zhou; Pu, Liangtao; Zhang, Xi

2015-11-01

Commercial Co3O4 and ortho-hexagon spinel nano-Co3O4 (OHSNC) were doped in the AC at a different percentage (5%, 10% and 15%) to enhance the performance of microbial fuel cell (MFC). The maximum power density of MFC with 10% OHSNC doped cathode was 1500±14 mW m(-2), which was 97.36% and 41.24% higher than that with the bare AC air cathode and commercial Co3O4 respectively. The electrocatalytic behavior for their better performance was discussed in detail with the help of various structural and electrochemical techniques. The OHSNC was characterized via X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM). The results showed that the improved performance owed to the enhancement of both kinetics activity and the number of electron transfer in the ORR, and the internal resistance was largely reduced. Therefore, OHSNC was proved to be an excellent cathodic catalyst in AC air cathode MFC. Copyright © 2015 Elsevier Ltd. All rights reserved.

Molybdenum nitrides as oxygen reduction reaction catalysts: Structural and electrochemical studies

DOE PAGES

Cao, Bingfei; Neuefeind, Joerg C.; Adzic, Radoslav R.; ...

2015-02-09

Monometallic (δ-MoN, Mo 5N 6, and Mo 2N) and bimetallic molybdenum nitrides (Co 0.6Mo 1.4N 2) were investigated as electrocatalysts for the oxygen reduction reaction (ORR), which is a key half-reaction in hydrogen fuel cells. Monometallic hexagonal molybdenum nitrides are found to exhibit improved activities over rock salt type molybdenum nitride (γ-Mo 2N), suggesting that improvements are due to either the higher molybdenum valence or a more favorable coordination environment in the hexagonal structures. Further enhancements in activity were found for hexagonal bimetallic cobalt molybdenum nitride (Co 0.6Mo 1.4N 2), resulting in a modest onset potential of 0.713 V versusmore » reversible hydrogen electrode (RHE). Co 0.6Mo 1.4N 2 exhibits good stability in acidic environments, and in the potential range lower than 0.5 V versus RHE, the ORR appears to proceed via a four-electron mechanism based on the analysis of rotating disc electrode results. A redetermination of the structures of the binary molybdenum nitrides was carried out using neutron diffraction data, which is far more sensitive to nitrogen site positions than X-ray diffraction data. In conclusion, the revised monometallic hexagonal nitride structures all share many common features with the Co 0.6Mo 1.4N 2 structure, which has alternating layers of cations in octahedral and trigonal prismatic coordination, and are thus not limited to only trigonal prismatic Mo environments (as was originally postulated for δ-MoN).« less

Native Terrestrial Animal Species Richness

EPA Pesticide Factsheets

These data represent predicted current distributions of all native mammals, birds, reptiles, amphibians and butterflies in the Middle-Atlantic region. The data are available for both 8-digit HUCs and EMAP hexagons and represent total species counts for each spatial unit. More information about these resources, including the variables used in this study, may be found here: https://edg.epa.gov/data/Public/ORD/NERL/ReVA/ReVA_Data.zip.

Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21-Ge29

NASA Astrophysics Data System (ADS)

Yoo, S.; Zeng, X. C.

2006-05-01

We performed a constrained search for the geometries of low-lying neutral germanium clusters GeN in the size range of 21⩽N⩽29. The basin-hopping global optimization method is employed for the search. The potential-energy surface is computed based on the plane-wave pseudopotential density functional theory. A new series of low-lying clusters is found on the basis of several generic structural motifs identified previously for silicon clusters [S. Yoo and X. C. Zeng, J. Chem. Phys. 124, 054304 (2006)] as well as for smaller-sized germanium clusters [S. Bulusu et al., J. Chem. Phys. 122, 164305 (2005)]. Among the generic motifs examined, we found that two motifs stand out in producing most low-lying clusters, namely, the six/nine motif, a puckered-hexagonal-ring Ge6 unit attached to a tricapped trigonal prism Ge9, and the six/ten motif, a puckered-hexagonal-ring Ge6 unit attached to a bicapped antiprism Ge10. The low-lying clusters obtained are all prolate in shape and their energies are appreciably lower than the near-spherical low-energy clusters. This result is consistent with the ion-mobility measurement in that medium-sized germanium clusters detected are all prolate in shape until the size N ˜65.

Color Difference and Memory Recall in Free-Flying Honeybees: Forget the Hard Problem

PubMed Central

Dyer, Adrian G.; Garcia, Jair E.

2014-01-01

Free-flying honeybees acquire color information differently depending upon whether a target color is learnt in isolation (absolute conditioning), or in relation to a perceptually similar color (differential conditioning). Absolute conditioning allows for rapid learning, but color discrimination is coarse. Differential conditioning requires more learning trials, but enables fine discriminations. Currently it is unknown whether differential conditioning to similar colors in honeybees forms a long-term memory, and the stability of memory in a biologically relevant scenario considering similar or saliently different color stimuli. Individual free-flying honeybees (N = 6) were trained to similar color stimuli separated by 0.06 hexagon units for 60 trials and mean accuracy was 81.7% ± 12.2% s.d. Bees retested on subsequent days showed a reduction in the number of correct choices with increasing time from the initial training, and for four of the bees this reduction was significant from chance expectation considering binomially distributed logistic regression models. In contrast, an independent group of 6 bees trained to saliently different colors (>0.14 hexagon units) did not experience any decay in memory retention with increasing time. This suggests that whilst the bees’ visual system can permit fine discriminations, flowers producing saliently different colors are more easily remembered by foraging bees over several days. PMID:26462830

Color Difference and Memory Recall in Free-Flying Honeybees: Forget the Hard Problem.

PubMed

Dyer, Adrian G; Garcia, Jair E

2014-07-30

Free-flying honeybees acquire color information differently depending upon whether a target color is learnt in isolation (absolute conditioning), or in relation to a perceptually similar color (differential conditioning). Absolute conditioning allows for rapid learning, but color discrimination is coarse. Differential conditioning requires more learning trials, but enables fine discriminations. Currently it is unknown whether differential conditioning to similar colors in honeybees forms a long-term memory, and the stability of memory in a biologically relevant scenario considering similar or saliently different color stimuli. Individual free-flying honeybees (N = 6) were trained to similar color stimuli separated by 0.06 hexagon units for 60 trials and mean accuracy was 81.7% ± 12.2% s.d. Bees retested on subsequent days showed a reduction in the number of correct choices with increasing time from the initial training, and for four of the bees this reduction was significant from chance expectation considering binomially distributed logistic regression models. In contrast, an independent group of 6 bees trained to saliently different colors (>0.14 hexagon units) did not experience any decay in memory retention with increasing time. This suggests that whilst the bees' visual system can permit fine discriminations, flowers producing saliently different colors are more easily remembered by foraging bees over several days.

Development and testing of shingle-type solar cell modules. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shepard, N.F.

1979-02-28

The design, development, fabrication and testing of a shingle-type terrestrial solar cell module which produces 98 watts/m/sup 2/ of exposed module area at 1 kW/m/sup 2/ insolation and 61/sup 0/C are reported. These modules make it possible to easily incorporate photovoltaic power generation into the sloping roofs of residential or commercial buildings by simply nailing the modules to the plywood roof sheathing. This design consists of nineteen series-connected 53 mm diameter solar cells arranged in a closely packaged hexagon configuration. These cells are individually bonded to the embossed surface of a 3 mm thick thermally tempered hexagon-shaped piece of ASGmore » SUNADEX glass. Monsanto SAFLEX polyvinyl butyral is used as the laminating adhesive. RTVII functions as the encapsulant between the underside of the glass superstrate and a rear protective sheet of 0.8 mm thick TEXTOLITE. The semi-flexible portion of each shingle module is a composite laminate construction consisting of outer layers of B.F. Goodrich FLEXSEAL and an epichlorohydrin closed cell foam core. The module design has satisfactorily survived the JPL-defined qualification testing program which includes 50 thermal cycles between -40 and +90/sup 0/C, a seven-day temperature-humidity exposure test and a mechanical integrity test consisting of a bidirectional cyclic loading at 2390 Pa (50 lb/ft/sup 2/) which is intended to simulate loads due to a 45 m/s (100 mph) wind.« less

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

NASA Astrophysics Data System (ADS)

Xu, Ziwei; Yan, Tianying; Liu, Guiwu; Qiao, Guanjun; Ding, Feng

2015-12-01

To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results.To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06016h

Fatigue Failure of External Hexagon Connections on Cemented Implant-Supported Crowns.

PubMed

Malta Barbosa, João; Navarro da Rocha, Daniel; Hirata, Ronaldo; Freitas, Gileade; Bonfante, Estevam A; Coelho, Paulo G

2018-01-17

To evaluate the probability of survival and failure modes of different external hexagon connection systems restored with anterior cement-retained single-unit crowns. The postulated null hypothesis was that there would be no differences under accelerated life testing. Fifty-four external hexagon dental implants (∼4 mm diameter) were used for single cement-retained crown replacement and divided into 3 groups: (3i) Full OSSEOTITE, Biomet 3i (n = 18); (OL) OEX P4, Osseolife Implants (n = 18); and (IL) Unihex, Intra-Lock International (n = 18). Abutments were torqued to the implants, and maxillary central incisor crowns were cemented and subjected to step-stress-accelerated life testing in water. Use-level probability Weibull curves and probability of survival for a mission of 100,000 cycles at 200 N (95% 2-sided confidence intervals) were calculated. Stereo and scanning electron microscopes were used for failure inspection. The beta values for 3i, OL, and IL (1.60, 1.69, and 1.23, respectively) indicated that fatigue accelerated the failure of the 3 groups. Reliability for the 3i and OL (41% and 68%, respectively) was not different between each other, but both were significantly lower than IL group (98%). Abutment screw fracture was the failure mode consistently observed in all groups. Because the reliability was significantly different between the 3 groups, our postulated null hypothesis was rejected.

Analysis of the RPE sheet in the rd10 retinal degeneration model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Yi

2011-01-04

The normal RPE sheet in the C57Bl/6J mouse is subclassified into two major tiling patterns: A regular generally hexagonal array covering most of the surface and a 'soft network' near the ciliary body made of irregularly shaped cells. Physics models predict these two patterns based on contractility and elasticity of the RPE cell, and strength of cellular adhesion between cells. We hypothesized and identified major changes in RPE regular hexagonal tiling pattern in rdl0 compared to C57BL/6J mice. RPE sheet damage was extensive but occurred in rd10 later than expected, after most retinal degeneration. RPE sheet changes occur in zonesmore » with a bullseye pattern. In the posterior zone around the optic nerve RPE cells take on larger irregular and varied shapes to form an intact monolayer. In mid periphery, there is a higher than normal density of cells that progress into involuted layers of RPE under the retina. The periphery remains mostly normal until late stages of degeneration. The number of neighboring cells varies widely depending on zone and progression. RPE morphology continues to deteriorate long after the photoreceptors have degenerated. The RPE cells are bystanders to the rd10 degeneration within photo receptors, and the collateral damage to the RPE sheet resembles stimulation of migration or chemotaxis. Quantitative measures of the tiling patterns and histopathology detected here, scripted in a pipeline written in Perl and Cell Profiler (an open source Matlab plugin), are directly applicable to RPE sheet images from noninvasive fundus autofluorescence (FAF), adaptive optics confocal scanning laser ophthalmoscope (AO-cSLO), and spectral domain optical coherence tomography (SD-OCT) of patients with early stage AMD or RP.« less

Relation Between Macular Retinal Ganglion Cell/Inner Plexiform Layer Thickness and Multifocal Electroretinogram Measures in Experimental Glaucoma

PubMed Central

Luo, Xunda; Patel, Nimesh B.; Rajagopalan, Lakshmi P.; Harwerth, Ronald S.; Frishman, Laura J.

2014-01-01

Purpose. We investigated relations between macular retinal ganglion cell plus inner plexiform layer (RGC+IPL) thickness and macular retinal function revealed by multifocal electroretinonography (mfERG) in a nonhuman primate model of experimental glaucoma. Methods. Retinal ganglion cell (RGC) structure and function were followed with spectral-domain optical coherence tomography (SD-OCT) and ERGs in five macaques with unilateral experimental glaucoma. Linear regression was used to study correlations in control (Con) and experimental (Exp) eyes between peripapillary retinal nerve fiber layer (RNFL) thickness, macular RGC+IPL thickness, multifocal photopic negative response (mfPhNR) and high-frequency multifocal oscillatory potentials (mfOP) in slow-sequence mfERG, and low-frequency component (mfLFC) in global-flash mfERG. We used ANOVA and paired t-tests to compare glaucoma-related mfERG changes between superior and inferior hemifields, foveal hexagon, inner three rings, and four quadrants of macula. Results. Average macular RGC+IPL and temporal RNFL thickness were strongly correlated (r2 = 0.90, P < 0.001). In hexagon-by-hexagon analysis, all three mfERG measures were correlated (P < 0.001) with RGC+IPL thickness for Con (r2, 0.33–0.51) and Exp eyes (r2, 0.17–0.35). The RGC structural and functional metrics decreased as eccentricity increased. The reduction in amplitude of mfERG measures in Exp eyes relative to Con eyes was proportionally greater, in general, than the relative thinning of RGC+IPL at the same location for eyes in which structural loss was not evident, or mild to moderate. Although not statistically significant, percent amplitude reduction of mfERG measures was greatest in the inferior temporal quadrant. Conclusions. Macular RGC+IPL thickness and mfERG measures of RGC function can be complementary tools in assessing glaucomatous neuropathy. PMID:24970256

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han,W.Q.

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 ismore » 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 rhombohedral system consists of three-layered units: ABCABC..., whose honeycomb layers are arranged in a shifted phase, like as those of graphite. Reflecting its weak interlayer bond, the h-BN can be cleaved easily along its layers, and hence, is widely used as a lubricant material. The material is stable up to a high temperature of 2300 C before decomposition sets in [2] does not fuse a nitrogen atmosphere of 1 atm, and thus, is applicable as a refractory material. Besides having such properties, similar to those of graphite, the material is transparent, and acts as a good electric insulator, especially at high temperatures (10{sup 6} {Omega}m at 1000 C) [1]. c-BN and w-BN are tetrahedrally linked BN. The former has a cubic sphalerite-type structure, and the latter has a hexagonal wurtzite-type structure. c-BN is the second hardest known material (the hardest is diamond), the so-called white diamond. It is used mainly for grinding and cutting industrial ferrous materials because it does not react with molten iron, nickel, and related alloys at high temperatures whereas diamond does [1]. It displays the second highest thermal conductivity (6-9 W/cm.deg) after diamond. This chapter focuses principally upon information about h-BN nanomaterials, mainly BN nanotubes (BNNTs), porous BN, mono- and few-layer-BN sheets. There are good reviews book chapters about c-BN in [1, 4-6].« less

Characterization of Oxygen Storage and Structural Properties of Oxygen-Loaded Hexagonal R MnO 3+δ ( R = Ho, Er, and Y)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abughayada, C.; Dabrowski, B.; Kolesnik, S.

2015-09-22

Single-phase polycrystalline samples of stoichiometric RMnO3+delta (R = Er, Y, and Ho) were achieved in the hexagonal P6(3)cm structure through solid state reaction at, similar to 1300 degrees C. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger Ho and Y show rapid and reversible incorporation of large amounts of excess oxygen (0.3 > delta> 0) at an unusually low temperature range of similar to 190-325 degrees C, indicating the industrial usefulness of RMnO3+delta materials for lower cost thermal swing adsorption processes for oxygen separation from air. Further increase of the excess oxygen intake to delta similar tomore » 0.38 was achieved for all the investigated materials when annealed under high pressures of oxygen. The formation of three oxygen stable phases with 6 = 0, 0.28, and 0.38 was confirmed by thermogravimetric measurements, synchrotron X-rays, and neutron diffraction. In situ synchrotron diffraction proved the thermal stability of these single phases and the regions of their creation and coexistence, and demonstrated that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. Structural modeling using neutron powder diffraction for oxygen excess phases describes the formation and details of a large R3c superstructure observed for HoMnO3.28 by tripling the c-axis of the original parent unit cell. Modeling of the RMnO3.38 (R = Y and Er) oxygen-loaded phase converged on a structural model consistent with the symmetry of Pca2(1).« less

Optimal fold symmetry of LH2 rings on a photosynthetic membrane

PubMed Central

Cleary, Liam; Chen, Hang; Chuang, Chern; Silbey, Robert J.; Cao, Jianshu

2013-01-01

An intriguing observation of photosynthetic light-harvesting systems is the N-fold symmetry of light-harvesting complex 2 (LH2) of purple bacteria. We calculate the optimal rotational configuration of N-fold rings on a hexagonal lattice and establish two related mechanisms for the promotion of maximum excitation energy transfer (EET). (i) For certain fold numbers, there exist optimal basis cells with rotational symmetry, extendable to the entire lattice for the global optimization of the EET network. (ii) The type of basis cell can reduce or remove the frustration of EET rates across the photosynthetic network. We find that the existence of a basis cell and its type are directly related to the number of matching points S between the fold symmetry and the hexagonal lattice. The two complementary mechanisms provide selection criteria for the fold number and identify groups of consecutive numbers. Remarkably, one such group consists of the naturally occurring 8-, 9-, and 10-fold rings. By considering the inter-ring distance and EET rate, we demonstrate that this group can achieve minimal rotational sensitivity in addition to an optimal packing density, achieving robust and efficient EET. This corroborates our findings i and ii and, through their direct relation to S, suggests the design principle of matching the internal symmetry with the lattice order. PMID:23650366

Optimal fold symmetry of LH2 rings on a photosynthetic membrane.

PubMed

Cleary, Liam; Chen, Hang; Chuang, Chern; Silbey, Robert J; Cao, Jianshu

2013-05-21

An intriguing observation of photosynthetic light-harvesting systems is the N-fold symmetry of light-harvesting complex 2 (LH2) of purple bacteria. We calculate the optimal rotational configuration of N-fold rings on a hexagonal lattice and establish two related mechanisms for the promotion of maximum excitation energy transfer (EET). (i) For certain fold numbers, there exist optimal basis cells with rotational symmetry, extendable to the entire lattice for the global optimization of the EET network. (ii) The type of basis cell can reduce or remove the frustration of EET rates across the photosynthetic network. We find that the existence of a basis cell and its type are directly related to the number of matching points S between the fold symmetry and the hexagonal lattice. The two complementary mechanisms provide selection criteria for the fold number and identify groups of consecutive numbers. Remarkably, one such group consists of the naturally occurring 8-, 9-, and 10-fold rings. By considering the inter-ring distance and EET rate, we demonstrate that this group can achieve minimal rotational sensitivity in addition to an optimal packing density, achieving robust and efficient EET. This corroborates our findings i and ii and, through their direct relation to S, suggests the design principle of matching the internal symmetry with the lattice order.

Fast-Moving Bacteria Self-Organize into Active Two-Dimensional Crystals of Rotating Cells

NASA Astrophysics Data System (ADS)

Petroff, Alexander P.; Wu, Xiao-Lun; Libchaber, Albert

2015-04-01

We investigate a new form of collective dynamics displayed by Thiovulum majus, one of the fastest-swimming bacteria known. Cells spontaneously organize on a surface into a visually striking two-dimensional hexagonal lattice of rotating cells. As each constituent cell rotates its flagella, it creates a tornadolike flow that pulls neighboring cells towards and around it. As cells rotate against their neighbors, they exert forces on one another, causing the crystal to rotate and cells to reorganize. We show how these dynamics arise from hydrodynamic and steric interactions between cells. We derive the equations of motion for a crystal, show that this model explains several aspects of the observed dynamics, and discuss the stability of these active crystals.

Chain hexagonal cacti with the extremal eccentric distance sum.

PubMed

Qu, Hui; Yu, Guihai

2014-01-01

Eccentric distance sum (EDS), which can predict biological and physical properties, is a topological index based on the eccentricity of a graph. In this paper we characterize the chain hexagonal cactus with the minimal and the maximal eccentric distance sum among all chain hexagonal cacti of length n, respectively. Moreover, we present exact formulas for EDS of two types of hexagonal cacti.

Synthesis and structural characterization of the Zintl phases Na{sub 3}Ca{sub 3}TrPn{sub 4}, Na{sub 3}Sr{sub 3}TrPn{sub 4}, and Na{sub 3}Eu{sub 3}TrPn{sub 4} (Tr=Al, Ga, In; Pn=P, As, Sb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yi; Suen, Nian-Tzu; College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002

15 new quaternary Zintl phases have been synthesized by solid-state reactions from the respective elements, and their structures have been determined by single-crystal X-ray diffraction. Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) crystallize in the hexagonal crystal system with the non-centrosymmetric space group P6{sub 3}mc (No. 186). The structure represents a variant of the K{sub 6}HgS{sub 4} structure type (Pearson index hP22) and features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. The nominal formula rationalization [Na{sup +}]{sub 3}[E{sup 2+}]{sub 3}[TrPn{sub 4}]{sup 9–} follows themore » octet rule, suggesting closed-shell configurations for all atoms and intrinsic semiconducting behavior. However, structure refinements for several members hint at disorder and mixing of cations that potentially counteract the optimal valence electron count. - Graphical abstract: The hexagonal, non-centrosymmetric structure of Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. - Highlights: • 15 quaternary phosphides, arsenides, and antimonides are synthesized and structurally characterized. • The structure is a variant of the hexagonal K{sub 6}HgS{sub 4}-type, with distinctive pattern for the cations. • Occupational and/or positional disorder of yet unknown origin exists for some members of the series.« less

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 stable hexagonal shape that rotates with very nearly the same period as Saturns rotational period.The formation of this hexagon depends on factors such as the initial amplitude and curvature of the jet. The models treatment of the wind profile within Saturns atmosphere is another key component that allowed them to match the observed characteristics of the Hexagon, such as its shape, vorticity behavior, temperature gradient, and seasonal stability.BonusThe gif below shows part of an animation the authors produced of the jet evolution in their model. You can see a hexagon begin to develop at around 230 days into the simulation, and by about 400 days it becomes stable and non-rotating (were looking at it from a reference frame rotating with Saturn). The full animation can be viewed here. [Morales-Juberas et al., 2015]CitationR. Morales-Juberas et al.2015 ApJ 806 L18 doi:10.1088/2041-8205/806/1/L18

Pressure induced structural phase transition of OsB 2: First-principles calculations

NASA Astrophysics Data System (ADS)

Ren, Fengzhu; Wang, Yuanxu; Lo, V. C.

2010-04-01

Orthorhombic OsB 2 was synthesized at 1000 °C and its compressibility was measured by using the high-pressure X-ray diffraction in a Diacell diamond anvil cell from ambient pressure to 32 GPa [R.W. Cumberland, et al. (2005)]. First-principles calculations were performed to study the possibility of the phase transition of OsB 2. An analysis of the calculated enthalpy shows that orthorhombic OsB 2 can transfer to the hexagonal phase at 10.8 GPa. The calculated results with the quasi-harmonic approximation indicate that this phase transition pressure is little affected by the thermal effect. The calculated phonon band structure shows that the hexagonal P 6 3/ mmc structure (high-pressure phase) is stable for OsB 2. We expect the phase transition can be further confirmed by the experimental work.

Fabrication of high-density In3Sb1Te2 phase change nanoarray on glass-fabric reinforced flexible substrate

NASA Astrophysics Data System (ADS)

Yoon, Jong Moon; Shin, Dong Ok; Yin, You; Seo, Hyeon Kook; Kim, Daewoon; In Kim, Yong; Jin, Jung Ho; Kim, Yong Tae; Bae, Byeong-Soo; Ouk Kim, Sang; Lee, Jeong Yong

2012-06-01

Mushroom-shaped phase change memory (PCM) consisting of a Cr/In3Sb1Te2 (IST)/TiN (bottom electrode) nanoarray was fabricated via block copolymer lithography and single-step dry etching with a gas mixture of Ar/Cl2. The process was performed on a high performance transparent glass-fabric reinforced composite film (GFR Hybrimer) suitable for use as a novel substrate for flexible devices. The use of GFR Hybrimer with low thermal expansion and flat surfaces enabled successful nanoscale patterning of functional phase change materials on flexible substrates. Block copolymer lithography employing asymmetrical block copolymer blends with hexagonal cylindrical self-assembled morphologies resulted in the creation of hexagonal nanoscale PCM cell arrays with an areal density of approximately 176 Gb/in2.

Expression, purification, crystallization and initial crystallographic characterization of the p-hydroxybenzoate hydroxylase from Corynebacterium glutamicum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, Soo-Young; Kang, Beom Sik; Kim, Ghyung-Hwa

2007-11-01

PHBH from Corynebacterium glutamicum was crystallized using the hanging-drop vapour-diffusion method in the presence of NaH{sub 2}PO{sub 4} and K{sub 2}HPO{sub 4} as precipitants. X-ray diffraction data were collected to a maximum resolution of 2.5 Å on a synchrotron beamline. p-Hydroxybenzoate hydroxylase (PHBH) is an FAD-dependent monooxygenase that catalyzes the hydroxylation of p-hydroxybenzoate (pOHB) to 3,4-dihydroxybenzoate in an NADPH-dependent reaction and plays an important role in the biodegradation of aromatic compounds. PHBH from Corynebacterium glutamicum was crystallized using the hanging-drop vapour-diffusion method in the presence of NaH{sub 2}PO{sub 4} and K{sub 2}HPO{sub 4} as precipitants. X-ray diffraction data were collectedmore » to a maximum resolution of 2.5 Å on a synchrotron beamline. The crystal belongs to the hexagonal space group P6{sub 3}22, with unit-cell parameters a = b = 94.72, c = 359.68 Å, γ = 120°. The asymmetric unit contains two molecules, corresponding to a packing density of 2.65 Å{sup 3} Da{sup −1}. The structure was solved by molecular replacement. Structure refinement is in progress.« less

Experimental studies of transplutonium metals and compounds under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, J.R.; Haire, R.G.; Benedict, U.

1986-01-01

The structural behavior of the first four transplutonium metals and two Bk-Cf alloys as a function of pressure has been studied in diamond anvil cells via x-ray diffraction. The sequence of structures exhibited as pressure is increased is dhcp ..-->.. ccp ..-->.. orthorhombic. In addition a distorted ccp phase is observed in Am, Bk/sub 0.40/Cf/sub 0.60/, and Cf between the ccp and orthorhombic phases. Diamond anvil cells have also been used to contain AmI/sub 3/, CfBr/sub 3/, and CfCl/sub 3/ under pressure for investigation by absorption spectrophotometry. Both AmI/sub 3/ and CfBr/sub 3/ exhibit pressure-induced, irreversible phase transformations to themore » PuBr/sub 3/-type orthorhombic structure, a more dense form of these compounds. Thus the driving force for these transformations is more efficient crystal packing. Both hexagonal (to 22 GPa) and orthorhombic (to 35 GPa) CfCl/sub 3/ exhibit only reversible spectral changes with pressure. This probably reflects their nearly identical RTP unit cell volumes. In both cases the spectra obtained are consistent with a continuous alteration of the RTP structure with pressure; physical compression seems to make a given f-f transition easier. Additional data are being sought to elucidate more completely the behavior of CfCl/sub 3/ under pressure. 23 refs., 4 figs.« less

A topological coordinate system for the diamond cubic grid.

PubMed

Čomić, Lidija; Nagy, Benedek

2016-09-01

Topological coordinate systems are used to address all cells of abstract cell complexes. In this paper, a topological coordinate system for cells in the diamond cubic grid is presented and some of its properties are detailed. Four dependent coordinates are used to address the voxels (triakis truncated tetrahedra), their faces (hexagons and triangles), their edges and the points at their corners. Boundary and co-boundary relations, as well as adjacency relations between the cells, can easily be captured by the coordinate values. Thus, this coordinate system is apt for implementation in various applications, such as visualizations, morphological and topological operations and shape analysis.

Effect of platform connection and abutment material on stress distribution in single anterior implant-supported restorations: a nonlinear 3-dimensional finite element analysis.

PubMed

Carvalho, Marco Aurélio; Sotto-Maior, Bruno Salles; Del Bel Cury, Altair Antoninha; Pessanha Henriques, Guilherme Elias

2014-11-01

Although various abutment connections and materials have recently been introduced, insufficient data exist regarding the effect of stress distribution on their mechanical performance. The purpose of this study was to investigate the effect of different abutment materials and platform connections on stress distribution in single anterior implant-supported restorations with the finite element method. Nine experimental groups were modeled from the combination of 3 platform connections (external hexagon, internal hexagon, and Morse tapered) and 3 abutment materials (titanium, zirconia, and hybrid) as follows: external hexagon-titanium, external hexagon-zirconia, external hexagon-hybrid, internal hexagon-titanium, internal hexagon-zirconia, internal hexagon-hybrid, Morse tapered-titanium, Morse tapered-zirconia, and Morse tapered-hybrid. Finite element models consisted of a 4×13-mm implant, anatomic abutment, and lithium disilicate central incisor crown cemented over the abutment. The 49 N occlusal loading was applied in 6 steps to simulate the incisal guidance. Equivalent von Mises stress (σvM) was used for both the qualitative and quantitative evaluation of the implant and abutment in all the groups and the maximum (σmax) and minimum (σmin) principal stresses for the numerical comparison of the zirconia parts. The highest abutment σvM occurred in the Morse-tapered groups and the lowest in the external hexagon-hybrid, internal hexagon-titanium, and internal hexagon-hybrid groups. The σmax and σmin values were lower in the hybrid groups than in the zirconia groups. The stress distribution concentrated in the abutment-implant interface in all the groups, regardless of the platform connection or abutment material. The platform connection influenced the stress on abutments more than the abutment material. The stress values for implants were similar among different platform connections, but greater stress concentrations were observed in internal connections. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Threatened and Endangered Terrestrial Animal Species Richness

EPA Pesticide Factsheets

These data represent predicted current distributions of all U.S. listed threatened and endangered mammals, birds, reptiles, and amphibians in the Middle-Atlantic region. The data are available for both 8-digit HUCs and EMAP hexagons and represent total species counts for each spatial unit. More information about these resources, including the variables used in this study, may be found here: https://edg.epa.gov/data/Public/ORD/NERL/ReVA/ReVA_Data.zip.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suen, Nian-Tzu; Broda, Matthew; Bobev, Svilen, E-mail: bobev@udel.edu

Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–germanides with a general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu; x<2). All twelve phases are isotypic, crystallizing with the Mn{sub 5}Si{sub 3} structure type (Pearson index hP16, hexagonal space group P6{sub 3}/mcm); they are the Ca-substituted variants of the corresponding RE{sub 5}Ge{sub 3} binaries. Across the series, despite some small variations in the Ca-uptake, the unit cell volumes decrease monotonically, following the lanthanide contraction. Temperature dependent DC magnetization measurements reveal paramagnetic behavior in the high temperature range, and the obtained effectivemore » moments are consistent with free-ion RE{sup 3+} ground state, as expected from prior studies of the binary RE{sub 5}Ge{sub 3} phases. The onset of magnetic ordering is observed in the low temperature range, and complex magnetic interactions (ferromagnetic/ferrimagnetic) can be inferred, different from the binary phases RE{sub 5}Ge{sub 3}, which are known as antiferromagnetic. In order to understand the role of Ca in the bonding, the electronic structures of the La{sub 5}Ge{sub 3} and the hypothetical compounds La{sub 2}Ca{sub 3}Ge{sub 3} and La{sub 3}Ca{sub 2}Ge{sub 3} with ordered metal atoms are compared and discussed. - Graphical abstract: The family of rare-earth metal–calcium–germanides with the general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) crystallize in the hexagonal space group P6{sub 3}/mcm (No. 193, Pearson symbol hP16) with a structure that is a variant of the Mn{sub 5}Si{sub 3} structure type. - Highlights: • The newly synthesized RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) constitute an extended family. • The structure is a substitution variant of the hexagonal Mn{sub 5}Si{sub 3} structure type. • Ca-uptake is the highest in the early members, and decreases for the late rare-earth metal analogs. • Experimental and theoretical work suggest limiting solubility range RE{sub ≈3}Ca{sub ≈2}Ge{sub 3}.« less

Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, David S.

2017-06-13

We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although amore » large T c value is unlikely.« less

Liquid Crystalline Assembly of Coil-Rod-Coil Molecules with Lateral Methyl Groups into 3-D Hexagonal and Tetragonal Assemblies

PubMed Central

Wang, Zhuoshi; Lan, Yu; Zhong, Keli; Liang, Yongri; Chen, Tie; Jin, Long Yi

2014-01-01

In this paper, we report the synthesis and self-assembly behavior of coil-rod-coil molecules, consisting of three biphenyls linked through a vinylene unit as a conjugated rod segment and poly(ethylene oxide) (PEO) with a degree of polymerization (DP) of 7, 12 and 17, incorporating lateral methyl groups between the rod and coil segments as the coil segment. Self-organized investigation of these molecules by means of differential scanning calorimetry (DSC), thermal polarized optical microscopy (POM) and X-ray diffraction (XRD) reveals that the lateral methyl groups attached to the surface of rod and coil segments, dramatically influence the self-assembling behavior in the liquid-crystalline mesophase. Molecule 1 with a relatively short PEO coil length (DP = 7) self-assembles into rectangular and oblique 2-dimensional columnar assemblies, whereas molecules 2 and 3 with DP of 12 and 17 respectively, spontaneously self-organize into unusual 3-dimensional hexagonal close-packed or body-centered tetragonal assemblies. PMID:24699045

Kirchhoff index of linear hexagonal chains

NASA Astrophysics Data System (ADS)

Yang, Yujun; Zhang, Heping

The resistance distance rij between vertices i and j of a connected (molecular) graph G is computed as the effective resistance between nodes i and j in the corresponding network constructed from G by replacing each edge of G with a unit resistor. The Kirchhoff index Kf(G) is the sum of resistance distances between all pairs of vertices. In this work, according to the decomposition theorem of Laplacian polynomial, we obtain that the Laplacian spectrum of linear hexagonal chain Ln consists of the Laplacian spectrum of path P2n+1 and eigenvalues of a symmetric tridiagonal matrix of order 2n + 1. By applying the relationship between roots and coefficients of the characteristic polynomial of the above matrix, explicit closed-form formula for Kirchhoff index of Ln is derived in terms of Laplacian spectrum. To our surprise, the Krichhoff index of Ln is approximately to one half of its Wiener index. Finally, we show that holds for all graphs G in a class of graphs including Ln.0

Technique for the control of the crystal habit of ultrafine particles in the gas-evaporation technique

NASA Astrophysics Data System (ADS)

Kasukabe, S.; Mihama, K.

1986-12-01

Magnesium ultrafine particles have clear-cut habits such as hexagonal plates and polyhedra. When magnesium is evaporated downwards using a tube with holes at the bottom, hexagonal plates are formed exclusively throughout the smoke. Their size is controlled by selecting an inert gas. The growth process of an hexagonal plate can be considered to be a coalescent growth of other hexagonal plates.

Thermal conductivity of hexagonal Si, Ge, and Si1-xGex alloys from first-principles

NASA Astrophysics Data System (ADS)

Gu, Xiaokun; Zhao, C. Y.

2018-05-01

Hexagonal Si and Ge with a lonsdaleite crystal structure are allotropes of silicon and germanium that have recently been synthesized. These materials as well as their alloys are promising candidates for novel applications in optoelectronics. In this paper, we systematically study the phonon transport and thermal conductivity of hexagonal Si, Ge, and their alloys by using the first-principle-based Peierls-Boltzmann transport equation approach. Both three-phonon and four-phonon scatterings are taken into account in the calculations as the phonon scattering mechanisms. The thermal conductivity anisotropy of these materials is identified. While the thermal conductivity parallel to the hexagonal plane for hexagonal Si and Ge is found to be larger than that perpendicular to the hexagonal plane, alloying effectively tunes the thermal conductivity anisotropy by suppressing the thermal conductivity contributions from the middle-frequency phonons. The importance of four-phonon scatterings is assessed by comparing the results with the calculations without including four-phonon scatterings. We find that four-phonon scatterings cannot be ignored in hexagonal Si and Ge as the thermal conductivity would be overestimated by around 10% (40%) at 300 K (900) K. In addition, the phonon mean free path distribution of hexagonal Si, Ge, and their alloys is also discussed.

Structure and spectra of H/sub 2/O in hydrated. beta. -alumina

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bates, J.B.; Dudney, N.J.; Brown, G.M.

1982-11-15

The structure and spectra of hydrated Li and Na ..beta..-alumina were investigated using neutron diffraction, infrared absorption, and Raman scattering. The dimensions of the hexagonal unit cell of a hydrated Li ..beta..-alumina crystal containing 1.55 H/sub 2/O molecules per unit cell are a = 5.591 A and c = 22.715 A. The oxygen atoms of the water molecules are located in the conduction plane between the mO, and the aBR sites; the protons, located above the below the plane, form bent hydrogen bonds with the O(4) oxygen ions. The HOH bond angle of water in Li ..beta..-alumina is 114/sup 0/more » and the Vertical BarO--HVertical Bar bond distance is 0.992 A. Based on polarized infrared spectra, H/sub 2/O adopts a similar structure and orientation in Na ..beta..-alumina. Spectra of absorbed H/sub 2/O, D/sub 2/O, and HDO species show that water molecules dissociate in Li ..beta..-alumina to form OH/sup -/ and H(H/sub 2/O)/sup +//sub n/ species. No evidence was found for the dissociation of water in Na ..beta..-alumina. The absorption coefficients determined for OH/sup -/ and H/sub 2/O in Li ..beta..-alumina include local field corrections. A large local field anisotropy at the protons of H/sub 2/O is responsible for the large ratio of the intensities of ..nu../sub 3/ and ..nu../sub 1/ observed for water in Li and Na ..beta..-alumina.« less

Synthesis, characterization and electrocatalytic properties of delafossite CuGaO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmed, Jahangeer; Department of Chemistry, College of Science, King Saud University, Riyadh 11451; Mao, Yuanbing, E-mail: yuanbing.mao@utrgv.edu

2016-10-15

Delafossite CuGaO{sub 2} has been employed as photocatalysts for solar cells, but their electrocatalytic properties have not been extensively studied, especially no comparison among samples made by different synthesis routes. Herein, we first reported the successful synthesis of delafossite CuGaO{sub 2} particles with three different morphologies, i.e. nanocrystalline hexagons, sub-micron sized plates and micron–sized particles by a modified hydrothermal method at 190 °C for 60 h [1–3], a sono-chemical method followed by firing at 850 °C for 48 h, and a solid state route at 1150 °C, respectively. Morphology, composition and phase purity of the synthesized samples was confirmed bymore » powder X-ray diffraction and Raman spectroscopic studies, and then their electrocatalytic performance as active and cost effective electrode materials to the oxygen and hydrogen evolution reactions in 0.5 M KOH electrolyte versus Ag/AgCl was investigated and compared under the same conditions for the first time. The nanocrystalline CuGaO{sub 2} hexagons show enhanced electrocatalytic activity than the counterpart sub-micron sized plates and micron-sized particles. - Graphical abstract: Representative delafossite CuGaO2 samples with sub-micron sized plate and nanocrystalline hexagon morphologies accompanying with chronoamperometric voltammograms for oxygen evolution reaction and hydrogen evolution reaction in 0.5 M KOH electrolyte after purged with N{sub 2} gas. - Highlights: • Delafossite CuGaO{sub 2} with three morphologies has been synthesized. • Phase purity of the synthesized samples was confirmed. • Comparison on their electrocatalytic properties was made for the first time. • Their use as electrodes for oxygen and hydrogen evolution reactions was evaluated. • Nanocrystalline CuGaO{sub 2} hexagons show highest electrocatalytic activity.« less

Structure of 18R shifted hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} revisited by neutron diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Fengqi; Kuang, Xiaojun, E-mail: kuangxj@glut.edu.cn

The structure of 18-layer shifted B-site deficient hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} compound has been re-examined by neutron powder diffraction. Structural analysis reveals that La{sub 6}MgTi{sub 4}O{sub 18} compound adopts a 18R octahedral-tilted structure with LaO{sub 3} layer stacking sequence of (hhcccc){sub 3} in space group R{sup {sup -}}3, in contrast with the previously proposed R3m. La{sub 6}MgTi{sub 4}O{sub 18} demonstrates partially ordered Mg cation distribution with a preference on the central octahedral sites over the outer octahedral sites in the cubic perovskite blocks isolated by the single vacant octahedral layers between the two consecutive hexagonal layers. The instabilitymore » of the La{sub 6}MgTi{sub 4}O{sub 18} on alumina ceramic substrate at high temperature and its dependencies of cell parameters and permittivity were characterized as well. - Graphical abstract: 18-layer shifted hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} adopts octahedral-tilted structure in R{sup {sup -}}3 and demonstrates partially ordered Mg distribution in the cubic perovskite blocks isolated by the vacant octahedral layers. - Highlights: • Neutron diffraction reveals an octahedra-tilted structure in R{sup {sup -}}3 for La{sub 6}MgTi{sub 4}O{sub 18}. • Mg/Ti distribution in La{sub 6}MgTi{sub 4}O{sub 18} is partially ordered in the perovskite blocks. • Instability of La{sub 6}MgTi{sub 4}O{sub 18} on alumina ceramic at high temperature is demonstrated.« less

New Rhenium-Doped SrCo1−xRexO3−δ Perovskites Performing as Cathodes in Solid Oxide Fuel Cells

PubMed Central

Troncoso, Loreto; Gardey, María Celeste; Fernández-Díaz, María Teresa; Alonso, José Antonio

2016-01-01

In the aim to stabilize novel three-dimensional perovskite oxides based upon SrCoO3−δ, we have designed and prepared SrCo1−xRexO3−δ phases (x = 0.05 and 0.10), successfully avoiding the competitive hexagonal 2H polytypes. Their performance as cathode materials in intermediate-temperature solid oxide fuel cells (IT-SOFC) has been investigated. The characterization of these oxides included X-ray (XRD) and in situ temperature-dependent neutron powder diffraction (NPD) experiments for x = 0.10. At room temperature, SrCo1−xRexO3−δ perovskites are defined in the P4/mmm space group, which corresponds to a subtle tetragonal perovskite superstructure with unit-cell parameters a = b ≈ ao, c = 2ao (ao = 3.861 and 3.868 Å, for x = 0.05 and 0.10, respectively). The crystal structure evolves above 380 °C to a simple cubic perovskite unit cell, as observed from in-situ NPD data. The electrical conductivity gave maximum values of 43.5 S·cm−1 and 51.6 S·cm−1 for x = 0.05 and x = 0.10, respectively, at 850 °C. The area specific resistance (ASR) polarization resistance determined in symmetrical cells is as low as 0.087 Ω·cm2 and 0.065 Ω·cm2 for x = 0.05 and x = 0.10, respectively, at 850 °C. In single test cells these materials generated a maximum power of around 0.6 W/cm2 at 850 °C with pure H2 as a fuel, in an electrolyte-supported configuration with La0.8Sr0.2Ga0.83Mg0.17O3−δ (LSGM) as the electrolyte. Therefore, we propose the SrCo1−xRexO3−δ (x = 0.10 and 0.05) perovskite oxides as promising candidates for cathodes in IT-SOFC. PMID:28773844

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.

Magnetic self-orientation of lyotropic hexagonal phases based on long chain alkanoic (fatty) acids.

PubMed

Douliez, Jean-Paul

2010-07-06

It is presently shown that long chain (C14, C16, and C18) alkanoic (saturated fatty) acids can form magnetically oriented hexagonal phases in aqueous concentrated solutions in mixtures with tetrabutylammonium (TBAOH) as the counterion. The hexagonal phase occurred for a molar ratio, alkanoic acid/TBAOH, higher than 1, i.e., for an excess of fatty acid. The hexagonal phase melted to an isotropic phase (micelles) upon heating at a given temperature depending on the alkyl chain length. The self-orientation of the hexagonal phase occurred upon cooling from the "high-temperature" isotropic phase within the magnetic field. The long axis of the hexagonal phase was shown to self-orient parallel to the magnetic field as evidenced by deuterium solid-state NMR. This finding is expected to be of interest in the field of structural biology and materials chemistry for the synthesis of oriented materials.

Electric crosstalk impairs spatial resolution of multi-electrode arrays in retinal implants

NASA Astrophysics Data System (ADS)

Wilke, R. G. H.; Khalili Moghadam, G.; Lovell, N. H.; Suaning, G. J.; Dokos, S.

2011-08-01

Active multi-electrode arrays are used in vision prostheses, including optic nerve cuffs and cortical and retinal implants for stimulation of neural tissue. For retinal implants, arrays with up to 1500 electrodes are used in clinical trials. The ability to convey information with high spatial resolution is critical for these applications. To assess the extent to which spatial resolution is impaired by electric crosstalk, finite-element simulation of electric field distribution in a simplified passive tissue model of the retina is performed. The effects of electrode size, electrode spacing, distance to target cells, and electrode return configuration (monopolar, tripolar, hexagonal) on spatial resolution is investigated in the form of a mathematical model of electric field distribution. Results show that spatial resolution is impaired with increased distance from the electrode array to the target cells. This effect can be partly compensated by non-monopolar electrode configurations and larger electrode diameters, albeit at the expense of lower pixel densities due to larger covering areas by each stimulation electrode. In applications where multi-electrode arrays can be brought into close proximity to target cells, as presumably with epiretinal implants, smaller electrodes in monopolar configuration can provide the highest spatial resolution. However, if the implantation site is further from the target cells, as is the case in suprachoroidal approaches, hexagonally guarded electrode return configurations can convey higher spatial resolution. This paper was originally submitted for the special issue containing contributions from the Sixth Biennial Research Congress of The Eye and the Chip.

Syntheses, Crystal Structures, and Properties of New Layered Tungsten(VI)-Containing Materials Based on the Hexagonal-WO 3 Structure: M2(WO 3) 3SeO 3 ( M = NH 4, Rb, Cs)

NASA Astrophysics Data System (ADS)

Harrison, William T. A.; Dussack, Laurie L.; Vogt, Thomas; Jacobson, Allan J.

1995-11-01

The hydrothermal syntheses and crystal structures of (NH4)2(WO3)3SeO3 and Cs2(WO3)3SeO3, two new noncentrosymmetric, layered tungsten(VI)-containing phases are reported. Infrared, Raman, and thermogravimetric data are also presented. (NH4)2(WO3)3SeO3 and Cs2(WO3)3SeO3 are isostructural phases built up from hexagonal-tungsten-oxide-like, anionic layers of vertex-sharing WO6 octahedra, capped on one side by Se atoms (as selenite groups). Interlayer NH+4 or Cs+ cations provide charge balance. The full H-bonding scheme in (NH4)2(WO3)3SeO3 has been elucidated from Rietveld refinement against neutron powder diffraction data. The WO6 octahedra display a 3 short + 3 long W-O bond-distance distribution within the WO6 unit in both these phases. (NH4)2(WO3)3SeO3 and Cs2(WO3)3SeO3 are isostructural with their molybdenum(VI)-containing analogues (NH4)2(MoO3)3SeO3 and Cs2 (MoO3)3SeO3. Crystal data: (NH4)2(WO3)3SeO3, Mr = 858.58, hexagonal, space group P63 (No. 173), a = 7.2291(2) Å, c = 12.1486(3) Å, V = 549.82(3) Å3, Z = 2, Rp = 1.81%, and Rwp = 2.29% (2938 neutron powder data). Cs2(WO3)3SeO3, Mr = 1088.31, hexagonal, space group P63 (no. 173), a = 7.2615(2) Å, c = 12.5426(3) Å, V = 572.75(3) Å3, Z = 2, Rp = 4.84%, and Rwp = 5.98% (2588 neutron powder data).

Metastable phases of silver and gold in hexagonal structure

NASA Astrophysics Data System (ADS)

Jona, F.; Marcus, P. M.

2004-07-01

Metastable phases of silver and gold in hexagonal close-packed structures are investigated by means of first-principles total-energy calculations. Two different methods are employed to find the equilibrium states: determination of the minima along the hexagonal epitaxial Bain path, and direct determination of minima of the total energy by a new minimum-path procedure. Both metals have two equilibrium states at different values of the hexagonal axial ratio c/a. For both metals, the elastic constants show that the high-c/a states are stable, hence, since the ground states are face-centred cubic, these states represent hexagonal close-packed metastable phases. The elastic constants of the low-c/a states show that they are unstable.

Phormidium phycoerythrin forms hexamers in crystals: a crystallographic study

PubMed Central

Sonani, Ravi Raghav; Sharma, Mahima; Gupta, Gagan Deep; Kumar, Vinay; Madamwar, Datta

2015-01-01

The crystallographic analysis of a marine cyanobacterium (Phormidium sp. A09DM) phycoerythrin (PE) that shows distinct sequence features compared with known PE structures from cyanobacteria and red algae is reported. Phormidium PE was crystallized using the sitting-drop vapour-diffusion method with ammonium sulfate as a precipitant. Diffraction data were collected on the protein crystallography beamline at the Indus-2 synchrotron. The crystals diffracted to about 2.1 Å resolution at 100 K. The crystals, with an apparent hexagonal morphology, belonged to space group P1, with unit-cell parameters a = 108.3, b = 108.4 Å, c = 116.6 Å, α = 78.94, β = 82.50, γ = 60.34°. The molecular-replacement solution confirmed the presence of 12 αβ monomers in the P1 cell. The Phormidium PE elutes as an (αβ)3 trimer of αβ monomers from a molecular-sieve column and exists as [(αβ)3]2 hexamers in the crystal lattice. Unlike red algal PE proteins, the hexamers of Phormidium PE do not form higher-order structures in the crystals. The existence of only one characteristic visual absorption band at 564 nm suggests the presence of phycoerythrobilin chromophores, and the absence of any other types of bilins, in the Phormidium PE assembly. PMID:26249689

Synthesis, DFT calculations of structure, vibrational and thermal decomposition studies of the metal complex Pb[Mn(C3H2O4)2(H2O)2].

PubMed

Gil, Diego M; Carbonio, Raúl E; Gómez, María Inés

2015-04-15

The metallo-organic complex Pb[Mn(C3H2O4)2(H2O)2] was synthesized and characterized by IR and Raman spectroscopy and powder X-ray diffraction methods. The cell parameters for the complex were determined from powder X-ray diffraction using the autoindexing program TREOR, and refined by the Le Bail method with the Fullprof program. A hexagonal unit cell was determined with a=b=13.8366(7)Å, c=9.1454(1)Å, γ=120°. The DFT calculated geometry of the complex anion [Mn(C3H2O4)2(H2O)2](2-) is very close to the experimental data reported for similar systems. The IR and Raman spectra and the thermal analysis of the complex indicate that only one type of water molecules is present in the structure. The thermal decomposition of Pb[Mn(C3H2O4)2(H2O)2] at 700 °C in air produces PbO and Pb2MnO4 as final products. The crystal structure of the mixed oxide is very similar to that reported for Pb3O4. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis of hexagonal wurtzite Cu{sub 2}ZnSnS{sub 4} prisms by an ultrasound-assisted microwave solvothermal method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Fei, E-mail: long.drf@gmail.com; Chi, Shangsen; Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083

Wurtzite Cu{sub 2}ZnSnS{sub 4} (CZTS) hexagonal prisms were synthesized by a simple ultrasound-microwave solvothermal method. The product was characterized by XRD, FESEM, EDS, TEM, Raman and UV–vis spectrometer. The hexagonal prisms were 0.5–2 μm wide and 5–12 μm long. The PVP played an important role in the formation of the CZTS hexagonal prisms. In addition, the ultrasound-assisted microwave process was helpful for synthesis of wurtzite rather than kesterite phase CZTS. A nucleation–dissolution–recrystallization mechanism was also proposed to explain the growth of the CZTS hexagonal prisms. - Graphical abstract: Wurtzite Cu{sub 2}ZnSnS{sub 4} hexagonal prisms were synthesized by ultrasound-microwave solvothermal method.more » The ultrasound-assisted microwave process and PVP were useful to the growth of CZTS. A nucleation–dissolution–recrystallization growth mechanism was also proposed. - Highlights: • Wurtzite Cu{sub 2}ZnSnS{sub 4} was prepared by ultrasound-assisted microwave solvothermal method. • The wurtzite CZTS hexagonal prisms are demonstrated a band gap of 1.49 eV. • Synergistic effect of ultrasound and microwave is helpful to prepare Wurtzite CZTS. • PVP plays an important role in the formation of the CZTS hexagonal prisms. • Nucleation–dissolution–recrystallization growth mechanism of the CZTS was proposed.« less

Nanoindentation hardness and atomic force microscope imaging studies of pressure-quenched zirconium metal

NASA Astrophysics Data System (ADS)

Catledge, Shane A.; Spencer, Philemon T.; Vohra, Yogesh K.

2000-11-01

We have carried out mechanical property measurements on zirconium metal compressed in a diamond anvil cell to 19 GPa at room temperature with subsequent quenching to room pressure. The irreversible transformation from the ambient hexagonal-close-packed phase to the simple hexagonal ω phase (AlB2 structure) is confirmed by synchrotron energy dispersive x-ray diffraction followed by nanoindentation of the pressure-quenched sample. We document an 80% increase in hardness as a consequence of the pressure-induced transformation to the ω phase at room temperature. This is a large increase for a metallic phase transformation and can be attributed to the presence of sp2-hybrid bonds forming graphite-like nets in the (0001) plane of the AlB2 structure. Atomic force microscopy of the indents shows that a plastic deformation of 2 μm in depth was achieved with a force of 200 mN.

Structural characterization of a new high-pressure phase of GaAsO4.

PubMed

Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel

2006-12-01

As in SiO2 which, at high pressures, undergoes the alpha-quartz-->stishovite transition, GaAsO4 transforms into a dirutile structure at 9 GPa and 1173 K. In 2002, a new GaAsO4 polymorph was found by quenching the compound from 6 GPa and 1273 K to ambient conditions. The powder diagram was indexed on the basis of a hexagonal cell (a=8.2033, c=4.3941 A, V=256.08 A3), but the structure did not correspond to any known structure of other AXO4 compounds. We report here the ab initio crystal structure determination of this hexagonal polymorph from powder data. The new phase is isostructural to beta-MnSb2O6 and it can be described as a lacunary derivative of NiAs with half the octahedral sites being vacant, but it also contains fragments of the rutile-like structure.

Crystal growth and upconversion luminescent properties of KLu2F7:Yb,Er nanocrystals

NASA Astrophysics Data System (ADS)

Xu, Dekang; Yao, Lu; Lin, Hao; Yang, Shenghong; Zhang, Yueli

2018-05-01

Crystal growth of KLu2F7 nanocrystals is investigated by dosage- and time-dependent analysis. XRD patterns reveal the phase transition along with the dosage of fluorine source and reaction times, where the cubic-phase KLu3F10 turns into orthorhombic KLu2F7. TEM images show that the dimensions of as-prepared samples are below a hundred nanometers, with different shapes from hexagonal plate to hexagonal rod. The upconversion properties of the as-prepared samples are investigated. It is found that the upconversion emission is lowered as the shape of the samples varies. Moreover, the orthorhombic KLu2F7:Yb,Er nanocrystals present more enormous upconversion luminescence than the cubic counterparts. In a word, the orthorhombic nanocrystals are found to be good candidate for upconversion luminescence and of great importance for potential applications in solar cells, multicolor display and bioimaging.

HGCAL: A High-Granularity Calorimeter for the Endcaps of CMS at HL-LHC

NASA Astrophysics Data System (ADS)

Ochando, Christophe; CMS Collaboration

2017-11-01

Calorimetry at the High Luminosity LHC (HL-LHC) faces two enormous challenges, particularly in the forward direction: radiation tolerance and unprecedented in-time event pileup. To meet these challenges, the CMS experiment has decided to construct a High Granularity Calorimeter (HGCAL), featuring a previously unrealized transverse and longitudinal segmentation, for both electromagnetic and hadronic compartments. This will facilitate particle-flow-type calorimetry, where the fine structure of showers can be measured and used to enhance particle identification, energy resolution and pileup rejection. The majority of the HGCAL will be based on robust and cost-effective hexagonal silicon sensors with about 1cm2 or 0.5cm2 hexagonal cell size, with the final 5 interaction lengths of the hadronic compartment being based on highly segmented plastic scintillator with on-scintillator SiPM readout. We present an overview of the HGCAL project, including the motivation, engineering design, readout concept and simulated performance.

Synthesis of ZnO Hexagonal Micro Discs on Glass Substrates Using the Spray Pyrolysis Technique

NASA Astrophysics Data System (ADS)

Ikhmayies, Shadia J.; Zbib, Mohamad B.

2017-07-01

Zinc oxide (ZnO) is an important transparent conducting oxide of potential use in solar cells, electronics, photoelectronics, and sensors. In this work ZnO micro discs were synthesized in thin film form on glass substrates using the low cost spray pyrolysis method. The films were prepared from a precursor solution of ZnCl2 in distilled water at a substrate temperature of 300 ± 5°C. The as-synthesized samples were analyzed with x-ray diffraction, scanning electron microscopy, and x-ray energy dispersive spectroscopy (EDS). The morphology of the films showed randomly distributed micro discs of hexagonal shape. The EDS reports showed that the films contained Cl and Fe. Size analysis was performed using ImageJ software, where the average diameter was found to be 4.8 ± 0.9 μm, and the average thickness was found to be 254 ± 43 nm.

HGCAL: a High-Granularity Calorimeter for the endcaps of CMS at HL-LHC

NASA Astrophysics Data System (ADS)

Magnan, A.-M.

2017-01-01

Calorimetry at the High Luminosity LHC (HL-LHC) faces two enormous challenges, particularly in the forward direction: radiation tolerance and unprecedented in-time event pileup. To meet these challenges, the CMS experiment has decided to construct a High Granularity Calorimeter (HGCAL), featuring a previously unrealized transverse and longitudinal segmentation, for both electromagnetic and hadronic compartments. This will facilitate particle-flow-type calorimetry, where the fine structure of showers can be measured and used to enhance particle identification, energy resolution and pileup rejection. The majority of the HGCAL will be based on robust and cost-effective hexagonal silicon sensors with simeq 1 cm2 or 0.5 cm2 hexagonal cell size, with the final five interaction lengths of the hadronic compartment being based on highly segmented plastic scintillator with on-scintillator SiPM readout. We present an overview of the HGCAL project, including the motivation, engineering design, readout/trigger concept and simulated performance.

Structural Physics of Bee Honeycomb

NASA Astrophysics Data System (ADS)

Kaatz, Forrest; Bultheel, Adhemar; Egami, Takeshi

2008-03-01

Honeybee combs have aroused interest in the ability of honeybees to form regular hexagonal geometric constructs since ancient times. Here we use a real space technique based on the pair distribution function (PDF) and radial distribution function (RDF), and a reciprocal space method utilizing the Debye-Waller Factor (DWF) to quantify the order for a range of honeycombs made by Apis mellifera. The PDFs and RDFs are fit with a series of Gaussian curves. We characterize the order in the honeycomb using a real space order parameter, OP3, to describe the order in the combs and a two-dimensional Fourier transform from which a Debye-Waller order parameter, u, is derived. Both OP3 and u take values from [0, 1] where the value one represents perfect order. The analyzed combs have values of OP3 from 0.33 to 0.60 and values of u from 0.83 to 0.98. RDF fits of honeycomb histograms show that naturally made comb can be crystalline in a 2D ordered structural sense, yet is more `liquid-like' than cells made on `foundation' wax. We show that with the assistance of man-made foundation wax, honeybees can manufacture highly ordered arrays of hexagonal cells.

Phase Behavior and Conductivity of Phosphonated Block Copolymers Containing Ionic Liquids

NASA Astrophysics Data System (ADS)

Jung, Ha Young; Kim, Sung Yeon; Park, Moon Jeong

2015-03-01

As the focus on proton exchange fuel cells continues to escalate in the era of alternative energy systems, the rational design of sulfonated polymers has emerged as a key technique for enhancing device efficiency. While the sulfonic acid group guarantees high proton conductivity of membranes under humidified conditions, the growing need for high temperature operation has discouraged their practical uses in fuel cells. In this respect, phosphonated polymers have drawn intensive attention in recent years owing to their self-dissociation ability. In this study, we have synthesized a set of phosphonated block copolymers, poly(styrenephosphonate-methylbutylene) (PSP- b - PMB), by varying phosphonation level (PL). A wide variety of self-assembled morphologies, i.e., disordered, lamellar, hexagonally perforated lamellae and hexagonally packed cylindrical phases, were observed with PL. Remarkably, upon comparing the morphology of PSP- b-PMB and that of sulfonated analog, we found distinctly dissimilar domain sizes at the same molecular weight and composition. A range of ionic liquids (ILs) were incorporated into the PSP- b-PMB block copolymers and their ion transport properties were examined. It has been revealed that the degree of confinement of ionic phases (domain size) impacts the ion mobility and proton dissociation efficiency of IL-containing polymers.

Tau mediates microtubule bundle architectures mimicking fascicles of microtubules found in the axon initial segment

DOE PAGES

Chung, Peter J.; Song, Chaeyeon; Deek, Joanna; ...

2016-07-25

Tau, an intrinsically disordered protein confined to neuronal axons, binds to and regulates microtubule dynamics. Although there have been observations of string-like microtubule fascicles in the axon initial segment (AIS) and hexagonal bundles in neurite-like processes in non-neuronal cells overexpressing Tau, cell-free reconstitutions have not replicated either geometry. Here we map out the energy landscape of Tau-mediated, GTP-dependent ‘active’ microtubule bundles at 37°C, as revealed by synchrotron SAXS and TEM. Widely spaced bundles (wall-to-wall distance D w–w≈25–41nm) with hexagonal and string-like symmetry are observed, the latter mimicking bundles found in the AIS. A second energy minimum (D w–w≈16–23nm) is revealedmore » under osmotic pressure. The wide spacing results from a balance between repulsive forces, due to Tau’s projection domain (PD), and a stabilizing sum of transient sub-k BT cationic/anionic charge–charge attractions mediated by weakly penetrating opposing PDs. In the end, we find that this landscape would be significantly affected by charge-altering modifications of Tau associated with neurodegeneration.« less

Research on the comparison of extension mechanism of cellular automaton based on hexagon grid and rectangular grid

NASA Astrophysics Data System (ADS)

Zhai, Xiaofang; Zhu, Xinyan; Xiao, Zhifeng; Weng, Jie

2009-10-01

Historically, cellular automata (CA) is a discrete dynamical mathematical structure defined on spatial grid. Research on cellular automata system (CAS) has focused on rule sets and initial condition and has not discussed its adjacency. Thus, the main focus of our study is the effect of adjacency on CA behavior. This paper is to compare rectangular grids with hexagonal grids on their characteristics, strengths and weaknesses. They have great influence on modeling effects and other applications including the role of nearest neighborhood in experimental design. Our researches present that rectangular and hexagonal grids have different characteristics. They are adapted to distinct aspects, and the regular rectangular or square grid is used more often than the hexagonal grid. But their relative merits have not been widely discussed. The rectangular grid is generally preferred because of its symmetry, especially in orthogonal co-ordinate system and the frequent use of raster from Geographic Information System (GIS). However, in terms of complex terrain, uncertain and multidirectional region, we have preferred hexagonal grids and methods to facilitate and simplify the problem. Hexagonal grids can overcome directional warp and have some unique characteristics. For example, hexagonal grids have a simpler and more symmetric nearest neighborhood, which avoids the ambiguities of the rectangular grids. Movement paths or connectivity, the most compact arrangement of pixels, make hexagonal appear great dominance in the process of modeling and analysis. The selection of an appropriate grid should be based on the requirements and objectives of the application. We use rectangular and hexagonal grids respectively for developing city model. At the same time we make use of remote sensing images and acquire 2002 and 2005 land state of Wuhan. On the base of city land state in 2002, we make use of CA to simulate reasonable form of city in 2005. Hereby, these results provide a proof of concept for hexagonal which has great dominance.

Novel high pressure hexagonal OsB2 by mechanochemistry

NASA Astrophysics Data System (ADS)

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

2014-07-01

Hexagonal OsB2, 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 OsB2 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 OsB2 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 OsB2 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 OsB2 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 OsB2 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.

Forming and Bending of Metal Foams

NASA Astrophysics Data System (ADS)

Nebosky, Paul; Tyszka, Daniel; Niebur, Glen; Schmid, Steven

2004-06-01

This study examines the formability of a porous tantalum foam, known as trabecular metal (TM). Used as a bone ingrowth surface on orthopedic implants, TM is desirable due to its combination of high strength, low relative density, and excellent osteoconductive properties. This research aims to develop bend and stretch forming as a cost-effective alternative to net machining and EDM for manufacturing thin parts made of TM. Experimentally, bending about a single axis using a wiping die was studied by observing cracking and measuring springback. It was found that die radius and clearance strongly affect the springback properties of TM, while punch speed, embossings, die radius and clearance all influence cracking. Depending on the various combinations of die radius and clearance, springback factor ranged from .70-.91. To examine the affect of the foam microstructure, bending also was examined numerically using a horizontal hexagonal mesh. As the hexagonal cells were elongated along the sheet length, elastic springback decreased. This can be explained by the earlier onset of plastic hinging occurring at the vertices of the cells. While the numerical results matched the experimental results for the case of zero clearance, differences at higher clearances arose due to an imprecise characterization of the post-yield properties of tantalum. By changing the material properties of the struts, the models can be modified for use with other open-cell metallic foams.

A novel quantitative methodology for age evaluation of the human corneal endothelium

NASA Astrophysics Data System (ADS)

Rannou, Klervi; Thuret, Gilles; Gain, Philippe; Pinoli, Jean-Charles; Gavet, Yann

2017-03-01

The human corneal endothelium regulates the cornea transparency. Its cells, that cannot regenerate after birth, form a tesselated mosaic with almost perfect hexagonal cells during childhood, becoming progressively bigger and less ordered during aging. This study included 50 patients (in 10 decades groups) and 10 specular microscopy observations per patient. Five different criteria were measured on the manually segmented cells: area and perimeter of the cells as well as reduced Minkowski functionals. All these criteria were used to assess the probability of age group membership. We demonstrated that the age evaluation is near the reality, although a high variability was observed for patients between 30 and 70 years old.

The wave numbers of supercritical surface tension driven Benard convection

NASA Technical Reports Server (NTRS)

Koschmieder, E. L.; Switzer, D. W.

1991-01-01

The cell size or the wave numbers of supercritical hexagonal convection cells in primarily surface tension driven convection on a uniformly heated plate was studied experimentally in thermal equilibrium in thin layers of silicone oil of large aspect ratio. It was found that the cell size decreases with increased temperature difference in the slightly supercritical range, and that the cell size is unique within the experimental error. It was also observed that the cell size reaches a minimum and begins to increase at larger temperature differences. This reversal of the rate of change of the wave number with temperature difference is attributed to influences of buoyancy on the fluid motion. The consequences of buoyancy were tested with three fluid layers of different depth.

The wavenumbers of supercritical surface-tension-driven Benard convection

NASA Technical Reports Server (NTRS)

Koschmieder, E. L.; Switzer, D. W.

1992-01-01

The cell size or the wavenumbers of supercritical hexagonal convection cells in primarily surface-tension-driven convection on a uniformly heated plate has been studied experimentally in thermal equilibrium in thin layers of silicone oil of large aspect ratio. It has been found that the cell size decreases with increased temperature difference in the slightly supercritical range, and that the cell size is unique within the experimental error. It has also been observed that the cell size reaches a minimum and begins to increase at larger temperature differences. This reversal of the rate of change of the wavenumber with temperature difference is attributed to influences of buoyancy on the fluid motion. The consequences of buoyancy have been tested with three fluid layers of different depth.

Zinc-oxide-based nanostructured materials for heterostructure solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bobkov, A. A.; Maximov, A. I.; Moshnikov, V. A., E-mail: vamoshnikov@mail.ru

Results obtained in the deposition of nanostructured zinc-oxide layers by hydrothermal synthesis as the basic method are presented. The possibility of controlling the structure and morphology of the layers is demonstrated. The important role of the procedure employed to form the nucleating layer is noted. The faceted hexagonal nanoprisms obtained are promising for the fabrication of solar cells based on oxide heterostructures, and aluminum-doped zinc-oxide layers with petal morphology, for the deposition of an antireflection layer. The results are compatible and promising for application in flexible electronics.

Pyramidal dislocation induced strain relaxation in hexagonal structured InGaN/AlGaN/GaN multilayer

NASA Astrophysics Data System (ADS)

Yan, P. F.; Du, K.; Sui, M. L.

2012-10-01

Due to the special dislocation slip systems in hexagonal lattice, dislocation dominated deformations in hexagonal structured multilayers are significantly different from that in cubic structured systems. In this work, we have studied the strain relaxation mechanism in hexagonal structured InGaN/AlGaN/GaN multilayers with transmission electron microscopy. Due to lattice mismatch, the strain relaxation was found initiated with the formation of pyramidal dislocations. Such dislocations locally lie at only one preferential slip direction in the hexagonal lattice. This preferential slip causes a shear stress along the basal planes and consequently leads to dissociation of pyramidal dislocations and operation of the basal plane slip system. The compressive InGaN layers and "weak" AlGaN/InGaN interfaces stimulate the dissociation of pyramidal dislocations at the interfaces. These results enhance the understanding of interactions between dislocations and layer interfaces and shed new lights on deformation mechanism in hexagonal-lattice multilayers.

United States Air Force Graduate Student Summer Support Program (1987). Program Technical Report. Volume 1.

DTIC Science & Technology

1987-12-01

developed for a large percentage of the participants in the Summer Faculty Research Program in 1979-1983 period through an AFOSR Minigrant Program . On 1...Analysis of a Bimodal Nuclear Rocket Core by Dav,, C. Carpenter ABSTRACT The framework for a general purpose finite element analysis code was developed ...to study the 2-D temperature distribution in a hot-channel S hexagonal fuel element in the core of a bimodal nuclear’ rocket. Prelim- inary thermal

Strong magnetic coupling in the hexagonal R5Pb3 compounds (R=Gd-Tm)

NASA Astrophysics Data System (ADS)

Marcinkova, Andrea; de la Cruz, Clarina; Yip, Joshua; Zhao, Liang L.; Wang, Jiakui K.; Svanidze, E.; Morosan, E.

2015-06-01

We have synthesized the R5Pb3 (R=Gd-Tm) compounds in polycrystalline form and performed neutron scattering and magnetization measurements. For all R5Pb3 reported here the Weiss temperatures θW are several times smaller than the ordering temperatures TORD, while the latter are remarkably high (TORD up to 275 K for R=Gd) compared to other known R-M binaries (M=Si, Ge, Sn and Sb). The magnetic order changes from ferromagnetic (FM) in R=Gd, Tb to antiferromagnetic (AFM) in R=Dy-Tm. Below TORD, the magnetization measurements together with neutron powder diffraction show complex magnetic behaviors and reveal the existence of up to three additional phase transitions, believed to be a result of large anisotropic exchange and/or crystal electric field effects, induced high anisotropy. The R5Pb3 magnetic unit cells for R=Tb-Tm can be described with incommensurate magnetic wave vectors with spin modulation either along the c axis in R=Tb, Er and Tm, or within the ab plane in R=Dy and Ho.

Three-dimensional finite amplitude electroconvection in dielectric liquids

NASA Astrophysics Data System (ADS)

Luo, Kang; Wu, Jian; Yi, Hong-Liang; Tan, He-Ping

2018-02-01

Charge injection induced electroconvection in a dielectric liquid lying between two parallel plates is numerically simulated in three dimensions (3D) using a unified lattice Boltzmann method (LBM). Cellular flow patterns and their subcritical bifurcation phenomena of 3D electroconvection are numerically investigated for the first time. A unit conversion is also derived to connect the LBM system to the real physical system. The 3D LBM codes are validated by three carefully chosen cases and all results are found to be highly consistent with the analytical solutions or other numerical studies. For strong injection, the steady state roll, polygon, and square flow patterns are observed under different initial disturbances. Numerical results show that the hexagonal cell with the central region being empty of charge and centrally downward flow is preferred in symmetric systems under random initial disturbance. For weak injection, the numerical results show that the flow directly passes from the motionless state to turbulence once the system loses its linear stability. In addition, the numerically predicted linear and finite amplitude stability criteria of different flow patterns are discussed.

Long exciton lifetimes in stacking-fault-free wurtzite GaAs nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Furthmeier, Stephan, E-mail: stephan.furthmeier@ur.de; Dirnberger, Florian; Hubmann, Joachim

We present a combined photoluminescence and transmission electron microscopy study of single GaAs nanowires. Each wire was characterized both in microscopy and spectroscopy, allowing a direct correlation of the optical and the structural properties. By tuning the growth parameters, the nanowire crystal structure is optimized from a highly mixed zincblende–wurtzite structure to pure wurtzite. We find the latter one to be stacking-fault-free over nanowire lengths up to 4.1 μm. We observe the emission of purely wurtzite nanowires to occur only with polarization directions perpendicular to the wurtzite c{sup ^}-axis, as expected from the hexagonal unit cell symmetry. The free exciton recombinationmore » energy in the wurtzite structure is 1.518 eV at 5 K with a narrow linewidth of 4 meV. Most notably, these pure wurtzite nanowires display long carrier recombination lifetimes of up to 11.2 ns, exceeding reported lifetimes in bulk GaAs and state-of-the-art 2D GaAs/AlGaAs heterostructures.« less

Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on au(111).

PubMed

Yan, Jiawei; Ouyang, Runhai; Jensen, Palle S; Ascic, Erhad; Tanner, David; Mao, Bingwei; Zhang, Jingdong; Tang, Chunguang; Hush, Noel S; Ulstrup, Jens; Reimers, Jeffrey R

2014-12-10

The rich stereochemistry of the self-assembled monolayers (SAMs) of four butanethiols on Au(111) is described, the SAMs containing up to 12 individual C, S, or Au chiral centers per surface unit cell. This is facilitated by synthesis of enantiomerically pure 2-butanethiol (the smallest unsubstituted chiral alkanethiol), followed by in situ scanning tunneling microscopy (STM) imaging combined with density functional theory molecular dynamics STM image simulations. Even though butanethiol SAMs manifest strong headgroup interactions, steric interactions are shown to dominate SAM structure and chirality. Indeed, steric interactions are shown to dictate the nature of the headgroup itself, whether it takes on the adatom-bound motif RS(•)Au(0)S(•)R or involves direct binding of RS(•) to face-centered-cubic or hexagonal-close-packed sites. Binding as RS(•) produces large, organizationally chiral domains even when R is achiral, while adatom binding leads to rectangular plane groups that suppress long-range expression of chirality. Binding as RS(•) also inhibits the pitting intrinsically associated with adatom binding, desirably producing more regularly structured SAMs.

Multilayer graphane synthesized under high hydrogen pressure

DOE PAGES

Antonov, V. E.; Bashkin, I. O.; Bazhenov, A. V.; ...

2015-12-19

A new hydrocarbon – hydrographite – with the composition close to CH is shown to form from graphite and gaseous hydrogen at pressures above 2 GPa and temperatures from 450 to 700 °C. Hydrographite is a black solid thermally stable under ambient conditions. When heated in vacuum, it decomposes into graphite and molecular hydrogen at temperatures from 500 to 650 °C. Powder X-ray diffraction characterizes hydrographite as a multilayer “graphane II” phase predicted by ab initio calculations [Wen X-D et al. PNAS 2011; 108:6833] and consisting of graphane sheets in the chair conformation stacked along the hexagonal c axis inmore » the -ABAB- sequence. The crystal structure of the synthesized phase belongs to the P63mc space group. Moreover, the unit cell parameters are a = 2.53(1) Å and c = 9.54(1) Å and therefore exceed the corresponding parameters of graphite by 2.4(2)% and 42.0(3)%. Stretching vibrations of C–H groups on the surface of the hydrographite particles are examined by infrared spectroscopy.« less

A Raman spectroscopic comparison of calcite and dolomite.

PubMed

Sun, Junmin; Wu, Zeguang; Cheng, Hongfei; Zhang, Zhanjun; Frost, Ray L

2014-01-03

Raman spectroscopy was used to characterize and differentiate the two minerals calcite and dolomite and the bands related to the mineral structure. The (CO3)(2-) group is characterized by four prominent Raman vibrational modes: (a) the symmetric stretching, (b) the asymmetric deformation, (c) asymmetric stretching and (d) symmetric deformation. These vibrational modes of the calcite and dolomite were observed at 1440, 1088, 715 and 278 cm(-1). The significant differences between the minerals calcite and dolomite are observed by Raman spectroscopy. Calcite shows the typical bands observed at 1361, 1047, 715 and 157 cm(-1), and the special bands at 1393, 1098, 1069, 1019, 299, 258 and 176 cm(-1) for dolomite are observed. The difference is explained on the basis of the structure variation of the two minerals. Calcite has a trigonal structure with two molecules per unit cell, and dolomite has a hexagonal structure. This is more likely to cause the splitting and distorting of the carbonate groups. Another cause for the difference is the cation substituting for Mg in the dolomite mineral. Copyright © 2013 Elsevier B.V. All rights reserved.

X-Ray Synchrotron and Neutron Reflectivity Studies of = Polymer-Modified Lipid Monolayers on Water

NASA Astrophysics Data System (ADS)

Smith, G. S.; Majewski, J.; Kuhl, T.; Israelachvili, J.; Kjaer, K.; Gerstenberg, M. C.; Als-Nielsen, J.

1997-03-01

We studied monolayers (at air-water interface) composed of mixtures of distearoyl phosphatidyl ethanolamine (DSPE) mixed with 1.3, 4.5 and 9% of the same lipid but modified by polyethylene glycol chains (PEG) covalently linked to its head group. The GID data yielded three reflections leading to a hexagonal unit cell a_H=4.7Åarea per lipid molecule = 38.3Åindependent of PEG concentration. The in-plane coherence lengths decreased from 360Åfor the pure lipid to 230Åfor 9.0% DSPE-PEG. The FWHM(q_z) of each of the Bragg rods increased with PEG-lipid concentration suggesting decreasing of the lengths of the coherently diffracting part of the hydrocarbon chains. Reflectivities show that both the density and the extension of the polymer segments increase with DSPE-PEG concentration and can be well modeled with a parabolic density profile. Our data indicates that the bulky hydrophilic polymer disrupts the lipid monolayer. This is attributed to an increase in lipid protrusions and a relaxation of the lateral force between PEG portions by staggering of the lipid headgroups.

Crystallization of beef heart cytochrome c oxidase

NASA Astrophysics Data System (ADS)

Yoshikawa, Shinya; Shinzawa, Kyoko; Tsukihara, Tomitake; Abe, Toshio; Caughey, Winslow S.

1991-03-01

The three-dimensional structure of cytochrome c oxidase, a complex (multimetal, multisubunit) membrane protein is critical to elucidation of the mechanism of the enzymic reactions and their control. Our recent developments in the crystallization of the enzyme isolated from beef hearts are presented. The crystals appeared more readily at higher protein concentration, lower ionic strength, higher detergent concentration (Brij-35) and lower temperature. Large crystals were obtained by changing one of these parameters to the crystallization point as slowly as possible, keeping the other parameters constant. Increasing the detergent concentration was the most successful method, producing green crystals of the resting oxidized form as hexagonal bipyramids with typical dimensions of 0.6 mm. The usual procedures for crystallization of water soluble proteins, such as increasing ionic strength by vapor diffusion, were not applicable for this enzyme. Crystals of the resting oxidized enzyme belong to a space group of P6 2 or P6 4 with cell dimensions, a = b = 208.7 Å and c = 282.3 Å. The Patterson function shows that the crystal exhibited a non-crystallographic two-fold axis parallel to the c-axis in the asymmetric unit.

Two-Dimensional CH₃NH₃PbI₃ Perovskite: Synthesis and Optoelectronic Application.

PubMed

Liu, Jingying; Xue, Yunzhou; Wang, Ziyu; Xu, Zai-Quan; Zheng, Changxi; Weber, Bent; Song, Jingchao; Wang, Yusheng; Lu, Yuerui; Zhang, Yupeng; Bao, Qiaoliang

2016-03-22

Hybrid organic-inorganic perovskite materials have received substantial research attention due to their impressively high performance in photovoltaic devices. As one of the oldest functional materials, it is intriguing to explore the optoelectronic properties in perovskite after reducing it into a few atomic layers in which two-dimensional (2D) confinement may get involved. In this work, we report a combined solution process and vapor-phase conversion method to synthesize 2D hybrid organic-inorganic perovskite (i.e., CH3NH3PbI3) nanocrystals as thin as a single unit cell (∼1.3 nm). High-quality 2D perovskite crystals have triangle and hexagonal shapes, exhibiting tunable photoluminescence while the thickness or composition is changed. Due to the high quantum efficiency and excellent photoelectric properties in 2D perovskites, a high-performance photodetector was demonstrated, in which the current can be enhanced significantly by shining 405 and 532 nm lasers, showing photoresponsivities of 22 and 12 AW(-1) with a voltage bias of 1 V, respectively. The excellent optoelectronic properties make 2D perovskites building blocks to construct 2D heterostructures for wider optoelectronic applications.

A Raman spectroscopic comparison of calcite and dolomite

NASA Astrophysics Data System (ADS)

Sun, Junmin; Wu, Zeguang; Cheng, Hongfei; Zhang, Zhanjun; Frost, Ray L.

2014-01-01

Raman spectroscopy was used to characterize and differentiate the two minerals calcite and dolomite and the bands related to the mineral structure. The (CO3)2- group is characterized by four prominent Raman vibrational modes: (a) the symmetric stretching, (b) the asymmetric deformation, (c) asymmetric stretching and (d) symmetric deformation. These vibrational modes of the calcite and dolomite were observed at 1440, 1088, 715 and 278 cm-1. The significant differences between the minerals calcite and dolomite are observed by Raman spectroscopy. Calcite shows the typical bands observed at 1361, 1047, 715 and 157 cm-1, and the special bands at 1393, 1098, 1069, 1019, 299, 258 and 176 cm-1 for dolomite are observed. The difference is explained on the basis of the structure variation of the two minerals. Calcite has a trigonal structure with two molecules per unit cell, and dolomite has a hexagonal structure. This is more likely to cause the splitting and distorting of the carbonate groups. Another cause for the difference is the cation substituting for Mg in the dolomite mineral.

The source of high signal cooperativity in bacterial chemosensory arrays

PubMed Central

Piñas, Germán E.; Frank, Vered; Vaknin, Ady; Parkinson, John S.

2016-01-01

The Escherichia coli chemosensory system consists of large arrays of transmembrane chemoreceptors associated with a dedicated histidine kinase, CheA, and a linker protein, CheW, that couples CheA activity to receptor control. The kinase activity responses to receptor ligand occupancy changes can be highly cooperative, reflecting allosteric coupling of multiple CheA and receptor molecules. Recent structural and functional studies have led to a working model in which receptor core complexes, the minimal units of signaling, are linked into hexagonal arrays through a unique interface 2 interaction between CheW and the P5 domain of CheA. To test this array model, we constructed and characterized CheA and CheW mutants with amino acid replacements at key interface 2 residues. The mutant proteins proved defective in interface 2-specific in vivo cross-linking assays, and formed signaling complexes that were dispersed around the cell membrane rather than clustered at the cell poles as in wild type chemosensory arrays. Interface 2 mutants down-regulated CheA activity in response to attractant stimuli in vivo, but with much less cooperativity than the wild type. Moreover, mutant cells containing fluorophore-tagged receptors exhibited greater basal anisotropy that changed rapidly in response to attractant stimuli, consistent with facile changes in loosely packed receptors. We conclude that interface 2 lesions disrupt important network connections between core complexes, preventing receptors from operating in large, allosteric teams. This work confirms the critical role of interface 2 in organizing the chemosensory array, in directing the clustered array to the cell poles, and in producing its highly cooperative signaling properties. PMID:26951681

Nanowire Optoelectronics

NASA Astrophysics Data System (ADS)

Wang, Zhihuan; Nabet, Bahram

2015-12-01

Semiconductor nanowires have been used in a variety of passive and active optoelectronic devices including waveguides, photodetectors, solar cells, light-emitting diodes (LEDs), lasers, sensors, and optical antennas. We review the optical properties of these nanowires in terms of absorption, guiding, and radiation of light, which may be termed light management. Analysis of the interaction of light with long cylindrical/hexagonal structures with subwavelength diameters identifies radial resonant modes, such as Leaky Mode Resonances, or Whispering Gallery modes. The two-dimensional treatment should incorporate axial variations in "volumetric modes,"which have so far been presented in terms of Fabry-Perot (FP), and helical resonance modes. We report on finite-difference timedomain (FDTD) simulations with the aim of identifying the dependence of these modes on geometry (length, width), tapering, shape (cylindrical, hexagonal), core-shell versus core-only, and dielectric cores with semiconductor shells. This demonstrates how nanowires (NWs) form excellent optical cavities without the need for top and bottommirrors. However, optically equivalent structures such as hexagonal and cylindrical wires can have very different optoelectronic properties meaning that light management alone does not sufficiently describe the observed enhancement in upward (absorption) and downward transitions (emission) of light inNWs; rather, the electronic transition rates should be considered. We discuss this "rate management" scheme showing its strong dimensional dependence, making a case for photonic integrated circuits (PICs) that can take advantage of the confluence of the desirable optical and electronic properties of these nanostructures.

Defect chaos of oscillating hexagons in rotating convection

PubMed

Echebarria; Riecke

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.

Structure and energetics of carbon, hexagonal boron nitride, and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls

NASA Astrophysics Data System (ADS)

Siahlo, Andrei I.; Poklonski, Nikolai A.; Lebedev, Alexander V.; Lebedeva, Irina V.; Popov, Andrey M.; Vyrko, Sergey A.; Knizhnik, Andrey A.; Lozovik, Yurii E.

2018-03-01

Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered. Structures of stable states of the corresponding nanoscrolls prepared by rolling single-layer and bilayer rectangular nanoribbons are obtained based on the analytical model and numerical calculations. The lengths of nanoribbons for which stable and energetically favorable nanoscrolls are possible are determined. Barriers to rolling of single-layer and bilayer nanoribbons into nanoscrolls and barriers to nanoscroll unrolling are calculated. Based on the calculated barriers nanoscroll lifetimes in the stable state are estimated. Elastic constants for bending of graphene and hexagonal boron nitride layers used in the model are found by density functional theory calculations.

Thermal conductivity of hexagonal Si and hexagonal Si nanowires from first-principles

NASA Astrophysics Data System (ADS)

Raya-Moreno, Martí; Aramberri, Hugo; Seijas-Bellido, Juan Antonio; Cartoixà, Xavier; Rurali, Riccardo

2017-07-01

We calculate the thermal conductivity, κ, of the recently synthesized hexagonal diamond (lonsdaleite) Si using first-principles calculations and solving the Boltzmann Transport Equation. We find values of κ which are around 40% lower than in the common cubic diamond polytype of Si. The trend is similar for [111] Si nanowires, with reductions of the thermal conductivity that are even larger than in the bulk in some diameter range. The Raman active modes are identified, and the role of mid-frequency optical phonons that arise as a consequence of the reduced symmetry of the hexagonal lattice is discussed. We also show briefly that popular classic potentials used in molecular dynamics might not be suited to describe hexagonal polytypes, discussing the case of the Tersoff potential.

Engineering and Localization of Quantum Emitters in Large Hexagonal Boron Nitride Layers.

PubMed

Choi, Sumin; Tran, Toan Trong; Elbadawi, Christopher; Lobo, Charlene; Wang, Xuewen; Juodkazis, Saulius; Seniutinas, Gediminas; Toth, Milos; Aharonovich, Igor

2016-11-02

Hexagonal boron nitride is a wide-band-gap van der Waals material that has recently emerged as a promising platform for quantum photonics experiments. In this work, we study the formation and localization of narrowband quantum emitters in large flakes (up to tens of micrometers wide) of hexagonal boron nitride. The emitters can be activated in as-grown hexagonal boron nitride by electron irradiation or high-temperature annealing, and the emitter formation probability can be increased by ion implantation or focused laser irradiation of the as-grown material. Interestingly, we show that the emitters are always localized at the edges of the flakes, unlike most luminescent point defects in three-dimensional materials. Our results constitute an important step on the roadmap of deploying hexagonal boron nitride in nanophotonics applications.

Global Radius of Curvature Estimation and Control System for Segmented Mirrors

NASA Technical Reports Server (NTRS)

Rakoczy, John M. (Inventor)

2006-01-01

An apparatus controls positions of plural mirror segments in a segmented mirror with an edge sensor system and a controller. Current mirror segment edge sensor measurements and edge sensor reference measurements are compared with calculated edge sensor bias measurements representing a global radius of curvature. Accumulated prior actuator commands output from an edge sensor control unit are combined with an estimator matrix to form the edge sensor bias measurements. An optimal control matrix unit then accumulates the plurality of edge sensor error signals calculated by the summation unit and outputs the corresponding plurality of actuator commands. The plural mirror actuators respond to the actuator commands by moving respective positions of the mixor segments. A predetermined number of boundary conditions, corresponding to a plurality of hexagonal mirror locations, are removed to afford mathematical matrix calculation.

Stress-controlled thermoelectric module for energy harvesting and its application for the significant enhancement of the power factor of Bi2Te3-based thermoelectrics

NASA Astrophysics Data System (ADS)

Korobeinikov, Igor V.; Morozova, Natalia V.; Lukyanova, Lidia N.; Usov, Oleg A.; Kulbachinskii, Vladimir A.; Shchennikov, Vladimir V.; Ovsyannikov, Sergey V.

2018-01-01

We propose a model of a thermoelectric module in which the performance parameters can be controlled by applied tuneable stress. This model includes a miniature high-pressure anvil-type cell and a specially designed thermoelectric module that is compressed between two opposite anvils. High thermally conductive high-pressure anvils that can be made, for instance, of sintered technical diamonds with enhanced thermal conductivity, would enable efficient heat absorption or rejection from a thermoelectric module. Using a high-pressure cell as a prototype of a stress-controlled thermoelectric converter, we investigated the effect of applied high pressure on the power factors of several single-crystalline thermoelectrics, including binary p-type Bi2Te3, and multi-component (Bi,Sb)2Te3 and Bi2(Te,Se,S)3 solid solutions. We found that a moderate applied pressure of a few GPa significantly enhances the power factors of some of these thermoelectrics. Thus, they might be more efficiently utilized in stress-controlled thermoelectric modules. In the example of one of these thermoelectrics crystallizing in the same rhombohedral structure, we examined the crystal lattice stability under moderate high pressures. We uncovered an abnormal compression of the rhombohedral lattice of (Bi0.25,Sb0.75)2Te3 along the c-axis in a hexagonal unit cell, and detected two phase transitions to the C2/m and C2/c monoclinic structures above 9.5 and 18 GPa, respectively.

Expression, crystallization and preliminary X-ray diffraction studies of recombinant Clostridium perfringens β2-toxin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gurjar, Abhijit A.; Yennawar, Neela H.; Yennawar, Hemant P.

2007-06-01

The cloning, expression, purification and crystallization of recombinant Clostridium perfringens β2-toxin is described. The crystals diffracted to 2.9 Å resolution. Clostridium perfringens is a Gram-positive sporulating anaerobic bacterium that is responsible for a wide spectrum of diseases in animals, birds and humans. The virulence of C. perfringens is associated with the production of several enterotoxins and exotoxins. β2-toxin is a 28 kDa exotoxin produced by C. perfringens. It is implicated in necrotic enteritis in animals and humans, a disease characterized by a sudden acute onset with lethal hemorrhagic mucosal ulceration. The recombinant expression, purification and crystallization of β2-toxin using themore » batch-under-oil technique are reported here. Native X-ray diffraction data were obtained to 2.9 Å resolution on a synchrotron beamline at the F2 station at Cornell High Energy Synchrotron Source (CHESS) using an ADSC Quantum-210 CCD detector. The crystals belong to space group R3, with a dimer in the asymmetric unit; the unit-cell parameters are a = b = 103.71, c = 193.48 Å, α = β = 90, γ = 120° using the hexagonal axis setting. A self-rotation function shows that the two molecules are related by a noncrystallographic twofold axis with polar angles ω = 90.0, ϕ = 210.3°.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu Yingya; Grzywa, Maciej; Weil, Matthias

A novel metal-organic framework (MOF) based on a tetranuclear copper cluster and a linear organic ligand formulated as [Cu{sub 4}OCl{sub 6}(DABCO){sub 2}].0.5DABCO.4CH{sub 3}OH (denoted as MFU-5, MFU=Metal-Organic Framework, Ulm University; DABCO=1,4-diazabicyclo[2.2.2]octane), was prepared via solvothermal synthesis. In contrast with common MOF synthesis strategies, MFU-5 is assembled from pre-defined molecular secondary building units, i.e. {l_brace}Cu{sub 4}OCl{sub 6}{r_brace} moieties, which become the nodes of the coordination framework. The title compound was characterized by single crystal X-ray diffraction, variable temperature powder diffraction (VT-XRPD), thermal analysis, as well as IR- and UV/Vis spectroscopy. Crystal data for MFU-5: hexagonal, P6/mcc (no. 192), a=25.645(9), c=17.105(11) A,more » V=9742(8) A{sup 3}, Z=12, 1690 structure factors, R[F{sup 2}>2sigma(F{sup 2})]=0.049. MFU-5 is a 3D metal-organic framework with 1D channels running along the c-axis hosting DABCO and methanol solvent molecules. The framework displays a zeolite-like structure constructed from mso cages, which represents the composite building units in the zeolites SSF, MSO and SZR. Two-fold interpenetration is observed between these building units. TG/DTA-MS and VT-XRPD characterization reveal a stepwise release of methanol and DABCO molecules upon heating, eventually resulting in a structural change into a non-porous material. - Graphical abstract: The metal-organic framework [Cu{sub 4}OCl{sub 6}(DABCO){sub 2}].0.5DABCO.4CH{sub 3}OH (MFU-5) is constructed from a molecular precursor containing {l_brace}Cu{sub 4}OCl{sub 6}{r_brace} secondary building units which become cross-linked into a 3D zeolite-type network with hexagonal symmetry by linear DABCO ligands (DABCO=1,4-diazabicyclo[2.2.2]octane).« less

Sodium-Doped Mesoporous Ni2P2O7 Hexagonal Tablets for High-Performance Flexible All-Solid-State Hybrid Supercapacitors.

PubMed

Wei, Chengzhen; Cheng, Cheng; Wang, Shanshan; Xu, Yazhou; Wang, Jindi; Pang, Huan

2015-08-01

A simple hydrothermal method has been developed to prepare hexagonal tablet precursors, which are then transformed into porous sodium-doped Ni2P2O7 hexagonal tablets by a simple calcination method. The obtained samples were evaluated as electrode materials for supercapacitors. Electrochemical measurements show that the electrode based on the porous sodium-doped Ni2P2O7 hexagonal tablets exhibits a specific capacitance of 557.7 F g(-1) at a current density of 1.2 A g(-1) . Furthermore, the porous sodium-doped Ni2P2O7 hexagonal tablets were successfully used to construct flexible solid-state hybrid supercapacitors. The device is highly flexible and achieves a maximum energy density of 23.4 Wh kg(-1) and a good cycling stability after 5000 cycles, which confirms that the porous sodium-doped Ni2P2 O7 hexagonal tablets are promising active materials for flexible supercapacitors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-temperature molecular dynamics simulation of aragonite.

PubMed

Miyake, Akira; Kawano, Jun

2010-06-09

For molecular dynamics simulations using aragonite structure as the initial state, a new phase of space group P6₃22 (hexagonal aragonite) appeared at temperatures above 510 K at a pressure of 1 atm. It was a first-order phase transition which occurs metastably within the stable region of calcite and the dT/dP slope of the phase boundary between orthorhombic and hexagonal aragonite was about 1.25 × 10³ K GPa⁻¹. In the hexagonal aragonite structure, CO₃ groups were rotated by 30° around the c axis and move up and down along the c axis from their position in aragonite, and Ca ions were six-coordinated as they are in calcite. The CaO₆ octahedron of hexagonal aragonite was strongly distorted, whereas in the calcite structure it is an almost ideal octahedron. The transition between hexagonal and orthorhombic aragonite involves only small movements of CO₃ groups. Therefore, it is possible that hexagonal aragonite plays an important part in the metastable formation of aragonite within the stability field of calcite and in the development of sector trilling in aragonite.

Large Reduction of Hot Spot Temperature in Graphene Electronic Devices with Heat-Spreading Hexagonal Boron Nitride.

PubMed

Choi, David; Poudel, Nirakar; Park, Saungeun; Akinwande, Deji; Cronin, Stephen B; Watanabe, Kenji; Taniguchi, Takashi; Yao, Zhen; Shi, Li

2018-04-04

Scanning thermal microscopy measurements reveal a significant thermal benefit of including a high thermal conductivity hexagonal boron nitride (h-BN) heat-spreading layer between graphene and either a SiO 2 /Si substrate or a 100 μm thick Corning flexible Willow glass (WG) substrate. At the same power density, an 80 nm thick h-BN layer on the silicon substrate can yield a factor of 2.2 reduction of the hot spot temperature, whereas a 35 nm thick h-BN layer on the WG substrate is sufficient to obtain a factor of 4.1 reduction. The larger effect of the h-BN heat spreader on WG than on SiO 2 /Si is attributed to a smaller effective heat transfer coefficient per unit area for three-dimensional heat conduction into the thick, low-thermal conductivity WG substrate than for one-dimensional heat conduction through the thin oxide layer on silicon. Consequently, the h-BN lateral heat-spreading length is much larger on WG than on SiO 2 /Si, resulting in a larger degree of temperature reduction.

History of the formerly top secret KH-9 Hexagon spy satellite

NASA Astrophysics Data System (ADS)

Pressel, Phil

2014-12-01

This paper is about the development, design, fabrication and use of the KH-9 Hexagon spy in the sky satellite camera system that was finally declassified by the National Reconnaissance Office on September 17, 2011 twenty five years after the program ended. It was the last film based reconnaissance camera and was known by experts in the field as "the most complicated system ever put up in orbit." It provided important intelligence for the United States government and was the reason that President Nixon was able to sign the SALT treaty, and when President Reagan said "Trust but Verify" it provided the means of verification. Each satellite weighed 30,000 pounds and carried two cameras thereby permitting photographs of the entire landmass of the earth to be taken in stereo. Each camera carried up to 30 miles of film for a total of 60 miles of film. Ultra-complex mechanisms controlled the structurally "wimpy" film that traveled at speeds up to 204 inches per second at the focal plane and was perfectly synchronized to the optical image.

Perfect merohedral twinning combined with noncrystallographic symmetry potentially causes the failure of molecular replacement with low-homology search models for the flavin-dependent halogenase HalX from Xanthomonas campestris.

PubMed

Buss, Maren; Geerds, Christina; Patschkowski, Thomas; Niehaus, Karsten; Niemann, Hartmut H

2018-06-01

Flavin-dependent halogenases can be used as biocatalysts because they regioselectively halogenate their substrates under mild reaction conditions. New halogenases with novel substrate specificities will add to the toolbox of enzymes available to organic chemists. HalX, the product of the xcc-b100_4193 gene, is a putative flavin-dependent halogenase from Xanthomonas campestris. The enzyme was recombinantly expressed and crystallized in order to aid in identifying its hitherto unknown substrate. Native data collected to a resolution of 2.5 Å showed indications of merohedral twinning in a hexagonal lattice. Attempts to solve the phase problem by molecular replacement failed. Here, a detailed analysis of the suspected twinning is presented. It is most likely that the crystals are trigonal (point group 3) and exhibit perfect hemihedral twinning so that they appear to be hexagonal (point group 6). As there are several molecules in the asymmetric unit, noncrystallographic symmetry may complicate twinning analysis and structure determination.

Machined and plastic copings in three-element prostheses with different types of implantabutment joints: a strain gauge comparative analysis

PubMed Central

NISHIOKA, Renato Sussumu; NISHIOKA, Lea Nogueira Braulino de Melo; ABREU, Celina Wanderley; de VASCONCELLOS, Luis Gustavo Oliveira; BALDUCCI, Ivan

2010-01-01

Objective Using strain gauge (SG) analysis, the aim of this in vitro study was quantify the strain development during the fixation of three-unit screw implant-supported fixed partial dentures, varying the types of implant-abutment joints and the type of prosthetic coping. The hypotheses were that the type of hexagonal connection would generate different microstrains and the type of copings would produce similar microstrains after prosthetic screws had been tightened onto microunit abutments. Materials and methods Three dental implants with external (EH) and internal (IH) hexagonal configurations were inserted into two polyurethane blocks. Microunit abutments were screwed onto their respective implant groups, applying a torque of 20 Ncm. Machined Co-Cr copings (M) and plastic prosthetic copings (P) were screwed onto the abutments, which received standard wax patterns. The wax patterns were cast in Co-Cr alloy (n=5), forming four groups: G1) EH/M; G2) EH/P; G3) IH/M and G4) IH/P. Four SGs were bonded onto the surface of the block tangentially to the implants, SG 1 mesially to implant 1, SG 2 and SG 3 mesially and distally to implant 2, respectively, and SG 4 distally to implant 3. The superstructure’s occlusal screws were tightened onto microunit abutments with 10 Ncm torque using a manual torque driver. The magnitude of microstrain on each SG was recorded in units of microstrain (µε). The data were analyzed statistically by ANOVA and Tukey’s test (p<0.05). Results Microstrain values of each group were: G1= 338.1±223.0 µε; G2= 363.9±190.9 µε; G3= 415.1±53.5 µε; G4= 363.9±190.9 µε. No statistically significant difference was found between EH and IH, regardless of the type of copings (p>0.05). The hypotheses were partially accepted. Conclusions It was concluded that the type of hexagonal connection and coping presented similar mechanical behavior under tightening conditions. PMID:20856998

Influence of the height of the external hexagon and surface treatment on fatigue life of commercially pure titanium dental implants.

PubMed

Gil, Francisco Javier; Aparicio, Conrado; Manero, Jose M; Padros, Alejandro

2009-01-01

This study evaluated the effect of external hexagon height and commonly applied surface treatments on the fatigue life of titanium dental implants. Electropolished commercially pure titanium dental implants (seven implants per group) with three different external hexagon heights (0.6, 1.2, and 1.8 mm) and implants with the highest external hexagon height (1.8 mm) and different surface treatments (electropolishing, grit blasting with aluminium oxide, and acid etching with sulfuric acid) were tested to evaluate their mechanical fatigue life. To do so, 10-Hz triangular flexural load cycles were applied at 37 degrees C in artificial saliva, and the number of load cycles until implant fracture was determined. Tolerances of the hexagon/abutment fit and implant surface roughness were analyzed by scanning electron microscopy and light interferometry. Transmission electron microscopy and electron diffraction analyses of titanium hydrides were performed. First, the fatigue life of implants with the highest hexagon (8,683 +/- 978 load cycles) was more than double that of the implants with the shortest hexagons (3,654 +/- 789 load cycles) (P < .02). Second, the grit-blasted implants had the longest fatigue life of the tested materials (21,393 +/- 2,356 load cycles), which was significantly greater than that of the other surfaces (P < .001). The compressive surface residual stresses induced when blasting titanium are responsible for this superior mechanical response. Third, precipitation of titanium hydrides in grain boundaries of titanium caused by hydrogen adsorption from the acid solution deteriorates the fatigue life of acid-etched titanium dental implants. These implants had the shortest fatigue life (P < .05). The fatigue life of threaded root-form dental implants varies with the height of the external hexagon and/or the surface treatment of the implant. An external hexagon height of 1.8 mm and/or a blasting treatment appear to significantly increase fatigue life of dental implants.

The influence of abutment screw tightening on screw joint configuration.

PubMed

Lang, Lisa A; Wang, Rui-Feng; May, Kenneth B

2002-01-01

Limiting abutment-to-implant hexagonal discrepancies and rotational movement of the abutment around the implant to less than 5 degrees would result in a more stable screw joint. However, the exact relationship after abutment screw tightening is unknown, as is the effect of a counter-torque device in limiting abutment movement during screw tightening. This study examined the orientation of the abutment hexagon to the implant hexagon after tightening of the abutment screw for several abutment systems with and without the use of a counter-torque device. Thirty conical self-tapping implants (3.75 x 10.0 mm) and 10 wide-platform Brånemark System implants (5.0 x 10.0 mm), along with 10 abutment specimens from the CeraOne, Estheticone, Procera, and AuraAdapt systems, were selected for this investigation. The implants were placed in a holding device prior to tightening of the abutments. When the tightening torque recommended for each abutment system was reached with the use of a torque controller, each implant abutment specimen was removed from the holding device and embedded in a hard resin medium. The specimens were sectioned in a horizontal direction at the level of the hexagons and cleansed of debris prior to examination. The hexagon orientations were assessed as the degree and direction of rotation of the abutment hexagon around the implant hexagon. The range of the maximum degrees of rotation for all 4 abutment groups tightened with or without the counter-torque device was slightly more than 3.53 degrees. The absolute degrees of rotation for all 4 abutment groups were less than 1.50 degrees with or without the use of the counter-torque device. The hexagon-to-hexagon orientation measured as rotational fit on all abutment systems was below the 5 degrees suggested as optimal for screw joint stability. The absolute degrees of rotation for all 4 abutment groups were less than 1.50 degrees regardless of whether the counter-torque device was used.

Demonstration of the feasibility of automated silicon solar cell fabrication

NASA Technical Reports Server (NTRS)

Taylor, W. E.; Schwartz, F. M.

1975-01-01

A study effort was undertaken to determine the process, steps and design requirements of an automated silicon solar cell production facility. Identification of the key process steps was made and a laboratory model was conceptually designed to demonstrate the feasibility of automating the silicon solar cell fabrication process. A detailed laboratory model was designed to demonstrate those functions most critical to the question of solar cell fabrication process automating feasibility. The study and conceptual design have established the technical feasibility of automating the solar cell manufacturing process to produce low cost solar cells with improved performance. Estimates predict an automated process throughput of 21,973 kilograms of silicon a year on a three shift 49-week basis, producing 4,747,000 hexagonal cells (38mm/side), a total of 3,373 kilowatts at an estimated manufacturing cost of $0.866 per cell or $1.22 per watt.

Measurement of intercolumnar forces between parallel guanosine four-stranded helices.

PubMed Central

Mariani, P; Saturni, L

1996-01-01

The deoxyguanosine-5'-monophosphate in aqueous solution self-associates into stable structures, which include hexagonal and cholesteric columnar phases. The structural unit is a four-stranded helix, composed of a stacked array of Hoogsteen-bonded guanosine quartets. We have measured by osmotic stress method the force per unit length versus interaxial distance between helices in the hexagonal phase under various ionic conditions. Two contributions have been recognized: the first one is purely electrostatic, is effective at large distances, and shows a strong dependence on the salt concentration of the solution. The second contribution is short range, dominates at interaxial separations smaller than about 30-32 A, and rises steeply as the columns approach each other, preventing the coalescence of the helices. This repulsion has an exponential nature and shows a magnitude and a decay length insensitive to the ionic strength of the medium. Because these features are distinctive of the hydration force detected between phospholipid bilayers or between several linear macromolecules (DNA, polysaccharides, collagen), we conclude that the dominant force experienced by deoxyguanosine helices approaching contact is hydration repulsion. The observed decay length of about 0.7 A has been rationalized to emerge from the coupling between the 3-A decay length of water solvent and the helically ordered structure of the hydrophilic groups on the opposing surfaces. The present results agree with recent measurements, also showing the dependence of the hydration force decay on the structure of interacting surfaces and confirm the correlations between force and structure. Images FIGURE 1 PMID:8744324

Fabrication of nickel hydroxide electrodes with open-ended hexagonal nanotube arrays for high capacitance supercapacitors.

PubMed

Wu, Mao-Sung; Huang, Kuo-Chih

2011-11-28

A nickel hydroxide electrode with open-ended hexagonal nanotube arrays, prepared by hydrolysis of nickel chloride in the presence of hexagonal ZnO nanorods, shows a very high capacitance of 1328 F g(-1) at a discharge current density of 1 A g(-1) due to the significantly improved ion transport.

Phase conversion from hexagonal CuS(y)Se(1-y) to cubic Cu(2-x)S(y)Se(1-y): composition variation, morphology evolution, optical tuning, and solar cell applications.

PubMed

Xu, Jun; Yang, Xia; Yang, Qingdan; Zhang, Wenjun; Lee, Chun-Sing

2014-09-24

In this work, we report a simple and low-temperature approach for the controllable synthesis of ternary Cu-S-Se alloys featuring tunable crystal structures, compositions, morphologies, and optical properties. Hexagonal CuS(y)Se(1-y) nanoplates and face centered cubic (fcc) Cu(2-x)S(y)Se(1-y) single-crystal-like stacked nanoplate assemblies are synthesized, and their phase conversion mechanism is well investigated. It is found that both copper content and chalcogen composition (S/Se atomic ratio) of the Cu-S-Se alloys are tunable during the phase conversion process. Formation of the unique single-crystal-like stacked nanoplate assemblies is resulted from oriented stacking coupled with the Ostwald ripening effect. Remarkably, optical tuning for continuous red shifts of both the band-gap absorption and the near-infrared localized surface plasmon resonance are achieved. Furthermore, the novel Cu-S-Se alloys are utilized for the first time as highly efficient counter electrodes (CEs) in quantum dot sensitized solar cells (QDSSCs), showing outstanding electrocatalytic activity for polysulfide electrolyte regeneration and yielding a 135% enhancement in power conversion efficiency (PCE) as compared to the noble metal Pt counter electrode.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muthu, R. Naresh, E-mail: rnaresh7708@gmail.com; Rajashabala, S.; Kannan, R.

2016-05-23

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% atmore » 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.« less

Non-noble catalysts and catalyst supports for phosphoric acid fuel cells

NASA Technical Reports Server (NTRS)

Mcalister, A. J.

1981-01-01

Tungsten carbide, which is active for hydrogen oxidation, is CO tolerant and has a hexagonal structure is discussed. Titanium carbide is inactive and has a cubic structure. Four different samples of the cubic alloys W sub x-1Ti sub XC sub 1-y were found to be active and CO tolerant. When the activities of these cubic alloys are weighted by the reciprocal of the square to those of highly forms of WC. They offer important insight into the nature of the active sites on W-C anode catalysts for use in phosphoric acid fuel cells.

Fabrication and photovoltaic properties of ZnO nanorods/perovskite solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shirahata, Yasuhiro; Tanaike, Kohei; Akiyama, Tsuyoshi

2016-02-01

ZnO nanorods/perovskite solar cells with different lengths of ZnO nanorods were fabricated. The ZnO nanorods were prepared by chemical bath deposition and directly confirmed to be hexagon-shaped nanorods. The lengths of the ZnO nanorads were controlled by deposition condition of ZnO seed layer. Photovoltaic properties of the ZnO nanorods/CH{sub 3}NH{sub 3}PbI{sub 3} solar cells were investigated by measuring current density-voltage characteristics and incident photon to current conversion efficiency. The highest conversion efficiency was obtained in ZnO nanorods/CH{sub 3}NH{sub 3}PbI{sub 3} with the longest ZnO nanorods.

Monoclinic structure of hydroxylpyromorphite Pb10(PO4)6(OH)2 - hydroxylmimetite Pb10(AsO4)6(OH)2 solid solution series

NASA Astrophysics Data System (ADS)

Giera, Alicja; Manecki, Maciej; Borkiewicz, Olaf; Zelek, Sylwia; Rakovan, John; Bajda, Tomasz; Marchlewski, Tomasz

2016-04-01

Seven samples of hydroxyl analogues of pyromorphite-mimetite solid solutions series were synthesized from aqueous solutions at 80° C in a computer-controlled chemistate: 200 mL aqueous solutions of 0.05M Pb(NO3)2 and 0.03M KH2AsO4 and/or KH2PO4 were dosed with a 0.25 mL/min rate to a glass beaker, which initially contained 100 mL of distilled water. Constant pH of 8 was maintained using 2M KOH. The syntheses yielded homogeneous fine-grained white precipitates composition of which was close to theoretical Pb10[(PO4)6-x(AsO4)x](OH)2, where x = 0, 1, 2, 3, 4, 5, 6. High-resolution powder X-ray diffraction data were obtained in transmission geometry at the beamline 11-BM at the Advanced Photon Source (Argonne National Laboratory in Illinois, USA). The structure Rietveld refinements based on starting parameters of either hexagonal hydroxylpyromorphite or monoclinic mimetite-M were performed using GSAS+EXPGUI software. Apatite usually crystallizes in the hexagonal crystal system with the space group P63/m. For the first time, however, the lowering of the hexagonal to monoclinic crystal symmetry was observed in the hydroxyl variety of pyromorphite-mimetite solid solution series. This is indicated by better fitting of the modeled monoclinic structure to the experimental data. The same is not the case for analogous calcium hydroxylapatite series Ca5(PO4)3OH - Ca5(AsO4)3OH (Lee et al. 2009). Systematical linear increase of unit cell parameters is observed with As substitution from a=9.88, b=19.75, and c=7.43 for Pb10(PO4)6(OH)2 to a=10.23, b=20.32, and c=7.51 for Pb10(AsO4)6(OH)2. A strong pseudohexagonal character (γ ≈ 120° and b ≈ 2a) of the analyzed monoclinic phases was established. This work is partially funded by AGH research grant no 11.11.140.319 and partially by Polish NCN grant No 2011/01/M/ST10/06999. Lee Y.J., Stephens P.W., Tang Y., Li W., Philips B.L., Parise J.B., Reeder R.J., 2009. Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution. American Mineralogist, 94, 666-675.

Templated synthesis of nanoporous titania/nanocarbon composites

NASA Astrophysics Data System (ADS)

Mistry, Jayur

Hexagonally patterned (honeycomb structured) nano-porous titania finds distinct applications in the field of material science, electronics, and catalysis. The preparation of titania/nanocarbon composites was carried out using titanium iso-propoxide precursor and a viscous surfactant templated system arranged into nanoscopic channels of water and iso-octane. Nanocarbon was introduced into the titania pores, as it was dispersed into the water (used to increase the W0), while making templets. Prepared titania/nanocarbon composites were analyzed under scanning electron microscopy (SEM), transmission electron microscope (TEM), and X-ray diffraction (XRD) after a specific heat treatment. SEM and TEM allows us to see the morphology of the hexagonally patterned templates and XRD shows the change in the crystallinity of the titania after the heat treatment. Further tests are run with the Solartron™ CellTest potentiostat syste, which, allows us to study the electrical properties of the nanocomposites. The composites synthesized have wide applications in number of fields, including energy, sensors and electronics.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less

Water soluble (Ln3+) doped nanoparticle: Retention of strong luminescence

NASA Astrophysics Data System (ADS)

Attar, Tarannum Vahid; Khandpekar, Mahendra M.

2018-04-01

This paper deals with the synthesis of hexagonal nanoparticles of LaF3: Nd, Ho (LFNH) in the presence of LaCl3.7H2O and NH4F by precipitation method using deionized water as solvent. The nanoparticles have a nearly hexagonal shape with cell parameters, a = b = 7.0980 AU and c = 7.2300 AU and confirms with the JCPDS standard card (32-0483) of pure LaF3 crystals. The TEM results show that the average sizes of these nanoparticles are 15nm which is consistent with the sizes obtained from XRD measurements. The SEM image shows uniform size distribution of the nanoparticles. Detection of Second harmonic generation (SHG) signal together with the presence of wide transparency window (UV studies) makes LFNH suitable for optoelectronic applications. The Photoluminescence of the nanocrystals has been observed by excitation and emission spectra. The peak at 629nm indicates red up conversion fluorescence useful in applications like bioimaging and biolabelling.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

DOE PAGES

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; ...

2014-04-03

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

NASA Astrophysics Data System (ADS)

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

2017-01-01

The atomic volume of rare earth metal dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 and 7 K in a diamond anvil cell using angle dispersive X-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close-packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (TN) that changes rapidly with increasing pressure. Our experimental measurement shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature TN at all pressures up to 35 GPa.

Non-Reciprocal on Wafer Microwave Devices

DTIC Science & Technology

2015-05-27

filter uses a barium hexagonal ferrite film incorporated into the dielectric layer of a microstrip transmission line. The zero-field operational...Fal,, Robert E. Camley. Millimeter wave phase shifter based on ferromagnetic resonancein a hexagonal barium ferrite thin film, Applied Physics...materials for on-wafer microwave devices concentrated on barium hexagonal ferrite (BaM) films grown on Si because these material is a good candidate

Van der Waals epitaxy and photoresponse of hexagonal tellurium nanoplates on flexible mica sheets.

PubMed

Wang, Qisheng; Safdar, Muhammad; Xu, Kai; Mirza, Misbah; Wang, Zhenxing; He, Jun

2014-07-22

Van der Waals epitaxy (vdWE) is of great interest due to its extensive applications in the synthesis of ultrathin two-dimensional (2D) layered materials. However, vdWE of nonlayered functional materials is still not very well documented. Here, although tellurium has a strong tendency to grow into one-dimensional nanoarchitecture due to its chain-like structure, we successfully realize 2D hexagonal tellurium nanoplates on flexible mica sheets via vdWE. Chemically inert mica surface is found to be crucial for the lateral growth of hexagonal tellurium nanoplates since it (1) facilitates the migration of tellurium adatoms along mica surface and (2) allows a large lattice mismatch. Furthermore, 2D tellurium hexagonal nanoplates-based photodetectors are in situ fabricated on flexible mica sheets. Efficient photoresponse is obtained even after bending the device for 100 times, indicating 2D tellurium hexagonal nanoplates-based photodetectors on mica sheets have a great application potential in flexible and wearable optoelectronic devices. We believe the fundamental understanding of vdWE effect on the growth of 2D tellurium hexagonal nanoplate can pave the way toward leveraging vdWE as a useful channel to realize the 2D geometry of other nonlayered materials.

Controllable growth of shaped graphene domains by atmospheric pressure chemical vapour deposition

NASA Astrophysics Data System (ADS)

Fan, Lili; Li, Zhen; Li, Xiao; Wang, Kunlin; Zhong, Minlin; Wei, Jinquan; Wu, Dehai; Zhu, Hongwei

2011-12-01

Graphene domains in different shapes have been grown on copper substrates via atmospheric pressure chemical vapour deposition by controlling the growth process parameters. Under stabilized conditions, graphene domains tend to be six-fold symmetric hexagons under low flow rate methane with some domains in an irregular hexagonal shape. After further varying the growth duration, methane flow rate, and temperature, graphene domains have developed shapes from hexagon to shovel and dendrite. Two connecting modes, through overlap and merging of adjacent graphene domains, are proposed.Graphene domains in different shapes have been grown on copper substrates via atmospheric pressure chemical vapour deposition by controlling the growth process parameters. Under stabilized conditions, graphene domains tend to be six-fold symmetric hexagons under low flow rate methane with some domains in an irregular hexagonal shape. After further varying the growth duration, methane flow rate, and temperature, graphene domains have developed shapes from hexagon to shovel and dendrite. Two connecting modes, through overlap and merging of adjacent graphene domains, are proposed. Electronic supplementary information (ESI) available: Schematics of CVD setups for graphene growth, Raman spectra and SEM images. See DOI: 10.1039/c1nr11480h

On the sighted ancestry of blindness - exceptionally preserved eyes of Mesozoic polychelidan lobsters.

PubMed

Audo, Denis; Haug, Joachim T; Haug, Carolin; Charbonnier, Sylvain; Schweigert, Günter; Müller, Carsten H G; Harzsch, Steffen

2016-01-01

Modern representatives of Polychelida (Polychelidae) are considered to be entirely blind and have largely reduced eyes, possibly as an adaptation to deep-sea environments. Fossil species of Polychelida, however, appear to have well-developed compound eyes preserved as anterior bulges with distinct sculpturation. We documented the shapes and sizes of eyes and ommatidia based upon exceptionally preserved fossil polychelidans from Binton (Hettangian, United-Kingdom), Osteno (Sinemurian, Italy), Posidonia Shale (Toarcian, Germany), La Voulte-sur-Rhône (Callovian, France), and Solnhofen-type plattenkalks (Kimmeridgian-Tithonian, Germany). For purposes of comparison, sizes of the eyes of several other polychelidans without preserved ommatidia were documented. Sizes of ommatidia and eyes were statistically compared against carapace length, taxonomic group, and outcrop. Nine species possess eyes with square facets; Rosenfeldia oppeli (Woodward, 1866), however, displays hexagonal facets. The sizes of eyes and ommatidia are a function of carapace length. No significant differences were discerned between polychelidans from different outcrops; Eryonidae, however, have significantly smaller eyes than other groups. Fossil eyes bearing square facets are similar to the reflective superposition eyes found in many extant decapods. As such, they are the earliest example of superposition eyes. As reflective superposition is considered plesiomorphic for Reptantia, this optic type was probably retained in Polychelida. The two smallest specimens, a Palaeopentacheles roettenbacheri (Münster, 1839) and a Hellerocaris falloti (Van Straelen, 1923), are interpreted as juveniles. Both possess square-shaped facets, a typical post-larval feature. The eye morphology of these small specimens, which are far smaller than many extant eryoneicus larvae, suggests that Jurassic polychelidans did not develop via giant eryoneicus larvae. In contrast, another species we examined, Rosenfeldia oppeli (Woodward, 1866), did not possess square-shaped facets, but rather hexagonal ones, which suggests that this species did not possess reflective superposition eyes. The hexagonal facets may indicate either another type of superposition eye (refractive or parabolic superposition), or an apposition eye. As decapod larvae possess apposition eyes with hexagonal facets, it is most parsimonious to consider eyes of R. oppeli as apposition eyes evolved through paedomorphic heterochrony. Polychelidan probably originally had reflective superposition. R. oppeli, however, probably gained apposition eyes through paedomorphosis.

Next-generation biomedical implants using additive manufacturing of complex, cellular and functional mesh arrays.

PubMed

Murr, L E; Gaytan, S M; Medina, F; Lopez, H; Martinez, E; Machado, B I; Hernandez, D H; Martinez, L; Lopez, M I; Wicker, R B; Bracke, J

2010-04-28

In this paper, we examine prospects for the manufacture of patient-specific biomedical implants replacing hard tissues (bone), particularly knee and hip stems and large bone (femoral) intramedullary rods, using additive manufacturing (AM) by electron beam melting (EBM). Of particular interest is the fabrication of complex functional (biocompatible) mesh arrays. Mesh elements or unit cells can be divided into different regions in order to use different cell designs in different areas of the component to produce various or continually varying (functionally graded) mesh densities. Numerous design elements have been used to fabricate prototypes by AM using EBM of Ti-6Al-4V powders, where the densities have been compared with the elastic (Young) moduli determined by resonant frequency and damping analysis. Density optimization at the bone-implant interface can allow for bone ingrowth and cementless implant components. Computerized tomography (CT) scans of metal (aluminium alloy) foam have also allowed for the building of Ti-6Al-4V foams by embedding the digital-layered scans in computer-aided design or software models for EBM. Variations in mesh complexity and especially strut (or truss) dimensions alter the cooling and solidification rate, which alters the alpha-phase (hexagonal close-packed) microstructure by creating mixtures of alpha/alpha' (martensite) observed by optical and electron metallography. Microindentation hardness measurements are characteristic of these microstructures and microstructure mixtures (alpha/alpha') and sizes.

Proper cytoskeletal architecture beneath the plasma membrane of red blood cells requires Ttll4

PubMed Central

Ijaz, Faryal; Hatanaka, Yasue; Hatanaka, Takahiro; Tsutsumi, Koji; Iwaki, Takayuki; Umemura, Kazuo; Ikegami, Koji; Setou, Mitsutoshi

2017-01-01

Mammalian red blood cells (RBCs) circulate through blood vessels, including capillaries, for tens of days under high mechanical stress. RBCs tolerate this mechanical stress while maintaining their shape because of their elastic membrane skeleton. This membrane skeleton consists of spectrin-actin lattices arranged as quasi-hexagonal units beneath the plasma membrane. In this study, we found that the organization of the RBC cytoskeleton requires tubulin tyrosine ligase–like 4 (Ttll4). RBCs from Ttll4-knockout mice showed larger average diameters in smear test. Based on the rate of hemolysis, Ttll4-knockout RBCs showed greater vulnerability to phenylhydrazine-induced oxidative stress than did wild-type RBCs. Ultrastructural analyses revealed the macromolecular aggregation of cytoskeletal components in RBCs of Ttll4-knockout mice. Immunoprecipitation using the anti-glutamylation antibody GT335 revealed nucleosome assembly protein 1 (NAP1) to be the sole target of TTLL4 in the RBCs, and NAP1 glutamylation was completely lost in Ttll4-knockout RBCs. In wild-type RBCs, the amount of glutamylated NAP1 in the membrane was nearly double that in the cytosol. Furthermore, the absence of TTLL4-dependent glutamylation of NAP1 weakened the binding of NAP1 to the RBC membrane. Taken together, these data demonstrate that Ttll4 is required for proper cytoskeletal organization in RBCs. PMID:27974641

Synthesis, electrochemical investigation and structural analysis of doped Li[Ni0.6Mn0.2Co0.2-xMx]O2 (x = 0, 0.05; M = Al, Fe, Sn) cathode materials

NASA Astrophysics Data System (ADS)

Eilers-Rethwisch, Matthias; Winter, Martin; Schappacher, Falko Mark

2018-05-01

Layered Ni-rich Li[Ni0.6Mn0.2Co0.2-xMx]O2 cathode materials (x = 0, 0.05; M = Al, Fe, Sn) are synthesized via a co-precipitation synthesis route and the effect of dopants on the structure and electrochemical performance is investigated. All synthesized materials show a well-defined layered structure of the hexagonal α-NaFeO2 phase investigated by X-ray diffraction (XRD). Undoped LiNi0.6Mn0.2Co0.2O2 exhibits a discharge capacity of 170 mAh g-1 in Li-metal 2032 coin-type cells. Doped materials reach lower capacities between 145 mAh g-1 for Al and 160 mAh g-1 for Sn. However, all doped materials prolong the cycle life by up to 20%. Changes of the lattice parameter before and after delithiation yield information about structural stability. A smaller repulsion of the transition metal layer during delithiation in the Sn-doped material leads to a smaller expansion of the unit cell, which results in enhanced structural stability of the material. The improved structural stability of Sn-doped NMC cathode active material is proven by thermal investigations with the help of Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA).

Hydration-induced crystalline transformation of starch polymer under ambient conditions.

PubMed

Qiao, Dongling; Zhang, Binjia; Huang, Jing; Xie, Fengwei; Wang, David K; Jiang, Fatang; Zhao, Siming; Zhu, Jie

2017-10-01

With synchrotron small/wide-angle X-ray scattering (SAXS/WAXS), we revealed that post-harvest hydration at ambient conditions can further alter the starch crystalline structure. The hydration process induced the alignment of starch helices into crystalline lamellae, irrespective of the starch type (A- or B-). In this process, non-crystalline helices were probably packed with water molecules to form new crystal units, thereby enhancing the overall concentration of starch crystallinity. In particular, a fraction of the monoclinic crystal units of the A-type starches encapsulated water molecules during hydration, leading to the outward movement of starch helices. Such movement resulted in the transformation of monoclinic units into hexagonal units, which was associated with the B-type crystallites. Hence, the hydration under ambient conditions could enhance the B-polymorphic features for both A-type and B-type starches. The new knowledge obtained here may guide the design of biopolymer-based liquid crystal materials with controlled lattice regularity and demanded features. Copyright © 2017 Elsevier B.V. All rights reserved.

Highly efficient upconversion luminescence in hexagonal NaYF4:Yb3+, Er3+ nanocrystals synthesized by a novel reverse microemulsion method

NASA Astrophysics Data System (ADS)

Gunaseelan, M.; Yamini, S.; Kumar, G. A.; Senthilselvan, J.

2018-01-01

A new reverse microemulsion system is proposed for the first time to synthesize NaYF4:Yb,Er nanocrystals, which demonstrated high upconversion emission in 550 and 662 nm at 980 nm diode laser excitation. The reverse microemulsion (μEs) system is comprised of CTAB and oleic acid as surfactant and 1-butanol co-surfactant and isooctane oil phase. The surfactant to water ratio is able to tune the microemulsion droplet size from 14 to 220 nm, which eventually controls the crystallinity and particulate morphology of NaYF4:Yb,Er. Also, the microemulsion precursor and calcination temperature plays certain role in transforming the cubic NaYF4:Yb,Er to highly luminescent hexagonal crystal structured upconversion material. Single phase hexagonal NaYF4:YbEr nanorod prepared by water-in-oil reverse microemulsion (μEs) gives intense red upconversion emission. Both nanosphere and nanorod shaped NaYF4:Yb,Er was obtained, but nanorod morphology resulted an enhanced upconversion luminescence. The structural, morphological, thermal and optical luminescence properties of the NaYF4:Yb,Er nanoparticles are discussed in detail by employing powder X-ray diffraction, dynamic light scattering, high resolution electron microscopy, TGA-DTA, UV-DRS, FTIR and photoluminescence spectroscopy. Intense upconversion emission achieved in the microemulsion synthesized NaYF4:Yb3+,Er3+ nanocrystal can make it as useful optical phosphor for solar cell applications.

Direct calculation of ice homogeneous nucleation rate for a molecular model of water.

PubMed

Haji-Akbari, Amir; Debenedetti, Pablo G

2015-08-25

Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature.

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

PubMed Central

Haji-Akbari, Amir; Debenedetti, Pablo G.

2015-01-01

Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature. PMID:26240318

STIR: Novel Electronic States by Gating Strongly Correlated Materials

DTIC Science & Technology

2016-03-01

plan built on my group’s recent demonstration of electrolyte gating in Strontium Titanate, using an atomically thin hexagonal Boron Nitride barrier to...demonstration of electrolyte gating in Strontium Titanate, using an atomically thin hexagonal Boron Nitride barrier to prevent disorder and chemical...techniques and learned to apply thin hexagonal Boron Nitride to single crystals of materials expected to show some of the most exciting correlated

WE-G-204-03: Photon-Counting Hexagonal Pixel Array CdTe Detector: Optimal Resampling to Square Pixels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shrestha, S; Vedantham, S; Karellas, A

Purpose: Detectors with hexagonal pixels require resampling to square pixels for distortion-free display of acquired images. In this work, the presampling modulation transfer function (MTF) of a hexagonal pixel array photon-counting CdTe detector for region-of-interest fluoroscopy was measured and the optimal square pixel size for resampling was determined. Methods: A 0.65mm thick CdTe Schottky sensor capable of concurrently acquiring up to 3 energy-windowed images was operated in a single energy-window mode to include ≥10 KeV photons. The detector had hexagonal pixels with apothem of 30 microns resulting in pixel spacing of 60 and 51.96 microns along the two orthogonal directions.more » Images of a tungsten edge test device acquired under IEC RQA5 conditions were double Hough transformed to identify the edge and numerically differentiated. The presampling MTF was determined from the finely sampled line spread function that accounted for the hexagonal sampling. The optimal square pixel size was determined in two ways; the square pixel size for which the aperture function evaluated at the Nyquist frequencies along the two orthogonal directions matched that from the hexagonal pixel aperture functions, and the square pixel size for which the mean absolute difference between the square and hexagonal aperture functions was minimized over all frequencies up to the Nyquist limit. Results: Evaluation of the aperture functions over the entire frequency range resulted in square pixel size of 53 microns with less than 2% difference from the hexagonal pixel. Evaluation of the aperture functions at Nyquist frequencies alone resulted in 54 microns square pixels. For the photon-counting CdTe detector and after resampling to 53 microns square pixels using quadratic interpolation, the presampling MTF at Nyquist frequency of 9.434 cycles/mm along the two directions were 0.501 and 0.507. Conclusion: Hexagonal pixel array photon-counting CdTe detector after resampling to square pixels provides high-resolution imaging suitable for fluoroscopy.« less

"Hexagonal molybdenum trioxide"--known for 100 years and still a fount of new discoveries.

PubMed

Lunk, Hans-Joachim; Hartl, Hans; Hartl, Monika A; Fait, Martin J G; Shenderovich, Ilya G; Feist, Michael; Frisk, Timothy A; Daemen, Luke L; Mauder, Daniel; Eckelt, Reinhard; Gurinov, Andrey A

2010-10-18

In 1906, the preparation of “molybdic acid hydrate” was published by Arthur Rosenheim. Over the past 40 years, a multitude of isostructural compounds, which exist within a wide phase range of the system MoO3−NH3−H2O, have been published. The reported molecular formulas of “hexagonal molybdenum oxide” varied from MoO3 to MoO3·0.33NH3 to MoO3·nH2O (0.09 ≤ n ≤ 0.69) to MoO3·mNH3·nH2O (0.09 ≤ m ≤ 0.20; 0.18 ≤ n ≤ 0.60). Samples, prepared by the acidification route were investigated using thermal analysis coupled online to a mass spectrometer for evolved gas analysis, X-ray powder diffraction, Fourier transform infrared, Raman, magic-angle-spinning 1H- and 15N NMR spectroscopy, and incoherent inelastic neutron scattering. A comprehensive characterization of these samples will lead to a better understanding of their structure and physical properties as well as uncover the underlying relationship between the various compositions. The synthesized polymeric parent samples can be represented by the structural formula (NH4)(x∞)(3)[Mo(y square 1−y)O(3y)(OH)(x)(H2O)(m−n)]·nH2O with 0.10 ≤ x ≤ 0.14, 0.84 ≤ y ≤ 0.88, and m + n ≥ 3 − x − 3y. The X-ray study of a selected monocrystal confirmed the presence of the well-known 3D framework of edge- and corner-sharing MoO6 octahedra. The colorless monocrystal crystallizes in the hexagonal system with space group P6(3)/m, Z = 6, and unit cell parameters of a = 10.527(1) Å, c = 3.7245(7) Å, V = 357.44(8) Å3, and ρ = 3.73 g·cm(−3). The structure of the prepared monocrystal can best be described by the structural formula (NH4)(0.13∞)(3)[Mo(0.86 square 0.14)O2.58(OH)0.13(H2O)(0.29−n)]·nH2O, which is consistent with the existence of one vacancy (square) for six molybdenum sites. The sample MoO3·0.326NH3·0.343H2O, prepared by the ammoniation of a partially dehydrated MoO3·0.170NH3·0.153H2O with dry gaseous ammonia, accommodates NH3 in the hexagonal tunnels, in addition to [NH4]+ cations and H2O. The “chimie douce” reaction of MoO3·0.155NH3·0.440H2O with a 1:1 mixture of NO/NO2 at 100 °C resulted in the synthesis of MoO3·0.539H2O. This material is of great interest as a host of various molecules and cations.

Territorial organization of the lowland classic maya.

PubMed

Marcus, J

1973-06-01

Thus far I have discussed ancient Maya sociopolitical structure from the upper levels of the hierarchy downward. Let me now summarize their territorial organization from the bottom upward, starting at the hamlet level (Fig. 8). The smallest unit of settlement-one usually overlooked by archeological surveys in the lowland rain forest-was probably a cluster of thatched huts occupied by a group of related families; larger clusters may have been divided into four quadrants along the lines suggested by Coe (26). Because of the long fallow period (6 to 8 years) characteristic of slash-and-burn agriculture in the Petén, these small hamlets are presumed to have changed location over the years, although they probably shifted in a somewhat circular fashion around a tertiary ceremonial-civic center for whose maintenance they were partly responsible. These tertiary centers were spaced at fairly regular intervals around secondary ceremonial-civic centers with pyramids, carved monuments, and palace-like residences. In turn, the secondary centers occurred at such regular intervals as to form hexagonal patterns around primary centers, which were still larger, with acropolises, multiple ceremonial plazas, and greater numbers of monuments. In some cases, the distance between secondary centers was roughly twice the distance between secondary and tertiary centers, creating a lattice of nested hexagonal cells. This pattern, which conforms to a Western theoretical construct, was presumably caused by factors of service function, travel, and transport. The pattern was not recognized by the Maya at all. They simply recognized that a whole series of smaller centers were dependent on a primary center and therefore mentioned its emblem glyph. Linking the centers of the various hexagons were marriage alliances between members of royal dynasties, who had no kinship ties with the farmers in the hamlets. Out of the large number of primary centers available to them, the Maya selected four as regional capitals. True to their cosmology, the Maya regarded these capitals as associated with the four quadrants of their realm, regardless of their actual location. Each was the home city for a very important dynasty whose junior members probably ruled secondary centers. Since the hexagonal lattices were probably adjusted to variations in population density, each of the four quadrants of the Maya realm probably controlled a comparable number of persons. So strong was the cognized model that, despite the rise and fall of individual centers, there seem always to have been four capitals, each associated with a direction and, presumably, with a color. There is still a great deal to learn about the social, political, and territorial organization of the lowland Maya, and parts of the picture presented here need far more data for their confirmation. What seems likely is that the Maya had an overall quadripartite organization (rather than a core and buffer zone) and that within each quadrant there was at least a five-tiered administrative hierarchy of capital, secondary center, tertiary center, village, and hamlet. Perhaps most significant, there was no real conflict between the lattice-like network predicted by locational analysis and the cosmological four-part structure predicted by epigraphy and ethnology.

Potential of dynamic spectrum allocation in LTE macro networks

NASA Astrophysics Data System (ADS)

Hoffmann, H.; Ramachandra, P.; Kovács, I. Z.; Jorguseski, L.; Gunnarsson, F.; Kürner, T.

2015-11-01

In recent years Mobile Network Operators (MNOs) worldwide are extensively deploying LTE networks in different spectrum bands and utilising different bandwidth configurations. Initially, the deployment is coverage oriented with macro cells using the lower LTE spectrum bands. As the offered traffic (i.e. the requested traffic from the users) increases the LTE deployment evolves with macro cells expanded with additional capacity boosting LTE carriers in higher frequency bands complemented with micro or small cells in traffic hotspot areas. For MNOs it is crucial to use the LTE spectrum assets, as well as the installed network infrastructure, in the most cost efficient way. The dynamic spectrum allocation (DSA) aims at (de)activating the available LTE frequency carriers according to the temporal and spatial traffic variations in order to increase the overall LTE system performance in terms of total network capacity by reducing the interference. This paper evaluates the DSA potential of achieving the envisaged performance improvement and identifying in which system and traffic conditions the DSA should be deployed. A self-optimised network (SON) DSA algorithm is also proposed and evaluated. The evaluations have been carried out in a hexagonal and a realistic site-specific urban macro layout assuming a central traffic hotspot area surrounded with an area of lower traffic with a total size of approximately 8 × 8 km2. The results show that up to 47 % and up to 40 % possible DSA gains are achievable with regards to the carried system load (i.e. used resources) for homogenous traffic distribution with hexagonal layout and for realistic site-specific urban macro layout, respectively. The SON DSA algorithm evaluation in a realistic site-specific urban macro cell deployment scenario including realistic non-uniform spatial traffic distribution shows insignificant cell throughput (i.e. served traffic) performance gains. Nevertheless, in the SON DSA investigations, a gain of up to 25 % has been observed when analysing the resource utilisation in the non-hotspot cells.

Nanostructured Ti-Zr-Pd-Si-(Nb) bulk metallic composites: Novel biocompatible materials with superior mechanical strength and elastic recovery.

PubMed

Hynowska, A; Blanquer, A; Pellicer, E; Fornell, J; Suriñach, S; Baró, M D; Gebert, A; Calin, M; Eckert, J; Nogués, C; Ibáñez, E; Barrios, L; Sort, J

2015-11-01

The microstructure, mechanical behaviour, and biocompatibility (cell culture, morphology, and cell adhesion) of nanostructured Ti45 Zr15 Pd35- x Si5 Nbx with x = 0, 5 (at. %) alloys, synthesized by arc melting and subsequent Cu mould suction casting, in the form of rods with 3 mm in diameter, are investigated. Both Ti-Zr-Pd-Si-(Nb) materials show a multi-phase (composite-like) microstructure. The main phase is cubic β-Ti phase (Im3m) but hexagonal α-Ti (P63/mmc), cubic TiPd (Pm3m), cubic PdZr (Fm3m), and hexagonal (Ti, Zr)5 Si3 (P63/mmc) phases are also present. Nanoindentation experiments show that the Ti45 Zr15 Pd30 Si5 Nb5 sample exhibits lower Young's modulus than Ti45 Zr15 Pd35 Si5 . Conversely, Ti45 Zr15 Pd35 Si5 is mechanically harder. Actually, both alloys exhibit larger values of hardness when compared with commercial Ti-40Nb, (HTi-Zr-Pd-Si ≈ 14 GPa, HTi-Zr-Pd-Si-Nb ≈ 10 GPa and HTi-40Nb ≈ 2.7 GPa). Concerning the biological behaviour, preliminary results of cell viability performed on several Ti-Zr-Pd-Si-(Nb) discs indicate that the number of live cells is superior to 94% in both cases. The studied Ti-Zr-Pd-Si-(Nb) bulk metallic system is thus interesting for biomedical applications because of the outstanding mechanical properties (relatively low Young's modulus combined with large hardness), together with the excellent biocompatibility. © 2014 Wiley Periodicals, Inc.

Anomalous fast dynamics of adsorbate overlayers near an incommensurate structural transition.

PubMed

Granato, Enzo; Ying, S C; Elder, K R; Ala-Nissila, T

2013-09-20

We investigate the dynamics of a compressively strained adsorbed layer on a periodic substrate via a simple two-dimensional model that admits striped and hexagonal incommensurate phases. We show that the mass transport is superfast near the striped-hexagonal phase boundary and in the hexagonal phase. For an initial step profile separating a bare substrate region (or "hole") from the rest of a striped incommensurate phase, the superfast domain wall dynamics leads to a bifurcation of the initial step profile into two interfaces or profiles propagating in opposite directions with a hexagonal phase in between. This yields a theoretical understanding of the recent experiments for the Pb/Si(111) system.

Experimental static aerodynamics of a regular hexagonal prism in a low density hypervelocity flow

NASA Technical Reports Server (NTRS)

Guy, R. W.; Mueller, J. N.; Lee, L. P.

1972-01-01

A regular hexagonal prism, having a fineness ratio of 1.67, has been tested in a wind tunnel to determine its static aerodynamic characteristics in a low-density hypervelocity flow. The prism tested was a 1/4-scale model of the graphite heat shield which houses the radioactive fuel for the Viking spacecraft auxiliary power supply. The basic hexagonal prism was also modified to simulate a prism on which ablation of one of the six side flats had occurred. This modified hexagonal prism was tested to determine the effects on the aerodynamic characteristics of a shape change caused by ablation during a possible side-on stable reentry.

Effect of hexagonal hillock on luminescence characteristic of multiple quantum wells structure

NASA Astrophysics Data System (ADS)

Du, Jinjuan; Xu, Shengrui; Li, Peixian; Zhang, Jincheng; Zhao, Ying; Peng, Ruoshi; Fan, Xiaomeng; Hao, Yue

2018-04-01

GaN based ultraviolet multiple quantum well structures grown on a c-plane sapphire substrate by metal organic chemical deposition showed a microstructure with a large amount of huge hexagonal hillocks. The polarity of the sample is confirmed by etching with sodium hydroxide solution. The luminous intensity distribution of a typical hexagonal hillock was investigated by the phototluminescent mapping and the luminous intensity at hillock top regions was found to be 15 times higher than that of the regions around hillocks. The reduction of dislocations, the decreasing of the quantum confirmed stack effect caused by semipolar plane and the inclination of the sidewalls of the hexagonal hillock were responsible for the enhancement of luminous intensity.

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

NASA Astrophysics Data System (ADS)

Komarova, M. A.; Gorodtsov, V. A.; Lisovenko, D. S.

2018-04-01

In this paper, the variability of elastic characteristics (Young’s modulus and Poisson’s ratio) of hexagonal crystals has been studied. Analytic expressions for Young’s modulus and Poisson’s ratio are obtained. Stationary values for these elastic characteristics are found. Young’s modulus has three stationary values, and Poisson’s ratio has eight stationary values. Numerical analysis of these elastic characteristics for hexagonal crystals is given based on the experimental data from the Landolt-Börnstein handbook. Global extrema of Young’s modulus and Poisson’s ratio for hexagonal crystals are found. Crystals are found in which the maximum values exceeds the upper limit for isotropic materials.

Multifunctional Inflatable Structure Being Developed for the PowerSphere Concept

NASA Technical Reports Server (NTRS)

Peterson, Todd T.

2004-01-01

NASA has funded a collaborative team of The Aerospace Corporation, ILC Dover, Lockheed Martin, and NASA Glenn Research Center to develop the Multifunctional Inflatable Structure (MIS) for a "PowerSphere" concept through a NASA Research Announcement. This power system concept has several advantages, including a high collection area, low weight and stowage volume, and the elimination of all solar array pointing mechanisms. The current 3-year effort will culminate with the fabrication and testing of a fully functional engineering development unit. The baseline design of the Power-Sphere consists of two opposing semispherical domes connected to a central spacecraft. Each semispherical dome consists of hexagonal and pentagonal solar cell panels that together form a geodetic sphere. Inflatable ultraviolet (UV) rigidizable tubular hinges between the solar cell panels and UV rigidizable isogrid center columns with imbedded flex circuitry form the MIS. The reference configuration for the PowerSphere is a 0.6-m-diameter (fully deployed) spacecraft with a total mass budget of 4 kg (1 kg for PowerSphere, 3 kg for spacecraft) capable of producing 29 W of electricity with 10-percent-efficient thin-film solar cells. In a stowed configuration, the solar cell panels will be folded sequentially to the outside of the instrument decks. The center column will be z-folded between the instrument decks and the spacecraft housing for packaging. The instrument panel will secure the z-folded stack with launch ties. After launch, once the release tie is triggered, the center column and hinge tubes will inflate and be rigidized in their final configurations by ultraviolet radiation. The overall PowerSphere deployment sequence is shown pictorially in the following illustration.

Discovery of a hexagonal ultradense hydrous phase in (Fe,Al)OOH

NASA Astrophysics Data System (ADS)

Zhang, Li; Yuan, Hongsheng; Meng, Yue; Mao, Ho-kwang

2018-03-01

A deep lower-mantle (DLM) water reservoir depends on availability of hydrous minerals which can store and transport water into the DLM without dehydration. Recent discoveries found hydrous phases AlOOH (Z = 2) with a CaCl2-type structure and FeOOH (Z = 4) with a cubic pyrite-type structure stable under the high-pressure–temperature (P-T) conditions of the DLM. Our experiments at 107–136 GPa and 2,400 K have further demonstrated that (Fe,Al)OOH is stabilized in a hexagonal lattice. By combining powder X-ray-diffraction techniques with multigrain indexation, we are able to determine this hexagonal hydrous phase with a = 10.5803(6) Å and c = 2.5897(3) Å at 110 GPa. Hexagonal (Fe,Al)OOH can transform to the cubic pyrite structure at low T with the same density. The hexagonal phase can be formed when δ-AlOOH incorporates FeOOH produced by reaction between water and Fe, which may store a substantial quantity of water in the DLM.

Bi2Te3 thin hexagonal nanoplatelets: Synthesis and its characterization studies

NASA Astrophysics Data System (ADS)

Vinoth, S.; Balaganapathi, T.; KaniAmuthan, B.; Arun, T.; Muthuselvam, I. Panneer; Chou, Fang-Cheng; Thilakan, P.

2017-08-01

Solvothermal synthesis and optimization of pure Bismuth telluride (Bi2Te3) hexagonal nanoplatelets was carried out from Bismuth Oxide (Bi2O3) and Tellurium dioxide (TeO2). XRD measurements revealed a sensitive change in crystallization behaviour in correlation with variation in Te/Bi stoichiometry identified through the exchange in intensities between (10 10 ̅) and (110) peaks. Further, Energy Dispersive X-ray (EDAX) analysis revealed the variation in Te/Bi ratio with respect to autoclave temperature. Field emission scanning electron Microscope (FESEM) and the high resolution transmission electron Microscope (HRTEM) studies show the complete growth of hexagonal nanoplatelets at 200 °C. Confocal Micro-Raman measurements revealed the occurrence of symmetry breaking in the synthesized hexagonal nanoplatelets. The electrical conductivity and the activation energy were recorded as 6.01×10-3 S/m and 0.042 eV respectively. Highest maximum absolute value of Seebeck coefficient of -355 μV/K was obtained for the hexagonal nanoplatelets.

Design considerations for quasi-phase-matching in doubly resonant lithium niobate hexagonal micro-resonators

NASA Astrophysics Data System (ADS)

Sono, Tleyane J.; Riziotis, Christos; Mailis, Sakellaris; Eason, Robert W.

2017-09-01

Fabrication capabilities of high optical quality hexagonal superstructures by chemical etching of inverted ferroelectric domains in lithium niobate platform suggests a route for efficient implementation of compact hexagonal microcavities. Such nonlinear optical hexagonal micro-resonators are proposed as a platform for second harmonic generation (SHG) by the combined mechanisms of total internal reflection (TIR) and quasi-phase-matching (QPM). The proposed scheme for SHG via TIR-QPM in a hexagonal microcavity can improve the efficiency and also the compactness of SHG devices compared to traditional linear-type based devices. A simple theoretical model based on six-bounce trajectory and phase matching conditions was capable for obtaining the optimal cavity size. Furthermore numerical simulation results based on finite difference time domain beam propagation method analysis confirmed the solutions obtained by demonstrating resonant operation of the microcavity for the second harmonic wave produced by TIR-QPM. Design aspects, optimization issues and characteristics of the proposed nonlinear device are presented.

Surfactant-assisted growth and optical properties of ZnO hexagonal bilayer disk-like microstructures

NASA Astrophysics Data System (ADS)

Zhu, Q. P.; Shen, X. Y.; Wang, L. L.; Zhu, L. P.; Wang, L. J.; Liao, G. H.

2018-01-01

ZnO hexagonal bilayer disk-like microstructures are successfully fabricated using a simple solvothermal method assisted with surfactant. The structure and morphology were investigated by XRD, SEM, and EDS. XRD result indicated that the as-obtained samples were well-crystallized wurtzite hexagonal ZnO structure. SEM images showed that the ZnO hexagonal bilayer disk-like assembles consist of two uniform and smooth disks with an average edge length of 6 μm and thickness of ˜4 μm. UV-vis spectrum reveals that ZnO sampls show an appreciable red shift and the band gap energy of the obtained ZnO samples were about 3.15 eV. A very strong UV emission at the ultraviolet (UV) region was observed in the photoluminescence (PL) spectrum of the as-prepared ZnO samples tested at room-temperature. A possible growth process of the ZnO hexagonal bilayer disk-like microstructures was schematically illustrated.

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.

Intrinsic ferromagnetism in hexagonal boron nitride nanosheets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Si, M. S.; Gao, Daqiang, E-mail: gaodq@lzu.edu.cn, E-mail: xueds@lzu.edu.cn; Yang, Dezheng

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 demonstratemore » 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.« less

Algebraic signal processing theory: 2-D spatial hexagonal lattice.

PubMed

Pünschel, Markus; Rötteler, Martin

2007-06-01

We develop the framework for signal processing on a spatial, or undirected, 2-D hexagonal lattice for both an infinite and a finite array of signal samples. This framework includes the proper notions of z-transform, boundary conditions, filtering or convolution, spectrum, frequency response, and Fourier transform. In the finite case, the Fourier transform is called discrete triangle transform. Like the hexagonal lattice, this transform is nonseparable. The derivation of the framework makes it a natural extension of the algebraic signal processing theory that we recently introduced. Namely, we construct the proper signal models, given by polynomial algebras, bottom-up from a suitable definition of hexagonal space shifts using a procedure provided by the algebraic theory. These signal models, in turn, then provide all the basic signal processing concepts. The framework developed in this paper is related to Mersereau's early work on hexagonal lattices in the same way as the discrete cosine and sine transforms are related to the discrete Fourier transform-a fact that will be made rigorous in this paper.

Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks

PubMed Central

Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung; Jang, Bo-Gyu; Kim, Joo-Youn; Jin, Gangtae; Lee, Donghun; Ahn, Ji-Hoon; Lee, Myoung-Jae; Shim, Ji Hoon; Choi, Hyunyong; Jo, Moon-Ho

2015-01-01

Two-dimensional stacks of dissimilar hexagonal monolayers exhibit unusual electronic, photonic and photovoltaic responses that arise from substantial interlayer excitations. Interband excitation phenomena in individual hexagonal monolayer occur in states at band edges (valleys) in the hexagonal momentum space; therefore, low-energy interlayer excitation in the hexagonal monolayer stacks can be directed by the two-dimensional rotational degree of each monolayer crystal. However, this rotation-dependent excitation is largely unknown, due to lack in control over the relative monolayer rotations, thereby leading to momentum-mismatched interlayer excitations. Here, we report that light absorption and emission in MoS2/WS2 monolayer stacks can be tunable from indirect- to direct-gap transitions in both spectral and dynamic characteristics, when the constituent monolayer crystals are coherently stacked without in-plane rotation misfit. Our study suggests that the interlayer rotational attributes determine tunable interlayer excitation as a new set of basis for investigating optical phenomena in a two-dimensional hexagonal monolayer system. PMID:26099952

IMPROVED TYPE OF FUEL ELEMENT

DOEpatents

Monson, H.O.

1961-01-24

A radiator-type fuel block assembly is described. It has a hexagonal body of neutron fissionable material having a plurality of longitudinal equal- spaced coolant channels therein aligned in rows parallel to each face of the hexagonal body. Each of these coolant channels is hexagonally shaped with the corners rounded and enlarged and the assembly has a maximum temperature isothermal line around each channel which is approximately straight and equidistant between adjacent channels.

Adiabatic demagnetization of the antiferromagnetic spin-1/2 Heisenberg hexagonal cluster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deb, Moumita, E-mail: moumitadeb44@gmail.com; Ghosh, Asim Kumar, E-mail: asimkumar96@yahoo.com

2016-05-23

Exact analytic expressions of eigenvalues of the antiferromagnetic spin-1/2 Heisenberg hexagon in the presence of uniform magnetic field have been obtained. Magnetization process, nature of isentrops and properties of magneto caloric effect in terms of adiabatic demagnetization have been investigated. Theoretical results have been used to study the magneto caloric effect of the spin-1/2 Heisenberg hexagonal compound Cu{sub 3}WO{sub 6}.

Selective MBE growth of hexagonal networks of trapezoidal and triangular GaAs nanowires on patterned (1 1 1)B substrates

NASA Astrophysics Data System (ADS)

Tamai, Isao; Hasegawa, Hideki

2007-04-01

As a combination of novel hardware architecture and novel system architecture for future ultrahigh-density III-V nanodevice LSIs, the authors' group has recently proposed a hexagonal binary decision diagram (BDD) quantum circuit approach where gate-controlled path switching BDD node devices for a single or few electrons are laid out on a hexagonal nanowire network to realize a logic function. In this paper, attempts are made to establish a method to grow highly dense hexagonal nanowire networks for future BDD circuits by selective molecular beam epitaxy (MBE) on (1 1 1)B substrates. The (1 1 1)B orientation is suitable for BDD architecture because of the basic three-fold symmetry of the BDD node device. The growth experiments showed complex evolution of the cross-sectional structures, and it was explained in terms of kinetics determining facet boundaries. Straight arrays of triangular nanowires with 60 nm base width as well as hexagonal arrays of trapezoidal nanowires with a node density of 7.5×10 6 cm -2 were successfully grown with the aid of computer simulation. The result shows feasibility of growing high-density hexagonal networks of GaAs nanowires with precise control of the shape and size.

Effect of reductant and PVP on morphology and magnetic property of ultrafine Ni powders prepared via hydrothermal route

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jun, E-mail: j-zhang@126.com; Wang, Xiucai; Li, Lili

2013-10-15

Graphical abstract: The ultrafine Ni powders with the shapes including sphere, pearl-string, leaf, fish-bone, hexagonal sheet and silknet were prepared through one-step hydrothermal reduction using different reductants. Their saturation magnetization, remanent magnetization and coercivity sequentially increase, and the coercivity of hexagonal sheet-like Ni powders increases by 25% compared with the Ni bulk counterpart. - Highlights: • The ultrafine Ni powders with various shapes of sphere, fish-bone, hexagonal sheet, etc. • Facile and one-step hydrothermal reduction using three reductants and PVP additive was developed. • Magnetic properties of the ultrafine Ni powders with different shapes were measured. • Compared with bulkmore » Ni material, coercivity of hexagonal sheet Ni increases by 25%. • The formation mechanism of the shapes was suggested. - Abstract: The ultrafine nickel particles with different shapes including sphere, pearl-string, leaf, fish-bone, hexagonal sheet and silknet were prepared through one-step hydrothermal reduction using hydrazine hydrate, sodium hypophosphite and ethylene glycol as reductants, polyvinylpyrrolidone as structure-directing agent. It has been verified with the characterization of X-ray powder diffraction and transmission/scanning electronic microscopy that as-prepared products belong to face-centered cubic structure of nickel microcrystals with high purity and fine dispersity. The magnetic hysteresis loops measured at room temperature reveal that the values of saturation magnetization, remanent magnetization and coercivity rise sequentially from silknet, sphere to hexagonal sheet. In comparison with nickel bulk counterpart, the coercivity of the hexagonal sheet nickel powders increases by 25%.« less

Quasi-random array imaging collimator

DOEpatents

Fenimore, E.E.

1980-08-20

A hexagonally shaped quasi-random no-two-holes-touching imaging collimator. The quasi-random array imaging collimator eliminates contamination from small angle off-axis rays by using a no-two-holes-touching pattern which simultaneously provides for a self-supporting array increasing throughput by elimination of a substrate. The present invention also provides maximum throughput using hexagonally shaped holes in a hexagonal lattice pattern for diffraction limited applications. Mosaicking is also disclosed for reducing fabrication effort.

Random array grid collimator

DOEpatents

Fenimore, E.E.

1980-08-22

A hexagonally shaped quasi-random no-two-holes touching grid collimator. The quasi-random array grid collimator eliminates contamination from small angle off-axis rays by using a no-two-holes-touching pattern which simultaneously provides for a self-supporting array increasng throughput by elimination of a substrate. The presentation invention also provides maximum throughput using hexagonally shaped holes in a hexagonal lattice pattern for diffraction limited applications. Mosaicking is also disclosed for reducing fabrication effort.

Surface charge conductivity of a topological insulator in a magnetic field: The effect of hexagonal warping

NASA Astrophysics Data System (ADS)

Akzyanov, R. S.; Rakhmanov, A. L.

2018-02-01

We investigate the influence of hexagonal warping on the transport properties of topological insulators. We study the charge conductivity within Kubo formalism in the first Born approximation using low-energy expansion of the Hamiltonian near the Dirac point. The effects of disorder, magnetic field, and chemical-potential value are analyzed in detail. We find that the presence of hexagonal warping significantly affects the conductivity of the topological insulator. In particular, it gives rise to the growth of the longitudinal conductivity with the increase of the disorder and anisotropic anomalous in-plane magnetoresistance. Hexagonal warping also affects the quantum anomalous Hall effect and anomalous out-of-plane magnetoresistance. The obtained results are consistent with the experimental data.

Multilayer DNA origami packed on hexagonal and hybrid lattices.

PubMed

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

2012-01-25

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

Nb5+-Doped SrCoO3-δ Perovskites as Potential Cathodes for Solid-Oxide Fuel Cells.

PubMed

Cascos, Vanessa; Alonso, José Antonio; Fernández-Díaz, María Teresa

2016-07-15

SrCoO 3- δ outperforms as cathode material in solid-oxide fuel cells (SOFC) when the three-dimensional (3C-type) perovskite structure is stabilized by the inclusion of highly-charged transition-metal ions at the octahedral positions. In a previous work we studied the Nb incorporation at the Co positions in the SrCo 1- x Nb x O 3- δ system, in which the stabilization of a tetragonal P4 / mmm perovskite superstructure was described for the x = 0.05 composition. In the present study we extend this investigation to the x = 0.10-0.15 range, also observing the formation of the tetragonal P4 / mmm structure instead of the unwanted hexagonal phase corresponding to the 2H polytype. We also investigated the effect of Nb 5+ doping on the thermal, electrical, and electrochemical properties of SrCo 1- x Nb x O 3- δ ( x = 0.1 and 0.15) perovskite oxides performing as cathodes in SOFC. In comparison with the undoped hexagonal SrCoO 3- δ phase, the resulting compounds present high thermal stability and an increase of the electrical conductivity. The single-cell tests for these compositions ( x = 0.10 and 0.15) with La 0.8 Sr 0.2 Ga 0.83 Mg 0.17 O 3- δ (LSGM) as electrolyte and SrMo 0.8 Fe 0.2 CoO 3- δ as anode gave maximum power densities of 693 and 550 mW∙cm -2 at 850 °C respectively, using pure H₂ as fuel and air as oxidant.

Tetrahedral Arrangements of Perylene Bisimide Columns via Supramolecular Orientational Memory.

PubMed

Sahoo, Dipankar; Peterca, Mihai; Aqad, Emad; Partridge, Benjamin E; Heiney, Paul A; Graf, Robert; Spiess, Hans W; Zeng, Xiangbing; Percec, Virgil

2017-01-24

Chiral, shape, and liquid crystalline memory effects are well-known to produce commercial macroscopic materials with important applications as springs, sensors, displays, and memory devices. A supramolecular orientational memory effect that provides complex nanoscale arrangements was only recently reported. This supramolecular orientational memory was demonstrated to preserve the molecular orientation and packing within supramolecular units of a self-assembling cyclotriveratrylene crown at the nanoscale upon transition between its columnar hexagonal and Pm3̅n cubic periodic arrays. Here we report the discovery of supramolecular orientational memory in a dendronized perylene bisimide (G2-PBI) that self-assembles into tetrameric crowns and subsequently self-organizes into supramolecular columns and spheres. This supramolecular orientation memory upon transition between columnar hexagonal and body-centered cubic (BCC) mesophases preserves the 3-fold cubic [111] orientations rather than the 4-fold [100] axes, generating an unusual tetrahedral arrangement of supramolecular columns. These results indicate that the supramolecular orientational memory concept may be general for periodic arrays of self-assembling dendrons and dendrimers as well as for other periodic and quasiperiodic nanoscale organizations comprising supramolecular spheres, generated from other organized complex soft matter including block copolymers and surfactants.

Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.

PubMed

Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T S Andy

2015-07-20

The use of simple self-assembly methods to direct or engineer porosity or channels of desirable functionality is a major challenge in the field of metal-organic frameworks. We herein report a series of frameworks by modifying square ring structure of [{Cu2(5-dmpy)2(L1)2(H2O)(MeOH)}2{ClO4}4]·4MeOH (1·4MeOH, 5-dmpy = 5,5'-dimethyl-2,2'-bipyridine, HL1 = 4-pyridinecarboxylic acid). Use of pyridyl carboxylates as directional spacers in bipyridyl chelated Cu(II) system led to the growth of square unit into other configurations, namely, square ring, square chain, and square tunnel. Another remarkable characteristic is that the novel use of two isomers of pyridinyl-acrylic acid directs selectively to two different extreme tubular forms-aligned stacking of discrete hexagonal rings and crack-free one-dimensional continuum polymers. This provides a unique example of two extreme forms of copper nanotubes from two isomeric spacers. All of the reactions are performed in a one-pot self-assembly process at room temperature, while the topological selectivity is exclusively determined by the skeletal characteristics of the spacers.

Evidence for W=0 pairing in repulsive Hubbard square and hexagonal geometries

NASA Astrophysics Data System (ADS)

Perfetto, Enrico; Stefanucci, Gianluca; Callegari, Agnese; Cini, Michele

2004-08-01

Square and hexagonal lattices with purely repulsive on-site interactions on all sites and appropriate fillings show W=0 pairing, and the effective attractive interaction is due to a symmetry driven correlation effect; the W=0 pairs are two-body singlet eigenstates of the Hamiltonian with vanishing on-site repulsion. We can set up gedanken experiments with these bound pairs. Chains of CuO 4 units connected by weak links provide a test case which displays bound pair hopping and superconducting flux quantization (SFQ). Focusing on the low-energy sector, one obtains an accurate description in terms of an effective hard-core boson Hamiltonian which naturally describes itinerant pairs and SFQ in mesoscopic rings. For the numerical calculations, we take advantage of a recently proposed exact spin-disentangled diagonalization technique which can be generally applied to many-fermion problems and drastically reduces the size of the matrices to be handled. Remarkably, the very same pairing mechanism also works neatly with the wrapped honeycomb lattice, suitable for armchair carbon nanotubes; the binding energy of W=0 pairs depends strongly on the filling and decreases towards a small but non-zero value in the graphite limit.

MODFLOW–USG version 1: An unstructured grid version of MODFLOW for simulating groundwater flow and tightly coupled processes using a control volume finite-difference formulation

USGS Publications Warehouse

Panday, Sorab; Langevin, Christian D.; Niswonger, Richard G.; Ibaraki, Motomu; Hughes, Joseph D.

2013-01-01

A new version of MODFLOW, called MODFLOW–USG (for UnStructured Grid), was developed to support a wide variety of structured and unstructured grid types, including nested grids and grids based on prismatic triangles, rectangles, hexagons, and other cell shapes. Flexibility in grid design can be used to focus resolution along rivers and around wells, for example, or to subdiscretize individual layers to better represent hydrostratigraphic units. MODFLOW–USG is based on an underlying control volume finite difference (CVFD) formulation in which a cell can be connected to an arbitrary number of adjacent cells. To improve accuracy of the CVFD formulation for irregular grid-cell geometries or nested grids, a generalized Ghost Node Correction (GNC) Package was developed, which uses interpolated heads in the flow calculation between adjacent connected cells. MODFLOW–USG includes a Groundwater Flow (GWF) Process, based on the GWF Process in MODFLOW–2005, as well as a new Connected Linear Network (CLN) Process to simulate the effects of multi-node wells, karst conduits, and tile drains, for example. The CLN Process is tightly coupled with the GWF Process in that the equations from both processes are formulated into one matrix equation and solved simultaneously. This robustness results from using an unstructured grid with unstructured matrix storage and solution schemes. MODFLOW–USG also contains an optional Newton-Raphson formulation, based on the formulation in MODFLOW–NWT, for improving solution convergence and avoiding problems with the drying and rewetting of cells. Because the existing MODFLOW solvers were developed for structured and symmetric matrices, they were replaced with a new Sparse Matrix Solver (SMS) Package developed specifically for MODFLOW–USG. The SMS Package provides several methods for resolving nonlinearities and multiple symmetric and asymmetric linear solution schemes to solve the matrix arising from the flow equations and the Newton-Raphson formulation, respectively.

The auxetic behavior of an expanded periodic cellular structure

NASA Astrophysics Data System (ADS)

Ciolan, Mihaela A.; Lache, Simona; Velea, Marian N.

2018-02-01

Within nowadays research, when it comes to lightweight sandwich panels, periodic cellular structures are considered real trendsetters. One of the most used type of core in producing sandwich panels is the honeycomb. However, due to its relatively high manufacturing cost, this structure has limited applications; therefore, research has been carried out in order to develop alternative solutions. An example in this sense is the ExpaAsym cellular structure, developed at the Transilvania University of Braşov; it represents a periodic cellular structure manufactured through a mechanically expansion process of a previously cut and perforated sheet material. The relative density of the structure was proven to be significantly lower than the one of the honeycomb. This gives a great advantage to the structure, due to the fact that when the internal angle A of the unit cell is 60°, after the mechanical expansion it results a hexagonal structure. The main objective of this paper is to estimate the in-plane Poisson ratios of the structure, in terms of its geometrical parameters. It is therefore analytically shown that for certain values of the geometric parameters, the in-plane Poisson ratios have negative values when the internal angle exceeds 90°, which determines its auxetic behavior.

Temperature Profile in Fuel and Tie-Tubes for Nuclear Thermal Propulsion Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vishal Patel

A finite element method to calculate temperature profiles in heterogeneous geometries of tie-tube moderated LEU nuclear thermal propulsion systems and HEU designs with tie-tubes is developed and implemented in MATLAB. This new method is compared to previous methods to demonstrate shortcomings in those methods. Typical methods to analyze peak fuel centerline temperature in hexagonal geometries rely on spatial homogenization to derive an analytical expression. These methods are not applicable to cores with tie-tube elements because conduction to tie-tubes cannot be accurately modeled with the homogenized models. The fuel centerline temperature directly impacts safety and performance so it must be predictedmore » carefully. The temperature profile in tie-tubes is also important when high temperatures are expected in the fuel because conduction to the tie-tubes may cause melting in tie-tubes, which may set maximum allowable performance. Estimations of maximum tie-tube temperature can be found from equivalent tube methods, however this method tends to be approximate and overly conservative. A finite element model of heat conduction on a unit cell can model spatial dependence and non-linear conductivity for fuel and tie-tube systems allowing for higher design fidelity of Nuclear Thermal Propulsion.« less

Effect of Mn and Ti substitution on the reflection loss characteristic of Ba{sub 0.6}Sr{sub 0.4}Fe{sub 11-z}MnTi{sub z}O{sub 19} (z = 0, 1, 2 and 3)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gunanto, Y. E., E-mail: yohanes.gunanto@uph.edu; Cahyadi, L., E-mail: lina.cahyadi@uph.edu; Adi, W. Ari, E-mail: dwisnuaa@batan.go.id

2016-04-19

The synthesis and characterization of composition Ba{sub 0.6}Sr{sub 0.4}Fe{sub 11-z}MnTi{sub z}O{sub 19} (z = 0; 1; 2 and 3) compound by solid state reaction using mechanical milling have been performed. The raw materials were BaCO{sub 3}, SrCO{sub 3}, Fe{sub 2}O{sub 3}, MnCO{sub 3}, and TiO{sub 2}. The mixed powder was compacted and sintered at 1000°C for 5 hours. X-ray diffraction studies indicate expansion of hexagonal unit cell and compression of atomic density with substitution of Mn{sup 2+} and Ti{sup 4+} ions. Effect of substitution upon magnetic properties revealed that total magnetization, remanence, and coercivity changed with substitution due to preferentialmore » site occupancy of substituted Mn{sup 2+} and Ti{sup 4+} ions. Since the coercivity and total magnetization may be controlled by substitution while maintaining resistive properties, this material is useful for microwave absorber.« less

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

DOE PAGES

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra; ...

2017-08-24

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

One-atom-layer 4×4 compound in (Tl, Pb)/Si(111) system

NASA Astrophysics Data System (ADS)

Mihalyuk, A. N.; Hsing, C. R.; Wei, C. M.; Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Zotov, A. V.; Saranin, A. A.

2017-03-01

An ordered 4×4-periodicity 2D compound has been found in the (Tl, Pb)/Si(111) system and its composition, structure and electronic properties have been characterized using low-energy electron diffraction, scanning tunneling microscopy observations and density-functional-theory calculations. The compound has been concluded to contain 9 Tl atoms and 12 Pb atoms per 4×4 unit cell, i.e., 0.56 ML of Tl and 0.75 ML of Pb. Structural model was proposed for the 4×4-(Tl, Pb) compound where building blocks are a hexagonal array of 12 Pb atoms, a triangular array of 6 Tl atoms and a Tl trimer. The proposed structure has a C3 symmetry and occurs in the two equivalent orientations. The electron band structure of the compound contains two metallic spin-split surface-state bands. Bearing in mind the advanced properties of the known √{ 3 } ×√{ 3 } 2D compound in the same (Tl, Pb)/Si(111) system (i.e., combination of giant Rashba effect and superconductivity), the found 4×4-(Tl, Pb) compound is believed to be a promising object for exploration of its superconductive properties.

Stability of skyrmion lattices and symmetries of quasi-two-dimensional chiral magnets

DOE PAGES

Gungordu, Utkan; Nepal, Rabindra; Tretiakov, Oleg A.; ...

2016-02-24

Recently there has been substantial interest in realizations of skyrmions, in particular in quasi-two-dimensional (2D) systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic texture, could be an ideal element for ultradense magnetic memories. Here we use the most general form of the quasi-2D free energy with Dzyaloshinskii-Moriya interactions constructed from general symmetry considerations reflecting the underlying system. We predict that the skyrmion phase is robust and it is present even when the system lacks the in-plane rotational symmetry. In fact, the lowered symmetry leads to increased stability of vortex-antivortex lattices withmore » fourfold symmetry and in-plane spirals, in some instances even in the absence of an external magnetic field. Our results relate different hexagonal and square cell phases to the symmetries of materials used for realizations of skyrmions. This will give clear directions for experimental realizations of hexagonal and square cell phases, and will allow engineering of skyrmions with unusual properties. We also predict striking differences in gyrodynamics induced by spin currents for isolated skyrmions and for crystals where spin currents can be induced by charge carriers or by thermal magnons. As a result, we find that under certain conditions, isolated skyrmions can move along the current without a side motion which can have implications for realizations of magnetic memories.« less

Density-functional studies of tungsten trioxide, tungsten bronzes, and related systems

NASA Astrophysics Data System (ADS)

Ingham, B.; Hendy, S. C.; Chong, S. V.; Tallon, J. L.

2005-08-01

Tungsten trioxide adopts a variety of structures which can be intercalated with charged species to alter the electronic properties, thus forming “tungsten bronzes.” Similar effects are observed upon removing oxygen from WO3 . We present a computational study of cubic and hexagonal alkali bronzes and examine the effects on cell size and band structure as the size of the intercalated ion is increased. With the exception of hydrogen (which is predicted to be unstable as an intercalate), the behavior of the bronzes are relatively consistent. NaWO3 is the most stable of the cubic systems, although in the hexagonal system the larger ions are more stable. The band structures are identical, with the intercalated atom donating its single electron to the tungsten 5d valence band. A study of fractional doping in the NaxWO3 system (0⩽x⩽1) showed a linear variation in cell parameter and a systematic shift in the Fermi level into the conduction band. In the oxygen-deficient WO3-x system the Fermi level undergoes a sudden jump into the conduction band at around x=0.2 . Lastly, three compounds of a layered WO4•α,ω -diaminoalkane hybrid series were studied and found to be insulating, with features in the band structure similar to those of the parent WO3 compound that relate well to experimental UV-visible spectroscopy results.

Combining Topological Hardware and Topological Software: Color-Code Quantum Computing with Topological Superconductor Networks

NASA Astrophysics Data System (ADS)

Litinski, Daniel; Kesselring, Markus S.; Eisert, Jens; von Oppen, Felix

2017-07-01

We present a scalable architecture for fault-tolerant topological quantum computation using networks of voltage-controlled Majorana Cooper pair boxes and topological color codes for error correction. Color codes have a set of transversal gates which coincides with the set of topologically protected gates in Majorana-based systems, namely, the Clifford gates. In this way, we establish color codes as providing a natural setting in which advantages offered by topological hardware can be combined with those arising from topological error-correcting software for full-fledged fault-tolerant quantum computing. We provide a complete description of our architecture, including the underlying physical ingredients. We start by showing that in topological superconductor networks, hexagonal cells can be employed to serve as physical qubits for universal quantum computation, and we present protocols for realizing topologically protected Clifford gates. These hexagonal-cell qubits allow for a direct implementation of open-boundary color codes with ancilla-free syndrome read-out and logical T gates via magic-state distillation. For concreteness, we describe how the necessary operations can be implemented using networks of Majorana Cooper pair boxes, and we give a feasibility estimate for error correction in this architecture. Our approach is motivated by nanowire-based networks of topological superconductors, but it could also be realized in alternative settings such as quantum-Hall-superconductor hybrids.

Structure and morphology of magnetite anaerobically-produced by a marine magnetotactic bacterium and a dissimilatory iron-reducing bacterium

USGS Publications Warehouse

Sparks, N.H.C.; Mann, S.; Bazylinski, D.A.; Lovley, D.R.; Jannasch, H.W.; Frankel, R.B.

1990-01-01

Intracellular crystals of magnetite synthesized by cells of the magnetotactic vibroid organism, MV-1, and extracellular crystals of magnetite produced by the non-magnetotactic dissimilatory iron-reducing bacterium strain GS-15, were examined using high-resolution transmission electron microscopy, electron diffraction and 57Fe Mo??ssbauer spectroscopy. The magnetotactic bacterium contained a single chain of approximately 10 crystals aligned along the long axis of the cell. The crystals were essentially pure stoichiometric magnetite. When viewed along the crystal long axis the particles had a hexagonal cross-section whereas side-on they appeared as rectangules or truncated rectangles of average dimension, 53 ?? 35 nm. These findings are explained in terms of a three-dimensional morphology comprising a hexagonal prism of {110} faces which are capped and truncated by {111} end faces. Electron diffraction and lattice imaging studies indicated that the particles were structurally well-defined single crystals. In contrast, magnetite particles produced by the strain, GS-15 were irregular in shape and had smaller mean dimensions (14 nm). Single crystals were imaged but these were not of high structural perfection. These results highlight the influence of intracellular control on the crystallochemical specificity of bacterial magnetites. The characterization of these crystals is important in aiding the identification of biogenic magnetic materials in paleomagnetism and in studies of sediment magnetization. ?? 1990.

Thermal Expansion of Fluorapatite-Chlorapatite Solid Solutions

NASA Astrophysics Data System (ADS)

Hovis, G. L.; Abraham, T.; Hudacek, W.; Wildermuth, S.; Scott, B.; Altomare, C.; Medford, A.; Conlon, M.; Morris, M.; Leaman, A.; Almer, C.; Tomaino, G.; Harlov, D. E.

2014-12-01

X-ray powder diffraction experiments have been performed on fifteen fluorapatite-chlorapatite solid solutions synthesized and chemically characterized at the GeoForschungsZentrum - Potsdam (Hovis and Harlov, 2010; Schettler, Gottschalk, and Harlov, 2011), as well as two natural near-end-member samples, from room temperature to ~900 °C at 50 to 75 °C intervals. NIST 640a Si was employed as an internal standard; data from Parrish (1953) were used to determine Si peak positions at elevated temperatures. Unit-cell parameters calculated using the software of Holland and Redfern (1997) result in volume-temperature (V-T) plots that are linear or slightly concave up (V plotted as the vertical axis) over the T range investigated. Relations for the "a" and "c" unit-cell dimensions with T for these hexagonal minerals are nearly linear but, as with V, commonly improved by quadratic fits to the data. Coefficients of thermal expansion for volume (αV), calculated as (1/V0°C) x (ΔV/ΔT) based on linear V-T relationships, mostly fall within the range 42 ± 2 x 10-6 deg-1 and show no obvious dependence on composition. Thermal expansion coefficients for individual unit-cell axes, however, do show clear relationships to composition, αa increasing from ~9.5 to ~13.5 x 10-6 deg-1 and αc decreasing from ~19.5 to ~13 x 10-6 deg-1 from the Cl to the F end member. Clearly, a compensating structural relationship accounts for the observed relationships. Such compositional dependence was not seen in the thermal expansion data for F-OH apatite solid solutions (Hovis, Scott, Altomare, Leaman, Morris, and Tomaino, American Mineralogist, in press). This difference can be explained by the similar sizes of F- and (OH)- versus the much greater size contrast between F- and Cl-. Sincere thanks to the National Science Foundation for support of this work, which has provided numerous research experiences for Lafayette College undergraduates. Thanks also to the Earth Sciences Department, University of Cambridge, for providing X-ray facilities for a portion of these measurements. Finally, thanks to Jeff Post, National Museum of Natural History, and George Harlow, American Museum of Natural History, for providing the natural fluorapatite (NMNH 144954-3, Durango, Mexico) and chlorapatite (AMNH 23101, Kragero, Norway) samples, respectively.

Thermal Expansion of Fluorapatite-Chlorapatite Solid Solutions

NASA Astrophysics Data System (ADS)

Hovis, Guy; Abraham, Tony; Hudacek, William; Wildermuth, Sarah; Scott, Brian; Altomare, Caitlin; Medford, Aaron; Conlon, Maricate; Morris, Matthew; Leaman, Amanda; Almer, Christine; Tomaino, Gary; Harlov, Daniel

2015-04-01

X-ray powder diffraction experiments have been performed on fifteen fluorapatite-chlorapatite solid solutions synthesized and chemically characterized at the GeoForschungsZentrum - Potsdam (Hovis and Harlov, 2010; Schettler, Gottschalk, and Harlov, 2011), as well as two natural near-end-member samples, from room temperature to ~900 °C at 50 to 75 °C intervals. NIST 640a Si was employed as an internal standard; data from Parrish (1953) were used to determine Si peak positions at elevated temperatures. Unit-cell parameters calculated using the software of Holland and Redfern (1997) result in volume-temperature (V-T) plots that are linear or slightly concave up (V plotted as the vertical axis) over the T range investigated. Relations for the "a" and "c" unit-cell dimensions with T for these hexagonal minerals are nearly linear, but as with V, commonly improved by quadratic fits to the data. Coefficients of thermal expansion for volume (αV ), calculated as (1/V0°C) x (ΔV/ΔT) based on linear V-T relationships, mostly fall within the range 42 ± 2 x 10-6 deg-1 and show no obvious dependence on composition. Thermal expansion coefficients for individual unit-cell axes, however, do show clear relationships to composition, αa increasing from ~9.5 to ~13.5 x 10-6 deg-1 and αc decreasing from ~19.5 to ~13 x 10-6 deg-1 from the Cl to the F end member. Clearly, a compensating structural relationship accounts for the observed relationships. Such compositional dependence was not seen in the thermal expansion data for F-OH apatite solid solutions (Hovis, Scott, Altomare, Leaman, Morris, and Tomaino, American Mineralogist, in press). This difference can be explained by the similar sizes of F- and (OH)- versus the much greater size contrast between F- and Cl-. Sincere thanks to the National Science Foundation for support of this work, which has provided numerous research experiences for Lafayette College undergraduates. Thanks also to the Earth Sciences Department, University of Cambridge, for providing X-ray facilities for a portion of these measurements. Finally, thanks to Jeff Post, National Museum of Natural History, and George Harlow, American Museum of Natural History, for providing the natural fluorapatite (NMNH 144954-3, Durango, Mexico) and chlorapatite (AMNH 23101, Kragero, Norway) samples, respectively.

Solar granulation and statistical crystallography: A modeling approach using size-shape relations

NASA Technical Reports Server (NTRS)

Noever, D. A.

1994-01-01

The irregular polygonal pattern of solar granulation is analyzed for size-shape relations using statistical crystallography. In contrast to previous work which has assumed perfectly hexagonal patterns for granulation, more realistic accounting of cell (granule) shapes reveals a broader basis for quantitative analysis. Several features emerge as noteworthy: (1) a linear correlation between number of cell-sides and neighboring shapes (called Aboav-Weaire's law); (2) a linear correlation between both average cell area and perimeter and the number of cell-sides (called Lewis's law and a perimeter law, respectively) and (3) a linear correlation between cell area and squared perimeter (called convolution index). This statistical picture of granulation is consistent with a finding of no correlation in cell shapes beyond nearest neighbors. A comparative calculation between existing model predictions taken from luminosity data and the present analysis shows substantial agreements for cell-size distributions. A model for understanding grain lifetimes is proposed which links convective times to cell shape using crystallographic results.

Graded bandgap perovskite solar cells.

PubMed

Ergen, Onur; Gilbert, S Matt; Pham, Thang; Turner, Sally J; Tan, Mark Tian Zhi; Worsley, Marcus A; Zettl, Alex

2017-05-01

Organic-inorganic halide perovskite materials have emerged as attractive alternatives to conventional solar cell building blocks. Their high light absorption coefficients and long diffusion lengths suggest high power conversion efficiencies, and indeed perovskite-based single bandgap and tandem solar cell designs have yielded impressive performances. One approach to further enhance solar spectrum utilization is the graded bandgap, but this has not been previously achieved for perovskites. In this study, we demonstrate graded bandgap perovskite solar cells with steady-state conversion efficiencies averaging 18.4%, with a best of 21.7%, all without reflective coatings. An analysis of the experimental data yields high fill factors of ∼75% and high short-circuit current densities up to 42.1 mA cm -2 . The cells are based on an architecture of two perovskite layers (CH 3 NH 3 SnI 3 and CH 3 NH 3 PbI 3-x Br x ), incorporating GaN, monolayer hexagonal boron nitride, and graphene aerogel.

Manifestations of Kitaev physics in thermodynamic properties of hexagonal iridates and α-RuCl3

NASA Astrophysics Data System (ADS)

Tsirlin, Alexander

Kitaev model is hard to achieve in real materials. Best candidates available so far are hexagonal iridates M2IrO3 (M = Li and Na) and the recently discovered α-RuCl3 featuring hexagonal layers coupled by weak van der Waals bonding. I will review recent progress in crystal growth of these materials and compare their thermodynamic properties. Both hexagonal iridates and α-RuCl3 feature highly anisotropic Curie-Weiss temperatures that not only differ in magnitude but also change sign depending on the direction of the applied magnetic field. Néel temperatures are largely suppressed compared to the energy scale of the Curie-Weiss temperatures. These experimental observations will be linked to features of the electronic structure and to structural peculiarities associated with deviations from the ideal hexagonal symmetry. I will also discuss how the different nature of ligand atoms affects electronic structure and magnetic superexchange. This work has been done in collaboration with M. Majumder, M. Schmidt, M. Baenitz, F. Freund, and P. Gegenwart.

Hexagonal Hollow Tube Based Energy Absorbing Crash Buffers for Roadside Fixed Objects

NASA Astrophysics Data System (ADS)

Uddin, M. S.; Amirah Shafie, Nurul; Zivkovic, Grad

2017-03-01

The purpose of this study was to investigate the deformation of the energy absorbing hexagonal hollow tubes in a lateral compression. The aim is to design cost effective and high energy-absorbing buffer systems, which are capable of controlling out-of-control vehicles in high-speed zones. A nonlinear quasi-static finite element analysis was applied to determine the deformation and energy absorption capacity. The main parameters in the design were diameter and wall thickness of the tubes. Experimental test simulating the lateral compressive loading on a single tube was performed. Results show that as the diameter and the thickness increase, the deformation strength increases. Hexagonal tube with diameter of 219 mm and thickness of 4 mm is shown to have the highest energy absorption capability. Compared to existing cylindrical and octagonal shapes, the hexagonal tubes show the highest energy absorption capacity. Hexagonal tubes therefore can be regarded as a potential candidate for buffer designs in high speed zones. In addition, they would be compact, cost effective and facilitate ease of installation.

Preparation of novel layer-stack hexagonal CdO micro-rods by a pre-oxidation and subsequent evaporation process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Kun, E-mail: kpeng@hnu.edu.cn; Hunan Province Key Laboratory for Spray Deposition Technology and Application, Hunan University, Changsha 410082; Jiang, Pan

2014-12-15

Graphical abstract: Layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared. - Highlights: • Novel hexagonal layer-stack structure CdO micro-rods were synthesized by a thermal evaporation method. • The pre-oxidation, vapor pressure and substrate nature play a key role on the formation of CdO rods. • The formation mechanism of CdO micro-rods was explained. - Abstract: Novel layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared by pre-oxidizing Cd granules and subsequent thermal oxidation under normal atmospheric pressure. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were performed to characterize the phase structure and microstructure. The pre-oxidation process, vapor pressure and substratemore » nature were the key factors for the formation of CdO micro-rods. The diameter of micro-rod and surface rough increased with increasing of thermal evaporation temperature, the length of micro-rod increased with the increasing of evaporation time. The formation of hexagonal layer-stack structure was explained by a vapor–solid mechanism.« less

Epitaxial hexagonal materials on IBAD-textured substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matias, Vladimir; Yung, Christopher

2017-08-15

A multilayer structure including a hexagonal epitaxial layer, such as GaN or other group III-nitride (III-N) semiconductors, a <111> oriented textured layer, and a non-single crystal substrate, and methods for making the same. The textured layer has a crystalline alignment preferably formed by the ion-beam assisted deposition (IBAD) texturing process and can be biaxially aligned. The in-plane crystalline texture of the textured layer is sufficiently low to allow growth of high quality hexagonal material, but can still be significantly greater than the required in-plane crystalline texture of the hexagonal material. The IBAD process enables low-cost, large-area, flexible metal foil substratesmore » to be used as potential alternatives to single-crystal sapphire and silicon for manufacture of electronic devices, enabling scaled-up roll-to-roll, sheet-to-sheet, or similar fabrication processes to be used. The user is able to choose a substrate for its mechanical and thermal properties, such as how well its coefficient of thermal expansion matches that of the hexagonal epitaxial layer, while choosing a textured layer that more closely lattice matches that layer.« less

Loss of preload in screwed implant joints as a function of time and tightening/untightening sequences.

PubMed

Bernardes, Sérgio Rocha; da Gloria Chiarello de Mattos, Maria; Hobkirk, John; Ribeiro, Ricardo Faria

2014-01-01

The purpose of this study was to determine whether abutment screw tightening and untightening influenced loss of preload in three different implant/abutment interfaces, or on the implant body. Five custom-fabricated machined titanium implants were used, each with its respective abutment, with different connection types, retention screws, and torque values (external hexagon with titanium screw/32 Ncm, external hexagon with coated screw/32 Ncm, internal hexagon/20 Ncm and internal conical/20 and 32 Ncm). Each implant tested had two strain gauges attached and was submitted to five tightening/untightening sequences. External hexagons resulted in the lowest preload values generated in the implant cervical third (mean of 27.75 N), while the internal hexagon had the highest values (mean of 219.61 N). There was no immediate significant loss of preload after screw tightening. Tightening/untightening sequences, regardless of the implant/abutment interface design or type of screw used in the study, did not result in any significant loss of initial preload. Conical implant connections demonstrated greater structural reinforcement within the internal connections.

First-principles study of the structural properties of Ge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, K.J.; Cohen, M.L.

1986-12-15

With the use of an ab initio pseudopotential method, the structural properties of Ge are investigated at normal and high pressures. The pressure-induced structural phase transitions from cubic diamond to ..beta..-Sn, to simple hexagonal (sh), and to double hexagonal close packed (dhcp) are examined. With the possible exception of the dhcp structure, the calculated transition pressures, transition volumes, and axial ratios are in good agreement with experimental results. We find that sh Ge has characteristics similar to those of sh Si; the bonds between hexagonal layers are stronger than intralayer bonds and the transverse phonon modes become soft near themore » transitions from the sh to ..beta..-Sn and the sh to hcp structures. At normal pressures, we compare the crystal energies for the cubic diamond, hexagonal 2H, and hexagonal 4H structures. Because of the similar sp/sup 3/ bonds in these structures, the structural energy differences are less than about 14 meV, and the 2H and 4H phases are metastable with respect to the cubic diamond structure. The equation of state is also presented and compared with experiment.« less

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.

Optimization of reaction parameters in hydrothermal synthesis: a strategy towards the formation of CuS hexagonal plates

PubMed Central

2013-01-01

Background For decades, copper sulphide has been renowned as the superior optical and semiconductor materials. Its potential applications can be ranged from solar cells, lithium-ion batteries, sensors, and catalyst systems. The synthesis methodologies of copper sulphide with different controlled morphology have been widely explored in the literature. Nevertheless, the understanding on the formation chemistry of CuS is still limited. The ultimate approach undertaking in this article is to investigate the formation of CuS hexagonal plates via the optimization of reaction parameters in hydrothermal reaction between copper (II) nitrate and sodium thiosulphate without appending any assistant agent. Results Covellite (CuS) hexagonal plates were formed at copper ion: thiosulphate ion (Cu2+:S2O32−) mole ratio of 1:2 under hydrothermal treatment of 155°C for 12 hours. For synthesis conducted at reaction temperature lower than 155°C, copper sulphate (CuSO4), krohnite (NaCu2(SO4)(H2O)2] and cyclooctasulphur (S8) were present as main impurities with covellite (CuS). When Cu2+:S2O32− mole ratio was varied to 1: 1 and 1: 1.5, phase pure plate-like natrochalcite [NaCu2(SO4)(H2O)] and digenite (Cu9S5) were produced respectively. Meanwhile, mixed phases of covellite (CuS) and cyclooctasulphur (S8) were both identified when Cu2+:S2O32− mole ratio was varied to 1: 2.5, 1: 3 and 1: 5 as well as when reaction time was shortened to 1 hour. Conclusions CuS hexagonal plates with a mean edge length of 1 μm, thickness of 100 nm and average crystallite size of approximately (45 ± 2) nm (Scherrer estimation) were successfully synthesized via assisting agent- free hydrothermal method. Under a suitable Cu2+:S2O32− mole ratio, we evidenced that the formation of covellite (CuS) is feasible regardless of the reaction temperature applied. However, a series of impurities were attested with CuS if reaction temperature was not elevated high enough for the additional crystallite phase decomposition. It was also identified that Cu2+:S2O32− mole ratio plays a vital role in controlling the amount of cyclooctasulphur (S8) in the final powder obtained. Finally, reaction time was recognized as an important parameter in impurity decomposition as well as increasing the crystallite size and crystallinity of the CuS hexagonal plates formed. PMID:23575312

Method of manufacture of atomically thin boron nitride

DOEpatents

Zettl, Alexander K

2013-08-06

The present invention provides a method of fabricating at least one single layer hexagonal boron nitride (h-BN). In an exemplary embodiment, the method includes (1) suspending at least one multilayer boron nitride across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure. The present invention also provides a method of fabricating single layer hexagonal boron nitride. In an exemplary embodiment, the method includes (1) providing multilayer boron nitride suspended across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure.

Mars Orbiter Sample Return Power Design

NASA Technical Reports Server (NTRS)

Mardesich, N.; Dawson, S.

1999-01-01

The NASA/JPL 2003/2005 Mars Sample Return (MSR) Missions will each have a sample return canister that will be filled with samples cored from the surface of MARS. These spherical canisters will be 14.8 cm in diameter and must be powered only by solar cells on the surface and must communicate using RF transmission with the recovery vehicle that will be coming in 2006 or 2009 to retrieve the canister. This paper considers the aspect and conclusion that went into the design of the power system that achieves the maximum power with the minimum risk. The power output for the spherical orbiting canister was modeled and plotted in various views of the orbit by the SOAP program developed by JPL. The requirements and geometry for a solar array on a sphere are unique and place special constraints on the design. These requirements include 1) accommodating a lid for sample loading into the canister, surface area was restricted from use on the Northern pole of the spherical canister. 2) minimal cell surface coverage (maximum cell efficiency), less than 40%, for recovery vehicle to locate the canister by optical techniques. 3) a RF transmission during 50% of MARS orbit time on any spin axis, which requires optimum circuit placement of the solar cell onto the spherical canister. The best configuration would have been a 4.5 volt round cell, but in the real world we compromised with six triangular silicon cells connected in series to form a hexagon. These hexagon circuits would be mounted onto a flat facet cut into the spherical canister. The surface flats are required in order to maximize power, the surface of the cells connected in series must be at the same angle relative to the sun. The flat facets intersect each other to allow twelve circuits evenly spaced just North and twelve circuits South of the equator of the spherical canister. Connecting these circuits in parallel allows sufficient power to operate the transmitter at minimum solar exposure, Northern pole of the canister facing the sun. Additional power, as much as 20%, is also generated by the circuits facing MARS due to albedo of MARS.

[Effectivity and Safety of a Modified Tip Design in Torsional Phacoemulsification].

PubMed

Schmidt, Sabine; Hubich, Sophie; Vetter, Jan Markus; Wirbelauer, Christopher

2018-02-16

Torsional mode phacoemulsification results in more effective fragmentation of the nucleus due to a different movement of the phacotip. In this clinical study, we investigated the influence of a modified tip design and active fluidics on the efficacy of phacoemulsification and safety for the corneal endothelium. We conducted a prospective randomized 2 : 1 study in which 40 patients were operated on with the mini-flared Kelman Tip using the Infiniti ® System (group 1), and 20 patients were operated on with the Intrepid ® Balanced Tip and the Centurion ® System. We analyzed the intraoperative cumulative dissipated energy and also the density of the corneal endothelium measured with an endothelial microscope (CEM 530, Nidek) pre- and postoperatively. Both groups did not differ preoperatively in age, sex, axial length of the globe or corneal endothelium cell density nor cataract density (LOCS3). All surgeries were uneventful. The cumulative dissipated energy in group 1 (mini-flared Kelman tip, Infiniti System) was 38% higher than in group 2 (balanced tip, Centurion System; p < 0.05). The endothelial cell loss was 8% in group 1 and 10.3% in group 2 (p > 0.05). The cell size (polymegathism) increased in both groups significantly with + 37 µm in group 1 (p < 0.05) und + 54 µm in group 2 (p < 0.05). There was no statistically significant difference between both groups (p > 0.05). The number of hexagonal cells (pleomorphism) and corneal thickness did not differ in both groups either pre- nor postoperatively. Compared to torsional phacoemulsification with a mini-flared Kelman Tip and gravity fluidics, torsional phacoemulsification with a modified tip design and active fluidics is 38% more effective regarding the cumulative dissipated energy. Endothelial cell loss occurs to a similar extend using both systems. The postoperative changes in cell size (polymegathism), number of hexagonal cells (pleomorphism) and corneal thickness (pachymetry) were similar among both systems. We conclude, that the intraoperative stress on the endothelium is equivalent with both systems used. Georg Thieme Verlag KG Stuttgart · New York.

Structural and electronic stability of a volleyball-shaped B80 fullerene

NASA Astrophysics Data System (ADS)

Wang, Xiao-Qian

2010-10-01

We have studied the structural and electronic characteristics of a volleyball-shaped B80 cage using first-principles density-functional calculations. In contrast to the popularly ratified “magic” B80 buckyball with 20 hexagonal pyramids and 12 hollow pentagons, the volleyball-shaped B80 constitutes 12 pentagonal pyramids, 8 hexagonal pyramids, and 12 hollow hexagons. The B80 volleyball is markedly more stable than the previously assumed magic B80 buckyball, which is attributed to the improved aromaticity associated with the distinct configuration.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsipas, P.; Kassavetis, S.; Tsoutsou, D.

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.

Room-temperature synthesis and photoluminescence of hexagonal CePO4 nanorods

NASA Astrophysics Data System (ADS)

Zhu, J.; Zhang, K.; Zhao, H. Y.

2018-01-01

Hexagonal CePO4 nanorods were synthesized via a simple chemical precipitation route at room-temperature without the presence of surfactants and then characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray (EDX) spectrometry, scanning electron microscopy (SEM), transmission electron microscopy (TEM), ultraviolet-visible (UV-vis) absorption and photoluminescence (PL) spectroscopy. Hexagonal CePO4 nanorods exhibit strong ultraviolet absorption and ultraviolet luminescence, which correspond to the electronic transitions between 4f and 5d state of Ce3+ ions.

Hexagonally packed DNA within bacteriophage T7 stabilized by curvature stress.

PubMed Central

Odijk, T

1998-01-01

A continuum computation is proposed for the bending stress stabilizing DNA that is hexagonally packed within bacteriophage T7. Because the inner radius of the DNA spool is rather small, the stress of the curved DNA genome is strong enough to balance its electrostatic self-repulsion so as to form a stable hexagonal phase. The theory is in accord with the microscopically determined structure of bacteriophage T7 filled with DNA within the experimental margin of error. PMID:9726924

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.

A digital retina-like low-level vision processor.

PubMed

Mertoguno, S; Bourbakis, N G

2003-01-01

This correspondence presents the basic design and the simulation of a low level multilayer vision processor that emulates to some degree the functional behavior of a human retina. This retina-like multilayer processor is the lower part of an autonomous self-organized vision system, called Kydon, that could be used on visually impaired people with a damaged visual cerebral cortex. The Kydon vision system, however, is not presented in this paper. The retina-like processor consists of four major layers, where each of them is an array processor based on hexagonal, autonomous processing elements that perform a certain set of low level vision tasks, such as smoothing and light adaptation, edge detection, segmentation, line recognition and region-graph generation. At each layer, the array processor is a 2D array of k/spl times/m hexagonal identical autonomous cells that simultaneously execute certain low level vision tasks. Thus, the hardware design and the simulation at the transistor level of the processing elements (PEs) of the retina-like processor and its simulated functionality with illustrative examples are provided in this paper.

Synthesis, characterization and electrocatalytic properties of delafossite CuGaO2

NASA Astrophysics Data System (ADS)

Ahmed, Jahangeer; Mao, Yuanbing

2016-10-01

Delafossite CuGaO2 has been employed as photocatalysts for solar cells, but their electrocatalytic properties have not been extensively studied, especially no comparison among samples made by different synthesis routes. Herein, we first reported the successful synthesis of delafossite CuGaO2 particles with three different morphologies, i.e. nanocrystalline hexagons, sub-micron sized plates and micron-sized particles by a modified hydrothermal method at 190 °C for 60 h [1-3], a sono-chemical method followed by firing at 850 °C for 48 h, and a solid state route at 1150 °C, respectively. Morphology, composition and phase purity of the synthesized samples was confirmed by powder X-ray diffraction and Raman spectroscopic studies, and then their electrocatalytic performance as active and cost effective electrode materials to the oxygen and hydrogen evolution reactions in 0.5 M KOH electrolyte versus Ag/AgCl was investigated and compared under the same conditions for the first time. The nanocrystalline CuGaO2 hexagons show enhanced electrocatalytic activity than the counterpart sub-micron sized plates and micron-sized particles.

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

The atomic volume of rare earth metal Dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 K and 7 K in a diamond anvil cell using angle dispersive x-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (T N) that changes rapidly with increasing pressure. Our experimental measurementmore » shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature T N at all pressures up to 35 GPa.« less

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

DOE PAGES

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

2017-01-01

The atomic volume of rare earth metal Dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 K and 7 K in a diamond anvil cell using angle dispersive x-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (T N) that changes rapidly with increasing pressure. Our experimental measurementmore » shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature T N at all pressures up to 35 GPa.« less

Ultrathin TiO(x) films on Pt(111): a LEED, XPS, and STM investigation.

PubMed

Sedona, Francesco; Rizzi, Gian Andrea; Agnoli, Stefano; Llabrés i Xamena, Francesc X; Papageorgiou, Anthoula; Ostermann, Dieter; Sambi, Mauro; Finetti, Paola; Schierbaum, Klaus; Granozzi, Gaetano

2005-12-29

Ultrathin ordered titanium oxide films on Pt(111) surface are prepared by reactive evaporation of Ti in oxygen. By varying the Ti dose and the annealing conditions (i.e., temperature and oxygen pressure), six different long-range ordered phases are obtained. They are characterized by means of low-energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). By careful optimization of the preparative parameters, we find conditions where predominantly single phases of TiO(x), revealing distinct LEED pattern and STM images, are produced. XPS binding energy and photoelectron diffraction (XPD) data indicate that all the phases, except one (the stoichiometric rect-TiO2), are one monolayer thick and composed of a Ti-O bilayer with interfacial Ti. Atomically resolved STM images confirm that these TiO(x) phases wet the Pt surface, in contrast to rect-TiO2. This indicates their interface stabilization. At a low Ti dose (0.4 monolayer equivalents, MLE), an incommensurate kagomé-like low-density phase (k-TiO(x) phase) is observed where hexagons are sharing their vertexes. At a higher Ti dose (0.8 MLE), two denser phases are found, both characterized by a zigzag motif (z- and z'-TiO(x) phases), but with distinct rectangular unit cells. Among them, z'-TiO(x), which is obtained by annealing in ultrahigh vacuum (UHV), shows a larger unit cell. When the postannealing of the 0.8 MLE deposit is carried out at high temperatures and high oxygen partial pressures, the incommensurate nonwetting, fully oxidized rect-TiO2 is found The symmetry and lattice dimensions are almost identical with rect-VO2, observed in the system VO(x)/Pd(111). At a higher coverage (1.2 MLE), two commensurate hexagonal phases are formed, namely the w- [(square root(43) x square root(43)) R 7.6 degrees] and w'-TiO(x) phase [(7 x 7) R 21.8 degrees]. They show wagon-wheel-like structures and have slightly different lattice dimensions. Larger Ti deposits produce TiO2 nanoclusters on top of the different monolayer films, as supported both by XPS and STM data. Besides the formation of TiO(x) surfaces phases, wormlike features are found on the bare parts of the substrate by STM. We suggest that these structures, probably multilayer disordered TiO2, represent growth precursors of the ordered phases. Our results on the different nanostructures are compared with literature data on similar systems, e.g., VO(x)/Pd(111), VO(x)/Rh(111), TiO(x)/Pd(111), TiO(x)/Pt(111), and TiO(x)/Ru(0001). Similar and distinct features are observed in the TiO(x)/Pt(111) case, which may be related to the different chemical natures of the overlayer and of the substrate.

Kirchhoff Index of Cyclopolyacenes

NASA Astrophysics Data System (ADS)

Wang, Yan; Zhang, Wenwen

2010-10-01

The resistance distance between two vertices of a connected graph G is computed as the effective resistance between them in the corresponding network constructed from G by replacing each edge with a unit resistor. The Kirchhoff index of G is the sum of resistance distances between all pairs of vertices. In this paper, following the method of Y. J. Yang and H. P. Zhang in the proof of the Kirchhoff index of the linear hexagonal chain, we obtain the Kirchhoff index of cyclopolyacenes, denoted by HRn, in terms of its Laplacian spectrum. We show that the Kirchhoff index of HRnis approximately one third of its Wiener index.

Characterization of the secondary flow in hexagonal ducts

NASA Astrophysics Data System (ADS)

Marin, O.; Vinuesa, R.; Obabko, A. V.; Schlatter, P.

2016-12-01

In this work we report the results of DNSs and LESs of the turbulent flow through hexagonal ducts at friction Reynolds numbers based on centerplane wall shear and duct half-height Reτ,c ≃ 180, 360, and 550. The evolution of the Fanning friction factor f with Re is in very good agreement with experimental measurements. A significant disagreement between the DNS and previous RANS simulations was found in the prediction of the in-plane velocity, and is explained through the inability of the RANS model to properly reproduce the secondary flow present in the hexagon. The kinetic energy of the secondary flow integrated over the cross-sectional area yz decreases with Re in the hexagon, whereas it remains constant with Re in square ducts at comparable Reynolds numbers. Close connection between the values of Reynolds stress u w ¯ on the horizontal wall close to the corner and the interaction of bursting events between the horizontal and inclined walls is found. This interaction leads to the formation of the secondary flow, and is less frequent in the hexagon as Re increases due to the 120∘ aperture of its vertex, whereas in the square duct the 90∘ corner leads to the same level of interaction with increasing Re. Analysis of turbulence statistics at the centerplane and the azimuthal variance of the mean flow and the fluctuations shows a close connection between hexagonal ducts and pipe flows, since the hexagon exhibits near-axisymmetric conditions up to a distance of around 0.15DH measured from its center. Spanwise distributions of wall-shear stress show that in square ducts the 90∘ corner sets the location of a high-speed streak at a distance zv+≃50 from it, whereas in hexagons the 120∘ aperture leads to a shorter distance of zv+≃38 . At these locations the root mean square of the wall-shear stresses exhibits an inflection point, which further shows the connections between the near-wall structures and the large-scale motions in the outer flow.

Characterization of the secondary flow in hexagonal ducts

DOE PAGES

Marin, O.; Vinuesa, R.; Obabko, A. V.; ...

2016-12-06

In this work we report the results of DNSs and LESs of the turbulent flow through hexagonal ducts at friction Reynolds numbers based on centerplane wall shear and duct half-height Re τ,c ≃ 180, 360, and 550. The evolution of the Fanning friction factor f with Re is in very good agreement with experimental measurements. A significant disagreement between the DNS and previous RANS simulations was found in the prediction of the in-plane velocity, and is explained through the inability of the RANS model to properly reproduce the secondary flow present in the hexagon. The kinetic energy of the secondarymore » flow integrated over the cross-sectional area < K > yz decreases with Re in the hexagon, whereas it remains constant with Re in square ducts at comparable Reynolds numbers. Close connection between the values of Reynolds stress uw¯ on the horizontal wall close to the corner and the interaction of bursting events between the horizontal and inclined walls is found. This interaction leads to the formation of the secondary flow, and is less frequent in the hexagon as Re increases due to the 120° aperture of its vertex, whereas in the square duct the 90° corner leads to the same level of interaction with increasing Re. Analysis of turbulence statistics at the centerplane and the azimuthal variance of the mean flow and the fluctuations shows a close connection between hexagonal ducts and pipe flows, since the hexagon exhibits near-axisymmetric conditions up to a distance of around 0.15 DH measured from its center. Spanwise distributions of wall-shear stress show that in square ducts the 90° corner sets the location of a high-speed streak at a distance z + v≃50 from it, whereas in hexagons the 120° aperture leads to a shorter distance of z + v≃38. Finally, at these locations the root mean square of the wall-shear stresses exhibits an inflection point, which further shows the connections between the near-wall structures and the large-scale motions in the outer flow.« less

Vestibular receptor cells and signal detection: bioaccelerometers and the hexagonal sampling of two-dimensional signals

NASA Technical Reports Server (NTRS)

Mugler, D. H.; Ross, M. D.

1990-01-01

The inner ear contains sensory organs which signal changes in head movement. The vestibular sacs, in particular, are sensitive to linear accelerations. Electron microscopic images have revealed the structure of tiny sensory hair bundles, whose mechanical deformation results in the initiation of neuronal activity and the transmission of electrical signals to the brain. The structure of the hair bundles is shown in this paper to be that of the most efficient two-dimensional phased-array signal processors.

Textural, Structural and Biological Evaluation of Hydroxyapatite Doped with Zinc at Low Concentrations

PubMed Central

Predoi, Daniela; Iconaru, Simona Liliana; Deniaud, Aurélien; Chevallet, Mireille; Michaud-Soret, Isabelle; Buton, Nicolas; Prodan, Alina Mihaela

2017-01-01

The present work was focused on the synthesis and characterization of hydroxyapatite doped with low concentrations of zinc (Zn:HAp) (0.01 < xZn < 0.05). The incorporation of low concentrations of Zn2+ ions in the hydroxyapatite (HAp) structure was achieved by co-precipitation method. The physico-chemical properties of the samples were characterized by X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Scanning Electron Microscopy (SEM), zeta-potential, and DLS and N2-BET measurements. The results obtained by XRD and FTIR studies demonstrated that doping hydroxyapatite with low concentrations of zinc leads to the formation of a hexagonal structure with lattice parameters characteristic to hydroxyapatite. The XRD studies have also shown that the crystallite size and lattice parameters of the unit cell depend on the substitutions of Ca2+ with Zn2+ in the apatitic structure. Moreover, the FTIR analysis revealed that the water content increases with the increase of zinc concentration. Furthermore, the Energy Dispersive X-ray Analysis (EDAX) and XPS analyses showed that the elements Ca, P, O, and Zn were found in all the Zn:HAp samples suggesting that the synthesized materials were zinc doped hydroxyapatite, Ca10−xZnx(PO4)6(OH), with 0.01 ≤ xZn ≤ 0.05. Antimicrobial assays on Staphylococcus aureus and Escherichia coli bacterial strains and HepG2 cell viability assay were carried out. PMID:28772589

Syntheses, crystal structures, and properties of new layered tungsten(VI)-containing materials based on the hexagonal-WO{sub 3} structure: M{sub 2}(WO{sub 3}){sub 3}SeO{sub 3} (M = NH{sub 4}, Rb, Cs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harrison, W.T.A.; Dussack, L.L.; Jacobson, A.J.

The hydrothermal syntheses and crystal structures of (NH{sub 4}){sub 2}(WO{sub 3}){sub 3}SeO{sub 3} and Cs{sub 2}(WO{sub 3}){sub 3}SeO{sub 3}, two new noncentrosymmetric, layered tungsten(VI)-containing phases are reported. Infrared, Raman, and thermogravimetric data are also presented. (NH{sub 4}){sub 2}(WO{sub 3}){sub 3}SeO{sub 3} and Cs{sub 2}(WO{sub 3}){sub 3}SeO{sub 3} are isostructural phases built up from hexagonal-tungsten-oxide-like, anionic layers of vertex-sharing WO{sub 6} octahedra, capped on one side by Se atoms (as selenite groups). Interlayer NH{sub 4}{sup +} or Cs{sup +} cations provide charge balance. The full H-bonding scheme in (NH{sub 4}){sub 2}(WO{sub 3}){sub 3}SeO{sub 3} has been elucidated from Rietveld refinement againstmore » neutron powder diffraction data. The WO{sub 6} octahedra display a 3 short + 3 long W-O bond-distance distribution within the WO{sub 6} unit in both these phases. (NH{sub 4}){sub 2}(WO{sub 3}){sub 3}SeO{sub 3} and Cs{sub 2}(WO{sub 3}){sub 3}SeO{sub 3} are isostructural with their molybdenum(VI)-containing analogues (NH{sub 4}){sub 2}(MoO{sub 3}){sub 3}SeO{sub 3} and Cs{sub 2} (MoO{sub 3}){sub 3}SeO{sub 3}. Crystal data: (NH{sub 4}){sub 2}(WO{sub 3}){sub 3}SeO{sub 3}, M{sub r} = 858.58, hexagonal, space group P6{sub 3} (No. 173), a = 7.2291(2) {angstrom}, c = 12.1486(3) {angstrom}, V = 549.82(3) {angstrom}{sup 3}, Z = 2, R{sub p} = 1.81%, and R{sub wp} = 2.29% (2938 neutron powder data). Cs{sub 2}(WO{sub 3}){sub 3}SeO{sub 3}, M{sub r} = 1088.31, hexagonal, space group P6{sub 3} (no. 173), a = 7.2615(2) {angstrom}, c = 12.5426(3) {angstrom}{sup 3}, Z = 2, R{sub p} = 4.84%, and R{sub wp} = 5.98% (2588 neutron powder data).« less

Ultrathin Two-Dimensional Covalent Organic Framework Nanosheets: Preparation and Application in Highly Sensitive and Selective DNA Detection.

PubMed

Peng, Yongwu; Huang, Ying; Zhu, Yihan; Chen, Bo; Wang, Liying; Lai, Zhuangchai; Zhang, Zhicheng; Zhao, Meiting; Tan, Chaoliang; Yang, Nailiang; Shao, Fangwei; Han, Yu; Zhang, Hua

2017-06-28

The ability to prepare ultrathin two-dimensional (2D) covalent organic framework (COF) nanosheets (NSs) in high yield is of great importance for the further exploration of their unique properties and potential applications. Herein, by elaborately designing and choosing two flexible molecules with C 3v molecular symmetry as building units, a novel imine-linked COF, namely, TPA-COF, with a hexagonal layered structure and sheet-like morphology, is synthesized. Since the flexible building units are integrated into the COF skeletons, the interlayer stacking becomes weak, resulting in the easy exfoliation of TPA-COF into ultrathin 2D NSs. Impressively, for the first time, the detailed structural information, i.e., the pore channels and individual building units in the NSs, is clearly visualized by using the recently developed low-dose imaging technique of transmission electron microscopy (TEM). As a proof-of-concept application, the obtained ultrathin COF NSs are used as a novel fluorescence sensing platform for the highly sensitive and selective detection of DNA.

Magnetic and thermodynamic properties of Ising model with borophene structure in a longitudinal magnetic field

NASA Astrophysics Data System (ADS)

Shi, Kaile; Jiang, Wei; Guo, Anbang; Wang, Kai; Wu, Chuang

2018-06-01

The magnetic and thermodynamic properties of borophene structure have been studied for the first time by Monte Carlo simulation. Two-dimensional borophene structure consisting of seven hexagonal B36 units is described by Ising model. Each B36 basic unit includes three benzene-like with spin-3/2. The general formula for the borophene structure is given. The numerical results of the magnetization, the magnetic susceptibility, the internal energy and the specific heat are studied with various parameters. The possibility to test the predicted magnetism in experiment are illustrated, for instance, the maximum on the magnetization curve. The multiple hysteresis loops and the magnetization plateaus are sensitive to the ferromagnetic or ferrimagnetic exchange coupling in borophene structure. The results show the borophene structure could have applications in spintronics, which deserves further studies in experiments.

Multi-object detection and tracking technology based on hexagonal opto-electronic detector

NASA Astrophysics Data System (ADS)

Song, Yong; Hao, Qun; Li, Xiang

2008-02-01

A novel multi-object detection and tracking technology based on hexagonal opto-electronic detector is proposed, in which (1) a new hexagonal detector, which is composed of 6 linear CCDs, has been firstly developed to achieve the field of view of 360 degree, (2) to achieve the detection and tracking of multi-object with high speed, the object recognition criterions of Object Signal Width Criterion (OSWC) and Horizontal Scale Ratio Criterion (HSRC) are proposed. In this paper, Simulated Experiments have been carried out to verify the validity of the proposed technology, which show that the detection and tracking of multi-object can be achieved with high speed by using the proposed hexagonal detector and the criterions of OSWC and HSRC, indicating that the technology offers significant advantages in Photo-electric Detection, Computer Vision, Virtual Reality, Augment Reality, etc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu

Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range frommore » −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.« less

7-Hexagon Multifocal Electroretinography for an Objective Functional Assessment of the Macula in 14 Seconds.

PubMed

Schönbach, Etienne M; Chaikitmongkol, Voraporn; Annam, Rachel; McDonnell, Emma C; Wolfson, Yulia; Fletcher, Emily; Scholl, Hendrik P N

2017-01-01

We present the multifocal electroretinogram (mfERG) with a 7-hexagon array as an objective test of macular function that can be recorded in 14 s. We provide normal values and investigate its reproducibility and validity. Healthy participants underwent mfERG testing according to International Society for Clinical Electrophysiology of Vision (ISCEV) standards using the Espion Profile/D310 multifocal ERG system (Diagnosys, LLC, Lowell, MA, USA). One standard recording of a 61-hexagon array and 2 repeated recordings of a custom 7-hexagon array were obtained. A total of 13 subjects (mean age 46.9 years) were included. The median response densities were 12.5 nV/deg2 in the center and 5.2 nV/deg2 in the periphery. Intereye correlations were strong in both the center (ρCenter = 0.821; p < 0.0001) and the periphery (ρPeriphery = 0.862; p < 0.0001). Intraeye correlations were even stronger: ρCenter = 0.904 with p < 0.0001 and ρPeriphery = 0.955 with p < 0.0001. Bland-Altman plots demonstrated an acceptable retest mean difference in both the center and periphery, and narrow limits of agreement. We found strong correlations of the center (ρCenter = 0.826; p < 0.0001) and periphery (ρPeriphery = 0.848; p < 0.0001), with recordings obtained by the 61-hexagon method. The 7-hexagon mfERG provides reproducible results in agreement with results obtained according to the ISCEV standard. © 2017 S. Karger AG, Basel.

Extracting grid cell characteristics from place cell inputs using non-negative principal component analysis

PubMed Central

Dordek, Yedidyah; Soudry, Daniel; Meir, Ron; Derdikman, Dori

2016-01-01

Many recent models study the downstream projection from grid cells to place cells, while recent data have pointed out the importance of the feedback projection. We thus asked how grid cells are affected by the nature of the input from the place cells. We propose a single-layer neural network with feedforward weights connecting place-like input cells to grid cell outputs. Place-to-grid weights are learned via a generalized Hebbian rule. The architecture of this network highly resembles neural networks used to perform Principal Component Analysis (PCA). Both numerical results and analytic considerations indicate that if the components of the feedforward neural network are non-negative, the output converges to a hexagonal lattice. Without the non-negativity constraint, the output converges to a square lattice. Consistent with experiments, grid spacing ratio between the first two consecutive modules is −1.4. Our results express a possible linkage between place cell to grid cell interactions and PCA. DOI: http://dx.doi.org/10.7554/eLife.10094.001 PMID:26952211

Investigation on structural, thermal, optical and sensing properties of meta-stable hexagonal MoO(3) nanocrystals of one dimensional structure.

PubMed

Chithambararaj, Angamuthuraj; Bose, Arumugam Chandra

2011-01-01

Hexagonal molybdenum oxide (h-MoO(3)) was synthesized by a solution based chemical precipitation technique. Analysis by X-ray diffraction (XRD) confirmed that the as-synthesized powder had a metastable hexagonal structure. The characteristic vibrational band of Mo-O was identified from Fourier transform infrared spectroscopy (FT-IR). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images clearly depicted the morphology and size of h-MoO(3.) The morphology study showed that the product comprises one-dimensional (1D) hexagonal rods. From the electron energy loss spectroscopy (EELS) measurement, the elemental composition was investigated and confirmed from the characteristic peaks of molybdenum and oxygen. Thermogravimetric (TG) analysis on metastable MoO(3) revealed that the hexagonal phase was stable up to 430 °C and above this temperature complete transformation into a highly stable orthorhombic phase was achieved. The optical band gap energy was estimated from the Kubelka-Munk (K-M) function and was found to be 2.99 eV. Finally, the ethanol vapor-sensing behavior was investigated and the sensing response was found to vary linearly as a function of ethanol concentration in the parts per million (ppm) range.

On the buckling of hexagonal boron nitride nanoribbons via structural mechanics

NASA Astrophysics Data System (ADS)

Giannopoulos, Georgios I.

2018-03-01

Monolayer hexagonal boron nitride nanoribbons have similar crystal structure as graphene nanoribbons, have excellent mechanical, thermal insulating and dielectric properties and additionally present chemical stability. These allotropes of boron nitride can be used in novel applications, in which graphene is not compatible, to achieve remarkable performance. The purpose of the present work is to provide theoretical estimations regarding the buckling response of hexagonal boron nitride monolayer under compressive axial loadings. For this reason, a structural mechanics method is formulated which employs the exact equilibrium atomistic structure of the specific two-dimensional nanomaterial. In order to represent the interatomic interactions appearing between boron and nitrogen atoms, the Dreiding potential model is adopted which is realized by the use of three-dimensional, two-noded, spring-like finite elements of appropriate stiffness matrices. The critical compressive loads that cause the buckling of hexagonal boron nitride nanoribbons are computed with respect to their size and chirality while some indicative buckled shapes of them are illustrated. Important conclusions arise regarding the effect of the size and chirality on the structural stability of the hexagonal boron nitride monolayers. An analytical buckling formula, which provides good fitting of the numerical outcome, is proposed.

Polarization-free integrated gallium-nitride photonics

PubMed Central

Bayram, C.; Liu, R.

2017-01-01

Gallium Nitride (GaN) materials are the backbone of emerging solid state lighting. To date, GaN research has been primarily focused on hexagonal phase devices due to the natural crystallization. This approach limits the output power and efficiency of LEDs, particularly in the green spectrum. However, GaN can also be engineered to be in cubic phase. Cubic GaN has a lower bandgap (~200 meV) than hexagonal GaN that enables green LEDs much easily. Besides, cubic GaN has more isotropic properties (smaller effective masses, higher carrier mobility, higher doping efficiency, and higher optical gain than hexagonal GaN), and cleavage planes. Due to phase instability, however, cubic phase materials and devices have remained mostly unexplored. Here we review a new method of cubic phase GaN generation: Hexagonal-to-cubic phase transition, based on novel nano-patterning. We report a new crystallographic modelling of this hexagonal-to-cubic phase transition and systematically study the effects of nano-patterning on the GaN phase transition via transmission electron microscopy and electron backscatter diffraction experiments. In summary, silicon-integrated cubic phase GaN light emitters offer a unique opportunity for exploration in next generation photonics. PMID:29307953

Synthesis of hexagonal ultrathin tungsten oxide nanowires with diameters below 5 nm for enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

Lu, Huidan; Zhu, Qin; Zhang, Mengying; Yan, Yi; Liu, Yongping; Li, Ming; Yang, Zhishu; Geng, Peng

2018-04-01

Semiconductor with one dimension (1D) ultrathin nanostructure has been proved to be a promising nanomaterial in photocatalytic field. Great efforts were made on preparation of monoclinic ultrathin tungsten oxide nanowires. However, non-monoclinic phase tungsten oxides with 1D ultrathin structure, especially less than 5 nm width, have not been reported. Herein, we report the synthesis of hexagonal ultrathin tungsten oxide nanowires (U-WOx NW) by modified hydrothermal method. Microstructure characterization showed that U-WOx NW have the diameters of 1-3 nm below 5 nm and are hexagonal phase sub-stoichiometric WOx. U-WOx NW show absorption tail in the visible and near infrared region due to oxygen vacancies. For improving further photocatalytic performance, Ag co-catalyst was grown directly onto U-WOx NW surface by in situ redox reaction. Photocatalytic measurements revealed hexagonal U-WOx NW have better photodegradation activity, compared with commercial WO3(C-WO3) and oxidized U-WOx NW, ascribe to larger surface area, short diffusion length of photo-generated charge carriers and visible absorption of oxygen-vacancy-rich hexagonal ultrathin nanostructures. Moreover, the photocatalytic activity and stability of U-WOx NW using Ag co-catalyst were further improved.

Circles and Hexagons

NASA Image and Video Library

2017-10-09

Saturn's cloud belts generally move around the planet in a circular path, but one feature is slightly different. The planet's wandering, hexagon-shaped polar jet stream breaks the mold -- a reminder that surprises lurk everywhere in the solar system. This atmospheric feature was first observed by the Voyager mission in the early 1980s, and was dubbed "the hexagon." Cassini's visual and infrared mapping spectrometer was first to spy the hexagon during the mission, since it could see the feature's outline while the pole was still immersed in wintry darkness. The hexagon became visible to Cassini's imaging cameras as sunlight returned to the northern hemisphere. This view looks toward the northern hemisphere of Saturn -- in summer when this view was acquired -- from above 65 degrees north latitude. The image was taken with the Cassini spacecraft wide-angle camera on June 28, 2017 using a spectral filter which preferentially admits wavelengths of near-infrared light centered at 752 nanometers. The view was acquired at a distance of approximately 536,000 miles (862,000 kilometers) from Saturn. Image scale is 32 miles (52 kilometers) per pixel. The Cassini spacecraft ended its mission on Sept. 15, 2017. https://photojournal.jpl.nasa.gov/catalog/PIA21348

Cubic ice and large humidity with respect to ice in cold cirrus clouds

NASA Astrophysics Data System (ADS)

Bogdan, A.; Loerting, T.

2009-04-01

Recently several studies have reported about the possible formation of cubic ice in upper-tropospheric cirrus ice clouds and its role in the observed elevated relative humidity with respect to hexagonal ice, RHi, within the clouds. Since cubic ice is metastable with respect to stable hexagonal ice, its vapour pressure is higher. A key issue in determining the ratio of vapour pressures of cubic ice Pc and hexagonal ice Ph is the enthalpy of transformation from cubic to hexagonal ice Hc→h. By dividing the two integrated forms of the Clausius-Clapeyron equation for cubic ice and hexagonal ice, one obtains the relationship (1): ln Pc-- ln P*c-=--(Hc→h--) Ph P*h R 1T-- 1T* (1) from which the importance of Hc→h is evident. In many literature studies the approximation (2) is used: ln Pc-= Hc-→h. Ph RT (2) Using this approximated form one can predict the ratio of vapour pressures by measuring Hc→h. Unfortunately, the measurement of Hc→h is difficult. First, the enthalpy difference is very small, and the transition takes place over a broad temperature range, e.g., between 230 K and 260 K in some of our calorimetry experiments. Second, cubic ice (by contrast to hexagonal ice) can not be produced as a pure crystal. It always contains hexagonal stacking faults, which are evidenced by the (111)-hexagonal Bragg peak in the powder diffractogram. If the number of hexagonal stacking faults in cubic ice is high, then one could even consider this material as hexagonal ice with cubic stacking faults. Using the largest literature value of the change of enthalpy of transformation from cubic to hexagonal ice, Hc→h ? 160 J/mol, Murphy and Koop (2005) calculated that Pc would be ~10% higher than that of hexagonal ice Phat 180 K - 190 K, which agrees with the measurements obtained later by Shilling et al. (2006). Based on this result Shilling et al. concluded that "the formation of cubic ice at T < 202 K may significantly contribute to the persistent in-cloud water supersaturations" in the upper-tropospheric cold cirrus clouds. Using instead the value of Hc→h ? 50 J/mol (Handa et al., 1986; Mayer and Hallbrucker, 1987) the calculation gives that Pc is only ~3% larger than that of Ph. Recently it has been reported that emulsified water droplets freeze to cubic ice when being cooled at a rate of 10 K/min (Murray and Bertram, 2006,). We prepared emulsified droplets using the same emulsification technique and studied them with a differential scanning calorimeter (DSC) between 278 and 180 K using a scanning rate of 10 K/min. During the warming of the samples we observed a very broad, tiny exothermal peak approximately between 230 and 260 K. Kohl et al. (2000) observed exothermal peak at ~230 K during the warming at 30 K/min of several samples of hyperquenched glassy water (HGW) prepared at temperature between 130 and 190 K. They attributed this peak to the cubic-to-hexagonal ice transition and estimated Hc→h to be between ~33 and 75 J/mol. Johari (2005) used the value of Hc→h ? 37 J/mol. Assuming that in our case the broad peak between 230 and 260 K is also due to the cubic-to-hexagonal ice transition we obtained approximately between 10 and 25 J/mol for Hc→h. This low enthalpy of transformation suggests that cubic ice in the atmosphere contains many hexagonal stacking faults. Using these values of Hc→h for cubic ice as produced at atmospheric cooling rates, the above mentioned formula gives that Pc is larger than that of Ph only by ~1%. We, therefore, suggest that the difference in the water vapor pressures between ice Ic and ice Ih is small and does not play a significant role in the elevation of RHi in cold cirrus clouds. Murphy, D. M., and T. Koop (2005), Q. J. R. Meteorol. Soc. 131, 1539-1565. Shilling, J. E. et al. (2006). Geophys. Res. Lett. 33, L17801, doi:1029/2006GL026671. Handa, P. Y., D. D. Klug, and E. Whalley (1986). J. Chem. Phys. 84, 7009-7010. Mayer, E., and A. Hallbrucker (1987), Nature, 325, 601-602. Murray, B. J. and A. K. Bertram (2006), Phys. Chem. Chem. Phys. 8, 186-192. Kohl, I., E. Mayer, and A. Hallbrucker (2000), Phys. Chem. Chem. Phys. 2, 1579-1586. G. P. Johari, (2005), J. Chem. Phys. 122, 194504.

A methodology for comprehensive breast cancer Ki67 labeling index with intra-tumor heterogeneity appraisal based on hexagonal tiling of digital image analysis data.

PubMed

Plancoulaine, Benoit; Laurinaviciene, Aida; Herlin, Paulette; Besusparis, Justinas; Meskauskas, Raimundas; Baltrusaityte, Indra; Iqbal, Yasir; Laurinavicius, Arvydas

2015-10-19

Digital image analysis (DIA) enables higher accuracy, reproducibility, and capacity to enumerate cell populations by immunohistochemistry; however, the most unique benefits may be obtained by evaluating the spatial distribution and intra-tissue variance of markers. The proliferative activity of breast cancer tissue, estimated by the Ki67 labeling index (Ki67 LI), is a prognostic and predictive biomarker requiring robust measurement methodologies. We performed DIA on whole-slide images (WSI) of 302 surgically removed Ki67-stained breast cancer specimens; the tumour classifier algorithm was used to automatically detect tumour tissue but was not trained to distinguish between invasive and non-invasive carcinoma cells. The WSI DIA-generated data were subsampled by hexagonal tiling (HexT). Distribution and texture parameters were compared to conventional WSI DIA and pathology report data. Factor analysis of the data set, including total numbers of tumor cells, the Ki67 LI and Ki67 distribution, and texture indicators, extracted 4 factors, identified as entropy, proliferation, bimodality, and cellularity. The factor scores were further utilized in cluster analysis, outlining subcategories of heterogeneous tumors with predominant entropy, bimodality, or both at different levels of proliferative activity. The methodology also allowed the visualization of Ki67 LI heterogeneity in tumors and the automated detection and quantitative evaluation of Ki67 hotspots, based on the upper quintile of the HexT data, conceptualized as the "Pareto hotspot". We conclude that systematic subsampling of DIA-generated data into HexT enables comprehensive Ki67 LI analysis that reflects aspects of intra-tumor heterogeneity and may serve as a methodology to improve digital immunohistochemistry in general.

Epitaxial growth and photoluminescence of hexagonal CdS 1- xSe x alloy films

NASA Astrophysics Data System (ADS)

Grün, M.; Gerlach, H.; Breitkopf, Th.; Hetterich, M.; Reznitsky, A.; Kalt, H.; Klingshirn, C.

1995-01-01

CdSSe ternary alloy films were grown on GaAs(111) by hot-wall beam epitaxy. The hexagonal crystal phase is obtained. The composition varies from 0 to 40% selenium. Luminescence spectroscopy at low temperatures shows a dominant effect by alloy disorder. Localization of carriers, for example, is still observed at a pulsed optical excitation density of 6 mJ/cm 2. The overall quality of the CdSSe films is sufficient to use them as buffer layers for the growth of hexagonal superlattices.

Copper vapor-assisted growth of hexagonal graphene domains on silica islands

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jun; Que, Yande; Jiang, Lili

2016-07-11

Silica (SiO{sub 2}) islands with a dendritic structure were prepared on polycrystalline copper foil, using silane (SiH{sub 4}) as a precursor, by annealing at high temperature. Assisted by copper vapor from bare sections of the foil, single-layer hexagonal graphene domains were grown directly on the SiO{sub 2} islands by chemical vapor deposition. Scanning electron microscopy, atomic force microscopy, Raman spectra, and X-ray photoelectron spectroscopy confirm that hexagonal graphene domains, each measuring several microns, were synthesized on the silica islands.

The cardiac ultrastructure of Chimaera monstrosa L. (Elasmobranchii: Holocephali).

PubMed

Berge, P I

1979-09-03

The ultrastructure of the heart in Chimaera monstrosa L. is described. The endocardial and the epicardial cells are similar in the three cardiac regions. Myocardial cells show small variations. The myofibred, 4--6 microns thick, contains one or a few myofibrils. Each myosin filament is surrounded by six actin filaments. The sarcomere banding pattern includes the Z-, A-, I-, M-, N-, and H-band. End-to-end attachments between myofibres are composed of alternating desmosomes and fasciae adhaerentes. Desmosomes and nexuses occur between longitudinally oriented cell surfaces. The sarcoplasmic reticulum is poorly developed but well defined. Peripheral coupling-like structures are common, T-tubules are absent. Membrane bound dense bodies occur in all regions. Areas with ribosomes and single myosin filaments are often seen. The epicardial cells have a regular hexagonal surface and are much thicker than the endocardial cells. Numerous short and few longer cytoplasmic extensions face the pericardial cavity. The flat endocardial cells contain a large nucleus and small amounts of cytoplasm.

Structural plasticity: how intermetallics deform themselves in response to chemical pressure, and the complex structures that result.

PubMed

Berns, Veronica M; Fredrickson, Daniel C

2014-10-06

Interfaces between periodic domains play a crucial role in the properties of metallic materials, as is vividly illustrated by the way in which the familiar malleability of many metals arises from the formation and migration of dislocations. In complex intermetallics, such interfaces can occur as an integral part of the ground-state crystal structure, rather than as defects, resulting in such marvels as the NaCd2 structure (whose giant cubic unit cell contains more than 1000 atoms). However, the sources of the periodic interfaces in intermetallics remain mysterious, unlike the dislocations in simple metals, which can be associated with the exertion of physical stresses. In this Article, we propose and explore the concept of structural plasticity, the hypothesis that interfaces in complex intermetallic structures similarly result from stresses, but ones that are inherent in a defect-free parent structure, rather than being externally applied. Using DFT-chemical pressure analysis, we show how the complex structures of Ca2Ag7 (Yb2Ag7 type), Ca14Cd51 (Gd14Ag51 type), and the 1/1 Tsai-type quasicrystal approximant CaCd6 (YCd6 type) can all be traced to large negative pressures around the Ca atoms of a common progenitor structure, the CaCu5 type with its simple hexagonal 6-atom unit cell. Two structural paths are found by which the compounds provide relief to the Ca atoms' negative pressures: a Ca-rich pathway, where lower coordination numbers are achieved through defects eliminating transition metal (TM) atoms from the structure; and a TM-rich path, along which the addition of spacer Cd atoms provides the Ca coordination environments greater independence from each other as they contract. The common origins of these structures in the presence of stresses within a single parent structure highlights the diverse paths by which intermetallics can cope with competing interactions, and the role that structural plasticity may play in navigating this diversity.

Magnetic properties of the layered III-VI diluted magnetic semiconductor Ga{sub 1−x}Fe{sub x}Te

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pekarek, T. M.; Edwards, P. S.; Olejniczak, T. L.

2016-05-15

Magnetic properties of single crystalline Ga{sub 1−x}Fe{sub x}Te (x = 0.05) have been measured. GaTe and related layered III-VI semiconductors exhibit a rich collection of important properties for THz generation and detection. The magnetization versus field for an x = 0.05 sample deviates from the linear response seen previously in Ga{sub 1−x}Mn{sub x}Se and Ga{sub 1−x}Mn{sub x}S and reaches a maximum of 0.68 emu/g at 2 K in 7 T. The magnetization of Ga{sub 1−x}Fe{sub x}Te saturates rapidly even at room temperature where the magnetization reaches 50% of saturation in a field of only 0.2 T. In 0.1 T atmore » temperatures between 50 and 400 K, the magnetization drops to a roughly constant 0.22 emu/g. In 0 T, the magnetization drops to zero with no hysteresis present. The data is consistent with Van-Vleck paramagnetism combined with a pronounced crystalline anisotropy, which is similar to that observed for Ga{sub 1−x}Fe{sub x}Se. Neither the broad thermal hysteresis observed from 100-300 K in In{sub 1−x}Mn{sub x}Se nor the spin-glass behavior observed around 10.9 K in Ga{sub 1−x}Mn{sub x}S are observed in Ga{sub 1−x}Fe{sub x}Te. Single crystal x-ray diffraction data yield a rhombohedral space group bearing hexagonal axes, namely R3c. The unit cell dimensions were a = 5.01 Å, b = 5.01 Å, and c = 17.02 Å, with α = 90°, β = 90°, and γ = 120° giving a unit cell volume of 369 Å{sup 3}.« less

Magnetic and absorbing properties of M-type substituted hexaferrites BaFe{sub 12–x}Ga{sub x}O{sub 19} (0.1 < x < 1.2)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trukhanov, S. V., E-mail: trukhanov@ifttp.bas-net.by; Trukhanov, A. V.; Kostishin, V. G.

2016-09-15

X-ray powder diffraction is used to determine the unit cell parameters and to refine the crystal structure of the solid solutions of M-type hexagonal barium ferrite BaFe{sub 12–x}Ga{sub x}O{sub 19} (x = 0.1–1.2) with isostructural diamagnetic cation Ga{sup 3+} substitution at T = 300 K. As the level of substitution increases, the unit cell parameters are shown to decrease monotonically. The temperature (300 K ≤ T ≤ 750 K, H = 8.6 kOe) and field (T = 300 K,–20 kOe ≤ H ≤ 20 kOe) dependences of the saturation magnetization of these solid solutions are studied with a vibrating-sample magnetometer.more » The concentration dependences of the Curie temperature T{sub C}, the specific spontaneous magnetization, and the coercive force are plotted. The magnetic parameters are found to decrease with increasing substitution. The microwave properties of the solid solutions are analyzed in an external magnetic field (0 ≤ H ≤ 4 kOe). As the cation Ga{sup 3+} concentration increases from x = 0.1 to 0.6, the natural ferromagnetic resonance (NFMR) frequency decreases; as the concentration increases further to x = 1.2, this frequency again increases. As the cation Ga{sup 3+} concentration increases, the NFMR line width increases, which indicates a widening of the frequency range where electromagnetic radiation is intensely absorbed. Here, the resonance curve peak amplitude changes insignificantly. The shift of the NFMR frequency in an applied magnetic field is more pronounced for samples with low cation Ga{sup 3+} concentrations. The role of diamagnetic substitution is revealed, and the prospects and advantages of Ga-substituted beryllium hexaferrite as the material absorbing high-frequency electromagnetic radiation are demonstrated.« less

How to Make a Neurocrystal: Modeling the developmental patterning of the fly's retina

NASA Astrophysics Data System (ADS)

Lubensky, David

2005-03-01

Animals' ability to create the complex patterns found in many organisms is an enduring source of wonder and a topic that has long drawn the interest of scientists of all stripes. Famously, it was an attempt to model developmental patterning that led to the discovery of the Turing instability. Here, we study one of the most remarkable and best-characterized examples of such pattern formation, the development of the fruit fly's compound eye. In the fly larva, a front of differentiation moves across the sheet of tissue that will become the adult retina. It leaves behind it a striking hexagonal array of cells marked by high levels of the protein Atonal. It has previously been noted that a standard activator-inhibitor model might explain this process [Meinhardt, 1992], but only recently has the basic genetic logic governing photoreceptor specification been deciphered [e.g. Frankfort and Mardon, 2002]. We build on these advances with the first model of retinal patterning based on experimentally verified interactions. Surprisingly, we conclude that a Turing-instability-based mechanism alone cannot reproduce the observed behavior. Instead, we propose that the pattern is generated primarily by a novel ``epitaxial'' process in which, as the front progresses, each newly-created row of unit cells acts as a template for the next one. A clear prediction of this model is that if the communication between successive rows is broken, even transiently, a striped pattern will appear. Preliminary experimental tests suggest that just such a phenomenon occurs in some mutants. Related patterning processes have been observed in systems as diverse as chick feather buds and vertebrate retinal ganglion cells [Pichaud, Treisman, and Desplan, 2001]; our model may thus describe an evolutionarily conserved module.

Phase stabilisation of hexagonal barium titanate doped with transition metals: A computational study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, J.A., E-mail: mtp09jd@sheffield.ac.uk; Freeman, C.L.; Harding, J.H.

Interatomic potentials recently developed for the modelling of BaTiO{sub 3} have been used to explore the stabilisation of the hexagonal polymorph of BaTiO{sub 3} by doping with transition metals (namely Mn, Co, Fe and Ni) at the Ti-site. Classical simulations have been completed on both the cubic and hexagonal polymorphs to investigate the energetic consequences of transition metal doping on each polymorph. Ti-site charge compensation mechanisms have been used for the multi-valent transition metal ions and cluster binding energies have been considered. Simulations show a significant energetic gain when doping occurs at Ti sites in the face sharing dimers (Ti{submore » 2} sites) of the hexagonal polymorph compared with the doping of the cubic polymorph. This energetic difference between the two polymorphs is true for all transition metals tested and all charge states and in the case of tri- and tetra-valent dopants negative solution energies are found for the hexagonal polymorph suggesting actual polymorph stabilisation occurs with the incorporation of these ions as observed experimentally. Oxidation during incorporation of Ni{sup 2+} and Fe{sup 3+} ions has also been considered. - Graphical abstract: The representation of the strongest binding energy clusters for tri-valent dopants—(a) Ti{sub 2}/O{sub 1} cluster and (b) Ti{sub 2}/O{sub 2} cluster. Highlights: ► Classical simulations show a significant energetic gain when doping occurs at Ti sites in the face sharing dimers (Ti2 sites) of the hexagonal polymorph compared with the doping of the cubic polymorph. ► This energetic difference between the two polymorphs is true for all transition metals tested and all charge states. ► In the case of tri- and tetra- valent dopants negative solution energies are found for the hexagonal polymorph suggesting actual polymorph stabilisation occurs with the incorporation of these ions.« less

Instrument adjustment knob locks to prevent accidental maladjustment

NASA Technical Reports Server (NTRS)

1964-01-01

A device, incorporating a collar with a hexagonal opening which fits snugly over a hexagonal nut used to engage instrument panel components, keeps the adjustment knob locked. A quick release mechanism frees the knob for rotational adjustment.

Investigation of electronic and magnetic properties of FeS: First principle and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Bouachraoui, Rachid; El Hachimi, Abdel Ghafour; Ziat, Younes; Bahmad, Lahoucine; Tahiri, Najim

2018-06-01

Electronic and magnetic properties of hexagonal Iron (II) Sulfide (hexagonal FeS) have been investigated by combining the Density functional theory (DFT) and Monte Carlo simulations (MCS). This compound is constituted by magnetic hexagonal lattice occupied by Fe2+ with spin state (S = 2). Based on ab initio method, we calculated the exchange coupling JFe-Fe between two magnetic atoms Fe-Fe in different directions. Also phase transitions, magnetic stability and magnetizations have been investigated in the framework of Monte Carlo simulations. Within this method, a second phase transition is observed at the Néel temperature TN = 450 K. This finding in good agreement with the reported data in the literature. The effect of the applied different parameters showed how can these parameters affect the critical temperature of this system. Moreover, we studied the density of states and found that the hexagonal FeS will be a promoting material for spintronic applications.

Oxygen interaction with hexagonal OsB 2 at high temperature

DOE PAGES

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; ...

2016-08-10

The stability of ReB 2-type hexagonal OsB 2 powder at high temperature with oxygen presence has been studied by thermogravimetric analysis, differential scanning calorimetry, SEM, EDS, and high-temperature scanning transmission electron microscopy and XRD. Results of the study revealed that OsB 2 ceramics interact readily with oxygen present in reducing atmosphere, especially at high temperature and produces boric acid, which decomposes on the surface of the powder resulting in the formation of boron vacancies in the hexagonal OsB 2 lattice as well as changes in the stoichiometry of the compound. It was also found that under low oxygen partial pressure,more » sintering of OsB 2 powders occurred at a relatively low temperature (900°C). Finally, hexagonal OsB 2 ceramic is prone to oxidation and it is very sensitive to oxygen partial pressures, especially at high temperatures.« less

Formation mechanism of graphite hexagonal pyramids by argon plasma etching of graphite substrates

NASA Astrophysics Data System (ADS)

Glad, X.; de Poucques, L.; Bougdira, J.

2015-12-01

A new graphite crystal morphology has been recently reported, namely the graphite hexagonal pyramids (GHPs). They are hexagonally-shaped crystals with diameters ranging from 50 to 800 nm and a constant apex angle of 40°. These nanostructures are formed from graphite substrates (flexible graphite and highly ordered pyrolytic graphite) in low pressure helicon coupling radiofrequency argon plasma at 25 eV ion energy and, purportedly, due to a physical etching process. In this paper, the occurrence of peculiar crystals is shown, presenting two hexagonal orientations obtained on both types of samples, which confirms such a formation mechanism. Moreover, by applying a pretreatment step with different time durations of inductive coupling radiofrequency argon plasma, for which the incident ion energy decreases at 12 eV, uniform coverage of the surface can be achieved with an influence on the density and size of the GHPs.

Additive Manufacturing of Dense Hexagonal Boron Nitride Objects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marquez Rossy, Andres E.; Armstrong, Beth L.; Elliott, Amy M.

The feasibility of manufacturing hexagonal boron nitride objects via additive manufacturing techniques was investigated. It was demonstrated that it is possible to hot-extrude thermoplastic filaments containing uniformly distributed boron nitride particles with a volume concentration as high as 60% and that these thermoplastic filaments can be used as feedstock for 3D-printing objects using a fused deposition system. Objects 3D-printed by fused deposition were subsequently sintered at high temperature to obtain dense ceramic products. In a parallel study the behavior of hexagonal boron nitride in aqueous solutions was investigated. It was shown that the addition of a cationic dispersant to anmore » azeotrope enabled the formulation of slurries with a volume concentration of boron nitride as high as 33%. Although these slurries exhibited complex rheological behavior, the results from this study are encouraging and provide a pathway for manufacturing hexagonal boron nitride objects via robocasting.« less

Optical Temperature Sensor Based on Infrared Excited Green Upconversion Emission in Hexagonal Phase NaLuF4:Yb3+/Er3+ Nanorods.

PubMed

Li, Dongyu; Tian, Linlin; Huang, Zhen; Shao, Lexi; Quan, Jun; Wang, Yuxiao

2016-04-01

Hexagonal phase NaLuF4:Yb3+/Er3+ nanorods were synthesized hydrothermally. An analysis of the intense green upconversion emissions at 525 nm and 550 nm in hexagonal phase NaLuF4:Yb3/+Er3+ nanorods under excitation power density of 4.2 W/cm2 available from a diode laser emitting at 976 nm, have been undertaken. Fluorescence intensity ratio (FIR) variation of temperature-sensitive green upconversion emissions at 525 nm and 550 nm in this material was recorded in the physiological range from 295 to 343 K. The maximum sensitivity derived from the FIR technique of the green upconversion emissions is approximately 0.0044 K-1. Experimental results implied that hexagonal phase NaLuF4:Yb3/+Er3+ nanorods was a potential candidate for optical temperature sensor.

Oxygen interaction with hexagonal OsB 2 at high temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina

The stability of ReB 2-type hexagonal OsB 2 powder at high temperature with oxygen presence has been studied by thermogravimetric analysis, differential scanning calorimetry, SEM, EDS, and high-temperature scanning transmission electron microscopy and XRD. Results of the study revealed that OsB 2 ceramics interact readily with oxygen present in reducing atmosphere, especially at high temperature and produces boric acid, which decomposes on the surface of the powder resulting in the formation of boron vacancies in the hexagonal OsB 2 lattice as well as changes in the stoichiometry of the compound. It was also found that under low oxygen partial pressure,more » sintering of OsB 2 powders occurred at a relatively low temperature (900°C). Finally, hexagonal OsB 2 ceramic is prone to oxidation and it is very sensitive to oxygen partial pressures, especially at high temperatures.« less

Water freezing and ice melting

DOE PAGES

Malolepsza, Edyta; Keyes, Tom

2015-10-12

The generalized replica exchange method (gREM) is designed to sample states with coexisting phases and thereby to describe strong first order phase transitions. The isobaric MD version of the gREM is presented and applied to freezing of liquid water, and melting of hexagonal and cubic ice. It is confirmed that coexisting states are well sampled. The statistical temperature as a function of enthalpy, T S(H), is obtained. Hysteresis between freezing and melting is observed and discussed. The entropic analysis of phase transitions is applied and equilibrium transition temperatures, latent heats, and surface tensions are obtained for hexagonal ice↔liquid and cubicmore » ice↔liquid, with excellent agreement with published values. A new method is given to assign water molecules among various symmetry types. As a result, pathways for water freezing, ultimately leading to hexagonal ice, are found to contain intermediate layered structures built from hexagonal and cubic ice.« less

Kinematic dynamo action in square and hexagonal patterns.

PubMed

Favier, B; Proctor, M R E

2013-11-01

We consider kinematic dynamo action in rapidly rotating Boussinesq convection just above onset. The velocity is constrained to have either a square or a hexagonal pattern. For the square pattern, large-scale dynamo action is observed at onset, with most of the magnetic energy being contained in the horizontally averaged component. As the magnetic Reynolds number increases, small-scale dynamo action becomes possible, reducing the overall growth rate of the dynamo. For the hexagonal pattern, the breaking of symmetry between up and down flows results in an effective pumping velocity. For intermediate rotation rates, this additional effect can prevent the growth of any mean-field dynamo, so that only a small-scale dynamo is eventually possible at large enough magnetic Reynolds number. For very large rotation rates, this pumping term becomes negligible, and the dynamo properties of square and hexagonal patterns are qualitatively similar. These results hold for both perfectly conducting and infinite magnetic permeability boundary conditions.

Hexagonal gradient scheme with RF spoiling improves spoiling performance for high-flip-angle fast gradient echo imaging.

PubMed

Hess, Aaron T; Robson, Matthew D

2017-03-01

To present a framework in which time-varying gradients are applied with RF spoiling to reduce unwanted signal, particularly at high flip angles. A time-varying gradient spoiler scheme compatible with RF spoiling is defined, in which spoiler gradients cycle through the vertices of a hexagon, which we call hexagonal spoiling. The method is compared with a traditional constant spoiling gradient both in the transition to and in the steady state. Extended phase graph (EPG) simulations, phantom acquisitions, and in vivo images were used to assess the method. Simulations, phantom and in vivo experiments showed that unwanted signal was markedly reduced by employing hexagonal spoiling, both in the transition to and in the steady state. For adipose tissue at 1.5 Tesla, the unwanted signal in the steady state with a 60 ° flip angle was reduced from 22% with constant spoiling to 2% with hexagonal spoiling. A time-varying gradient spoiler scheme that works with RF spoiling, called "hexagonal spoiling," has been presented and found to offer improved spoiling over the traditional constant spoiling gradient. Magn Reson Med 77:1231-1237, 2017. © 2016 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. © The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine.

Resistance of three implant-abutment interfaces to fatigue testing

PubMed Central

RIBEIRO, Cleide Gisele; MAIA, Maria Luiza Cabral; SCHERRER, Susanne S.; CARDOSO, Antonio Carlos; WISKOTT, H. W. Anselm

2011-01-01

The design and retentive properties of implant-abutment connectors affect the mechanical resistance of implants. A number of studies have been carried out to compare the efficacy of connecting mechanisms between abutment and fixture. Objectives The aims of this study were: 1) to compare 3 implant-abutment interfaces (external hexagon, internal hexagon and cone-in-cone) regarding the fatigue resistance of the prosthetic screw, 2) to evaluate the corresponding mode of failure, and 3) to compare the results of this study with data obtained in previous studies on Nobel Biocare and Straumann connectors. Materials and Methods In order to duplicate the alternating and multivectorial intraoral loading pattern, the specimens were submitted to the rotating cantilever beam test. The implants, abutments and restoration analogs were spun around their longitudinal axes while a perpendicular force was applied to the external end. The objective was to determine the force level at which 50% of the specimens survived 106 load cycles. The mean force levels at which 50% failed and the corresponding 95% confidence intervals were determined using the staircase procedure. Results The external hexagon interface presented better than the cone-in-cone and internal hexagon interfaces. There was no significant difference between the cone-in-cone and internal hex interfaces. Conclusion Although internal connections present a more favorable design, this study did not show any advantage in terms of strength. The external hexagon connector used in this study yielded similar results to those obtained in a previous study with Nobel Biocare and Straumann systems. However, the internal connections (cone-in-cone and internal hexagon) were mechanically inferior compared to previous results. PMID:21710094

Comparative study of torque resistance and microgaps between a combined Octatorx-cone connection and an internal hexagon implant-abutment connection.

PubMed

Khongkhunthian, Pathawee; Khongkhunthian, Sakornratana; Weerawatprachya, Winai; Pongpat, Kanuengnit; Aunmeungtong, Weerapan

2015-05-01

Although the implant-abutment connection may prevent crestal bone loss around dental implants, its failure often leads to treatment failure. Microgap and micromovement of the implant-abutment connection could be causes of bone resorption around dental implant neck. The purpose of this study was to compare torque resistance and microgaps between a new cone and index connection (Octatorx) and an internal hexagon implant-abutment connection (Internal hex). Twenty Octatorx and 20 internal hexagon connections were attached with retaining screws at 30 Ncm. In a torsion resistance test, 10 of each type of connection were attached to a universal testing machine. Torque resistance with 90 degrees per minute rotation speed was recorded. For microgap measurement, each of 10 connections was embedded in clear acrylic resin. The blocks were cut longitudinally. Twenty specimens of each connection were evaluated. Twelve measurements of microgaps (6 on each side of specimen) were recorded under scanning electron microscopy. The average torsion resistance of Octatorx (203.6 ±17.4 Ncm) was significantly greater than that of the internal hexagon (146.4 ±16.1 Ncm, P<.05). For the microgap, there was a significant difference (P=.001) between the median values of Octatorx (1.19 μm) and the internal hexagon (3.80 μm). In this study, the new connection, Octatorx, had a smaller microgap and greater torque resistance than the internal hexagon connection. Copyright © 2015 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Emergence of chirality in hexagonally packed monolayers of hexapentyloxytriphenylene on Au(111): a joint experimental and theoretical study.

PubMed

Sleczkowski, Piotr; Katsonis, Nathalie; Kapitanchuk, Oleksiy; Marchenko, Alexandr; Mathevet, Fabrice; Croset, Bernard; Lacaze, Emmanuelle

2014-11-11

We investigate the expression of chirality in a monolayer formed spontaneously by 2,3,6,7,10,11-pentyloxytriphenylene (H5T) on Au(111). We resolve its interface morphology by combining scanning tunneling microscopy (STM) with theoretical calculations of intermolecular and interfacial interaction potentials. We observe two commensurate structures. While both of them belong to a hexagonal space group, analogical to the triangular symmetry of the molecule and the hexagonal symmetry of the substrate surface, they surprisingly reveal a 2D chiral character. The corresponding breaking of symmetry arises for two reasons. First it is due to the establishment of a large molecular density on the substrate, which leads to a rotation of the molecules with respect to the molecular network crystallographic axes to avoid steric repulsion between neighboring alkoxy chains. Second it is due to the molecule-substrate interactions, leading to commensurable large crystallographic cells associated with the large size of the molecule. As a consequence, molecular networks disoriented with respect to the high symmetry directions of the substrate are induced. The high simplicity of the intermolecular and molecule-substrate van der Waals interactions leading to these observations suggests a generic character for this kind of symmetry breaking. We demonstrate that, for similar molecular densities, only two kinds of molecular networks are stabilized by the molecule-substrate interactions. The most stable network favors the interfacial interactions between terminal alkoxy tails and Au(111). The metastable one favors a specific orientation of the triphenylene core with its symmetry axes collinear to the Au⟨110⟩. This specific orientation of the triphenylene cores with respect to Au(111) appears associated with an energy advantage larger by at least 0.26 eV with respect to the disoriented core.

Rare earth indates (RE: La-Yb): influence of the synthesis route and heat treatment on the crystal structure.

PubMed

Shukla, Rakesh; Grover, Vinita; Srinivasu, Kancharlapalli; Paul, Barnita; Roy, Anushree; Gupta, Ruma; Tyagi, Avesh Kumar

2018-05-15

Rare earth indates are an interesting class of compounds with rich crystallography. The present study explores the crystallographic phases observed in REInO3 (RE: La-Yb) systems and their dependence on synthesis routes and annealing temperature. All REInO3 compositions were synthesized by a solid state route as well as gel-combustion synthesis (GC) followed by annealing at different temperatures. The systems were well characterized by powder XRD studies and were analysed by Rietveld refinement for the structural parameters. The cell parameters were observed to decrease in accordance with the trend in ionic radii on proceeding from lighter to heavier rare earth ions. Interestingly, the synthesis route and the annealing temperature had a profound bearing on the phase relationships observed in the REInO3 series. The solid state synthesized samples depicted an orthorhombic phase (Pbnm) field for LaInO3 to SmInO3, followed by a hexagonal-type phase (P63cm) for GdInO3 to DyInO3. However, the phase field distribution was greatly influenced upon employing gel-combustion (GC) wherein both single-phasic hexagonal and orthorhombic phase fields were found to shrink. Annealing the GC-synthesized compositions to still higher temperatures (1250 °C) further evolved the phase boundaries. An important outcome of the study is observance of polymorphism in SmInO3 which crystallized in the hexagonal phase when synthesized by GC and orthorhombic phase by solid state synthesis. This reveals the all-important role played by synthesis conditions. The existence and energetics of the two polymorphs have been elucidated and discussed with the aid of theoretical studies.

Hexagonal cadmium oxide nanodisks: Efficient scaffold for cyanide ion sensing and photo-catalytic applications.

PubMed

Sharma, Pankaj; Rana, Dilbag Singh; Umar, Ahmad; Kumar, Ramesh; Chauhan, Mohinder Singh; Chauhan, Suvarcha

2016-06-01

Herein, we report the large-scale low-temperature aqueous solution based synthesis of hexagonal-shaped cadmium oxide (CdO) nanodisks. The synthesized nanodisks were characterized in detail to investigate the morphological, structural, optical and compositional properties using various analytical tools. The detailed characterizations revealed that the synthesized CdO nanodisks are grown in high-density, possessing well-crystallinity with cubic crystal phase and exhibiting good optical properties. Further, the prepared CdO nanodisks were used as efficient scaffold for cyanide ion sensor and photocatalyst applications. A luminescent sensor for the determination of cyanide ion in aqueous solution was fabricated based on synthesized CdO nanodisks. The fabricated luminescent sensor exhibited an extremely low detection limit (~1.40μmolL(-1)) towards cyanide ion which is significantly lower than the maximum permitted value of cyanide ion by United States Environmental Protection Agency (EPA) for drinking water (7.69μmolL(-1)). The interference studies of the fabricated sensor also demonstrate excellent selectivity towards cyanide ions compared to other coexisting ions. As a photocatalyst, the synthesized CdO nanodisks exhibited high photodegradation (~99.7%) of toxic methyl orange dye just in 90min using 0.25g of CdO nanodisks. Copyright © 2016 Elsevier B.V. All rights reserved.

An Easily Constructed Model of a Coordination Polyhedron that Represents the Hexagonal Closest-Packed Structure.

ERIC Educational Resources Information Center

Yamana, Shukichi

1987-01-01

Illustrates the 29 steps involved in the development of a model of a coordination polyhedron that represents the hexagonal closest packed structure. Points out it is useful in teaching stereochemistry. (TW)

Crystallization and preliminary characterization of a highly thermostable lectin from Trichosanthes dioica and comparison with other Trichosanthes lectins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dharkar, Poorva D.; Anuradha, P.; Gaikwad, Sushama M.

2006-03-01

A lectin from Trichosanthes dioica seeds has been purified and crystallized using 25%(w/v) PEG 2K MME, 0.2 M ammonium acetate, 0.1 M Tris–HCl pH 8.5 and 50 µl 0.5%(w/v) n-octyl β-d-glucopyranoside as thick needles belonging to hexagonal space group P6{sub 4}. A lectin from Trichosanthes dioica seeds has been purified and crystallized using 25%(w/v) PEG 2K MME, 0.2 M ammonium acetate, 0.1 M Tris–HCl pH 8.5 and 50 µl 0.5%(w/v) n-octyl β-d-glucopyranoside as thick needles belonging to hexagonal space group P6{sub 4}. Unit-cell parameters were a = b = 167.54, c = 77.42 Å. The crystals diffracted to a Braggmore » spacing of 2.8 Å. Both the structures of abrin-a and T. kirilowii lectin could be used as a model in structure determination using the molecular-replacement method; however, T. kirilowii lectin coordinates gave better values of reliability and correlation parameters. The thermal, chemical and pH stability of this lectin have also been studied. When heated, its haemagglutination activity remained unaffected up to 363 K. Other stability studies show that 4 M guanidinium hydrochloride (Gdn–HCl) initiates unfolding and that the protein is completely unfolded at 6 M Gdn–HCl. Treatment with urea resulted in a total loss of activity at higher concentrations of denaturant with no major structural changes. The protein remained stable over a wide pH range, from pH 6 to pH 12, except for partial unfolding at extremely alkaline pH. The role of disulfide bonds in the protein stability was found to be insignificant. Rayleigh light-scattering studies showed no molecular aggregation in any of the extreme treated conditions. The unusual stability of this lectin resembles that of type II ribosome-inactivating proteins (type II RIPs), which is also supported by structure determination. The structural features observed in a preliminary electron-density map were compared with the other two available Trichosanthes lectin structures.« less

Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

DOE PAGES

Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.; ...

2016-01-01

When appropriately activated, alkali rare-earth double phosphates of the form: M 3RE(PO 4) 2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K 3RE(PO 4) 2 with RE = Lu, Er, Ho,more » Dy, Gd, Nd, Ce, plus Y and Sc - as well as the compounds: A 3Lu(PO 4) 2, with A = Rb, and Cs. The double phosphate K 3Lu(PO 4) 2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K 3Lu(PO 4) 2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K 3Lu(PO 4) 2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K 3Yb(PO 4) 2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single-crystal growth methods structural systematics, and thermal expansion properties of the present series of alkali rare-earth double phosphates, as determined by X-ray and neutron diffraction methods, are treated here.« less

Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.

When appropriately activated, alkali rare-earth double phosphates of the form: M 3RE(PO 4) 2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K 3RE(PO 4) 2 with RE = Lu, Er, Ho,more » Dy, Gd, Nd, Ce, plus Y and Sc - as well as the compounds: A 3Lu(PO 4) 2, with A = Rb, and Cs. The double phosphate K 3Lu(PO 4) 2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K 3Lu(PO 4) 2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K 3Lu(PO 4) 2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K 3Yb(PO 4) 2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single-crystal growth methods structural systematics, and thermal expansion properties of the present series of alkali rare-earth double phosphates, as determined by X-ray and neutron diffraction methods, are treated here.« less

Studies on solid solutions based on layered honeycomb-ordered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berthelot, Romain; Schmidt, Whitney; Sleight, A.W.

2012-12-15

Three complete solid solutions between the layered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) have been prepared by conventional solid state method and investigated through X-ray diffraction, magnetism and optical measurements. All compositions are characterized by a M{sup 2+}/X{sup 6+} honeycomb ordering within the slabs and crystallize in a hexagonal unit cell. However, a structural transition based on a different stacking is observed as nickel (space group P6{sub 3}/mcm) is substituted by zinc or cobalt (space group P6{sub 3}22). All compositions exhibit a paramagnetic Curie-Weiss behavior at high temperatures; and the magnetic moment values confirm the presence of Ni{supmore » 2+} and/or Co{sup 2+} cations. The low-temperature antiferromagnetic order of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. The color of the obtained compositions varies from pink, to light green and white when M=Co, Ni, Zn, respectively. - Graphical abstract: The comparison between the structure of Na{sub 2}Ni{sub 2}TeO{sub 6} (left) and Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Zn) (right) evidences the stacking difference with distinct atom sequences along the hexagonal c-axis. Highlights: Black-Right-Pointing-Pointer Solid solutions between lamellar phases Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) are investigated. Black-Right-Pointing-Pointer A M{sup 2+}/X{sup 6+} honeycomb ordering characterized all the compositions. Black-Right-Pointing-Pointer A structural transition is shown when Ni is replaced by Co or Zn. Black-Right-Pointing-Pointer The low-temperature AFM ordering of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. Black-Right-Pointing-Pointer Color changes from pink to light green and white when M=Co, Ni, Zn, respectively.« less

Highly efficient ultrathin-film amorphous silicon solar cells on top of imprinted periodic nanodot arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Wensheng, E-mail: yws118@gmail.com; Gu, Min, E-mail: mgu@swin.edu.au; Tao, Zhikuo

2015-03-02

The addressing of the light absorption and conversion efficiency is critical to the ultrathin-film hydrogenated amorphous silicon (a-Si:H) solar cells. We systematically investigate ultrathin a-Si:H solar cells with a 100 nm absorber on top of imprinted hexagonal nanodot arrays. Experimental evidences are demonstrated for not only notable silver nanodot arrays but also lower-cost ITO and Al:ZnO nanodot arrays. The measured external quantum efficiency is explained by the simulation results. The J{sub sc} values are 12.1, 13.0, and 14.3 mA/cm{sup 2} and efficiencies are 6.6%, 7.5%, and 8.3% for ITO, Al:ZnO, and silver nanodot arrays, respectively. Simulated optical absorption distribution shows high lightmore » trapping within amorphous silicon layer.« less

New insights on strain energies in hexagonal systems

NASA Astrophysics Data System (ADS)

Thuinet, Ludovic; Besson, Rémy

2012-06-01

The preferential habit planes of coherent precipitates, strongly influencing alloy properties, can be investigated by direct-space elasticity methods, providing new insight into delicate issues such as elastic inhomogeneities or anharmonicity. Focusing on the poorly known hexagonal system, this work enlightens important trends overlooked hitherto, such as the critical role of C44, leading to the identification of distinct families of hexagonal alloys for precipitation. Moreover, it demonstrates the complex influence of inhomogeneities for real, finite-thickness morphologies. Finally, it provides the missing material required for atomic-scale studies of precipitation in low-symmetry systems with long-range interactions.

Low temperature synthesis of hexagonal ZnO nanorods and their hydrogen sensing properties

NASA Astrophysics Data System (ADS)

Qurashi, Ahsanulhaq; Faiz, M.; Tabet, N.; Alam, Mir Waqas

2011-08-01

The growth of hexagonal ZnO nanorods was demonstrated by low temperature chemical synthesis approach. X-ray diffraction (XRD) analysis revealed a wurtzite hexagonal structure of the ZnO nanorods. The optical properties were measured by UV-vis spectrophotometer at room temperature. X-ray photoelectron spectroscopy (XPS) confirmed high purity of the ZnO nanorods. The hydrogen sensor made of the ZnO nanorods showed reversible response. The hydrogen gas tests were carried out in presence of ambient air and the influence of operation temperature on the hydrogen gas sensing property of ZnO nanorods was also investigated.

Electronic properties of hexagonal gallium phosphide: A DFT investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Vipin; Shah, Esha V.; Roy, Debesh R., E-mail: drr@ashd.svnit.ac.in

2016-05-23

A detail density functional investigation is performed to develop hexagonal 2D gallium phosphide material. The geometry, band structure and density of states (total and projected) of 2D hexagonal GaP are reported in detail. It is heartening to note that the developed material is identified as an indirect band gap semiconductor. The indirect gap for this material is predicted as 1.97 eV at K-Γ, and a direct gap of 2.28 eV at K point is achieved, which is very close to the reported direct band gap for zinc blende and buckled structures of GaP.

Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk

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.

Computational study of packing a collagen-like molecule: quasi-hexagonal vs "Smith" collagen microfibril model.

PubMed

Lee, J; Scheraga, H A; Rackovsky, S

1996-01-01

The lateral packing of a collagen-like molecule, CH3CO-(Gly-L-Pro-L-Pro)4-NHCH3, has been examined by energy minimization with the ECEPP/3 force field. Two current packing models, the Smith collagen microfibril twisted equilateral pentagonal model and the quasi-hexagonal packing model, have been extensively investigated. In treating the Smith microfibril model, energy minimization was carried out on various conformations including those with the symmetry of equivalent packing, i.e., in which the triple helices were arranged equivalently with respect to each other. Both models are based on the experimental observation of the characteristic axial periodicity, D = 67 nm, of light and dark bands, indicating that, if any superstructure exists, it should consist of five triple helices. The quasi-hexagonal packing structure is found to be energetically more favorable than the Smith microfibril model by as much as 31.2 kcal/mol of five triple helices. This is because the quasi-hexagonal packing geometry provides more nonbonded interaction possibilities between triple helices than does the Smith microfibril geometry. Our results are consistent with recent x-ray studies with synthetic collagen-like molecules and rat tail tendon, in which the data were interpreted as being consistent with either a quasi-hexagonal or a square-triangular structure.

Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach

NASA Astrophysics Data System (ADS)

Sadhukhan, B.; Nayak, A.; Mookerjee, A.

2017-12-01

In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from π and π* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, τ (ěc {q}) of ěc {q} labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

Formation of hexagonal and cubic ice during low-temperature growth

PubMed Central

Thürmer, Konrad; Nie, Shu

2013-01-01

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. PMID:23818592

Investigation of negative permeability metamaterials for wireless power transfer

NASA Astrophysics Data System (ADS)

Xin, Wenhui; Mi, Chunting Chris; He, Fei; Jiang, Meng; Hua, Dengxin

2017-11-01

In order to enhance the transmission efficiency of wireless power transfer (WPT), a negative permeability metamaterials (NPM) with a structure of honeycomb composed by units of hexagon-shaped spirals copper is proposed in this paper. The unit parameters of the NPM are optimized, to make sure the negative permeability at the special frequency. The S-parameters of the designed NPM are measured by a network analyzer and the permeability is extracted, it shows the honeycomb NPM has a negative permeability at 6.43 MHz. A two-coil WPT is setup and the transmission efficiency of WPT embedded with NPM at the different position and with different structure are investigated. The measured results show that the 2-slab honeycomb NPM have a good perform compared with the 1-slab NPM, and the efficiency can be increased up to 51%. The results show that honeycomb NPM embedded in the WPT help to improve the transmission efficiency remarkable.

Facile Control of the Porous Structure of Larch-Derived Mesoporous Carbons via Self-Assembly for Supercapacitors

PubMed Central

Zhao, Xin; Li, Wei; Chen, Honglei; Wang, Shoujuan; Kong, Fangong; Liu, Shouxin

2017-01-01

Mesoporous carbons have been successfully synthesized via self-assembly using larch-based resins as precursors and triblock copolymers as soft templates. The porous structure of mesoporous carbons can be tailored by adjusting the ratio of hydrophilic/hydrophobic (EO/PO) units owing to interfacial curvature. Interestingly, the porous structures show a distinct change from vortex-like to worm-like pores, to stripe-like pores, and to ordered two-dimensional hexagonal pores as the ratio of hydrophilic/hydrophobic units increases, indicating the significant effect of EO/PO ratio on the porous structure. The mesoporous carbons as supercapacitor electrodes exhibit superior electrochemical capacitive performance and a high degree of reversibility after 2000 cycles for supercapacitors due to the well-defined mesoporosity of the carbon materials. Meanwhile, the superior carbon has a high specific capacitance of 107 F·g−1 in 6 M KOH at a current density of 10 A·g−1. PMID:29156641

Facile Control of the Porous Structure of Larch-Derived Mesoporous Carbons via Self-Assembly for Supercapacitors.

PubMed

Zhao, Xin; Li, Wei; Chen, Honglei; Wang, Shoujuan; Kong, Fangong; Liu, Shouxin

2017-11-20

Mesoporous carbons have been successfully synthesized via self-assembly using larch-based resins as precursors and triblock copolymers as soft templates. The porous structure of mesoporous carbons can be tailored by adjusting the ratio of hydrophilic/hydrophobic (EO/PO) units owing to interfacial curvature. Interestingly, the porous structures show a distinct change from vortex-like to worm-like pores, to stripe-like pores, and to ordered two-dimensional hexagonal pores as the ratio of hydrophilic/hydrophobic units increases, indicating the significant effect of EO/PO ratio on the porous structure. The mesoporous carbons as supercapacitor electrodes exhibit superior electrochemical capacitive performance and a high degree of reversibility after 2000 cycles for supercapacitors due to the well-defined mesoporosity of the carbon materials. Meanwhile, the superior carbon has a high specific capacitance of 107 F·g -1 in 6 M KOH at a current density of 10 A·g -1 .

Multiple-component covalent organic frameworks

PubMed Central

Huang, Ning; Zhai, Lipeng; Coupry, Damien E.; Addicoat, Matthew A.; Okushita, Keiko; Nishimura, Katsuyuki; Heine, Thomas; Jiang, Donglin

2016-01-01

Covalent organic frameworks are a class of crystalline porous polymers that integrate molecular building blocks into periodic structures and are usually synthesized using two-component [1+1] condensation systems comprised of one knot and one linker. Here we report a general strategy based on multiple-component [1+2] and [1+3] condensation systems that enable the use of one knot and two or three linker units for the synthesis of hexagonal and tetragonal multiple-component covalent organic frameworks. Unlike two-component systems, multiple-component covalent organic frameworks feature asymmetric tiling of organic units into anisotropic skeletons and unusually shaped pores. This strategy not only expands the structural complexity of skeletons and pores but also greatly enhances their structural diversity. This synthetic platform is also widely applicable to multiple-component electron donor–acceptor systems, which lead to electronic properties that are not simply linear summations of those of the conventional [1+1] counterparts. PMID:27460607

Multiple-component covalent organic frameworks

NASA Astrophysics Data System (ADS)

Huang, Ning; Zhai, Lipeng; Coupry, Damien E.; Addicoat, Matthew A.; Okushita, Keiko; Nishimura, Katsuyuki; Heine, Thomas; Jiang, Donglin

2016-07-01

Covalent organic frameworks are a class of crystalline porous polymers that integrate molecular building blocks into periodic structures and are usually synthesized using two-component [1+1] condensation systems comprised of one knot and one linker. Here we report a general strategy based on multiple-component [1+2] and [1+3] condensation systems that enable the use of one knot and two or three linker units for the synthesis of hexagonal and tetragonal multiple-component covalent organic frameworks. Unlike two-component systems, multiple-component covalent organic frameworks feature asymmetric tiling of organic units into anisotropic skeletons and unusually shaped pores. This strategy not only expands the structural complexity of skeletons and pores but also greatly enhances their structural diversity. This synthetic platform is also widely applicable to multiple-component electron donor-acceptor systems, which lead to electronic properties that are not simply linear summations of those of the conventional [1+1] counterparts.

Magnetic ground state of the multiferroic hexagonal LuFe O3

NASA Astrophysics Data System (ADS)

Suresh, Pittala; Vijaya Laxmi, K.; Bera, A. K.; Yusuf, S. M.; Chittari, Bheema Lingam; Jung, Jeil; Anil Kumar, P. S.

2018-05-01

The structural, electric, and magnetic properties of bulk hexagonal LuFe O3 are investigated. Single phase hexagonal LuFe O3 has been successfully stabilized in the bulk form without any doping by sol-gel method. The hexagonal crystal structure with P 63c m space group has been confirmed by x-ray-diffraction, neutron-diffraction, and Raman spectroscopy study at room temperature. Neutron diffraction confirms the hexagonal phase of LuFe O3 persists down to 6 K. Further, the x-ray photoelectron spectroscopy established the 3+ oxidation state of Fe ions. The temperature-dependent magnetic dc susceptibility, specific heat, and neutron-diffraction studies confirm an antiferromagnetic ordering below the Néel temperature (TN)˜130 K . Analysis of magnetic neutron-diffraction patterns reveals an in-plane (a b -plane) 120∘ antiferromagnetic structure, characterized by a propagation vector k =(0 0 0 ) with an ordered moment of 2.84 μB/F e3 + at 6 K. The 120∘ antifferomagnetic ordering is further confirmed by spin-orbit coupling density functional theory calculations. The on-site coulomb interaction (U ) and Hund's parameter (JH) on Fe atoms reproduced the neutron-diffraction Γ1 spin pattern among the Fe atoms. P -E loop measurements at room temperature confirm an intrinsic ferroelectricity of the sample with remnant polarization Pr˜0.18 μ C /c m2 . A clear anomaly in the dielectric data is observed at ˜TN revealing the presence of magnetoelectric coupling. A change in the lattice constants at TN has also been found, indicating the presence of a strong magnetoelastic coupling. Thus a coupling between lattice, electric, and magnetic degrees of freedom is established in bulk hexagonal LuFe O3 .