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Sample records for two-dimensional 2d structural

  1. Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

    Science.gov (United States)

    Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

    2016-11-01

    The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the PLGA main chain were induced by deprotonation of the carboxylic acid side group.

  2. Two-Dimensional Gel Electrophoresis and 2D-DIGE.

    Science.gov (United States)

    Meleady, Paula

    2018-01-01

    Two-dimensional polyacrylamide gel electrophoresis (2D-PAGE) continues to be one of the most versatile and widely used techniques to study the proteome of a biological system. In particular, a modified version of 2D-PAGE, two-dimensional difference gel electrophoresis (2D-DIGE), which uses differential labeling of protein samples with up to three fluorescent tags, offers greater sensitivity and reproducibility over conventional 2D-PAGE gels for differential quantitative analysis of protein expression between experimental groups. Both these methods have distinct advantages in the separation and identification of thousands of individual proteins species including protein isoforms and post-translational modifications. This review will discuss the principles of 2D-PAGE and 2D-DIGE including limitations to the methods. 2D-PAGE and 2D-DIGE continue to be popular methods in bioprocessing-related research (particularly on recombinant Chinese hamster ovary cells), which will also be discussed in the review chapter.

  3. Two-Dimensional (2D) Polygonal Electromagnetic Cloaks

    Institute of Scientific and Technical Information of China (English)

    LI Chao; YAO Kan; LI Fang

    2009-01-01

    Transformation optics offers remarkable control over electromagnetic fields and opens an exciting gateway to design 'invisible cloak devices' recently.We present an important class of two-dimensional (2D) cloaks with polygon geometries.Explicit expressions of transformed medium parameters are derived with their unique properties investigated.It is found that the elements of diagonalized permittivity tensors are always positive within an irregular polygon cloak besides one element diverges to plus infinity and the other two become zero at the inner boundary.At most positions,the principle axes of permittivity tensors do not align with position vectors.An irregular polygon cloak is designed and its invisibility to external electromagnetic waves is numerically verified.Since polygon cloaks can be tailored to resemble any objects,the transformation is finally generalized to the realization of 2D cloaks with arbitrary geometries.

  4. Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.

    Science.gov (United States)

    Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang

    2015-09-08

    Three new two-dimensional (2D) Hofmann-type coordination polymers with general formula [Fe(3-NH2py)2M(CN)4] (3-NH2py = 3-aminopyridine, M = Ni (1), Pd (2), Pt (3)) have been synthesized. Magnetic susceptibility measurements show that they exhibited cooperative spin crossover (SCO) with remarkable hysteretic behaviors. Their hysteresis widths are 25, 37, and 30 K for 1-3, respectively. The single-crystal structure of 1 suggest that the pseudo-octahedral Fe sites are equatorially bridged by [M(CN)4](2-) to form 2D grids and axially coordinated by 3-NH2py ligands. The intermolecular interactions between layers (the offset face-to-face π···π interactions, hydrogen bonds, and weak N(amino)···Ni(II) contacts) together with the covalent bonds bridged by [M(CN)4](2-) units are responsible to the significant cooperativity.

  5. Two-dimensional Fourier transform ESR in the slow-motional and rigid limits: 2D-ELDOR

    Science.gov (United States)

    Patyal, Baldev R.; Crepeau, Richard H.; Gamliel, Dan; Freed, Jack H.

    1990-12-01

    The two-dimensional Fourier transform ESP techniques of stimulated SECSY and 2D-ELDOR are shown to be powerful methods for the study of slow motions for nitroxides. Stimulated SECSY provides magnetization transfer rates, whereas 2D-ELDOR displays how the rotational motions spread the spins out from their initial spectral positions to new spectral positions, as a function of mixing time. The role of nuclear modulation in studies of structure and dynamics is also considered.

  6. Status for the two-dimensional Navier-Stokes solver EllipSys2D

    DEFF Research Database (Denmark)

    Bertagnolio, F.; Sørensen, Niels N.; Johansen, J.

    2001-01-01

    This report sets up an evaluation of the two-dimensional Navier-Stokes solver EllipSys2D in its present state. This code is used for blade aerodynamics simulations in the Aeroelastic Design group at Risø. Two airfoils are investigated by computing theflow at several angles of attack ranging from...... the linear to the stalled region. The computational data are compared to experimental data and numerical results from other computational codes. Several numerical aspects are studied, as mesh dependency,convective scheme, steady state versus unsteady computations, transition modelling. Some general...... conclusions intended to help in using this code for numerical simulations are given....

  7. Bill2d -- a software package for classical two-dimensional Hamiltonian systems

    CERN Document Server

    Solanpää, Janne; Räsänen, Esa

    2016-01-01

    We present Bill2d, a modern and efficient C++ package for classical simulations of two-dimensional Hamiltonian systems. Bill2d can be used for various billiard and diffusion problems with one or more charged particles with interactions, different external potentials, an external magnetic field, periodic and open boundaries, etc. The software package can also calculate many key quantities in complex systems such as Poincar\\'e sections, survival probabilities, and diffusion coefficients. While aiming at a large class of applicable systems, the code also strives for ease-of-use, efficiency, and modularity for the implementation of additional features. The package comes along with a user guide, a developer's manual, and a documentation of the application program interface (API).

  8. BILL2D - A software package for classical two-dimensional Hamiltonian systems

    Science.gov (United States)

    Solanpää, J.; Luukko, P. J. J.; Räsänen, E.

    2016-02-01

    We present BILL2D, a modern and efficient C++ package for classical simulations of two-dimensional Hamiltonian systems. BILL2D can be used for various billiard and diffusion problems with one or more charged particles with interactions, different external potentials, an external magnetic field, periodic and open boundaries, etc. The software package can also calculate many key quantities in complex systems such as Poincaré sections, survival probabilities, and diffusion coefficients. While aiming at a large class of applicable systems, the code also strives for ease-of-use, efficiency, and modularity for the implementation of additional features. The package comes along with a user guide, a developer's manual, and a documentation of the application program interface (API).

  9. Removal of interfering substances in samples prepared for two-dimensional (2-D) electrophoresis.

    Science.gov (United States)

    Berkelman, Tom

    2008-01-01

    Biological samples may contain contaminants that interfere with analysis by two-dimensional (2-D) electrophoresis. Lysates or biological fluids are complex mixtures that contain a wide variety of nonprotein substances in addition to the proteins to be analyzed. These substances often interfere with the resolution of the electrophoretic separation or the visualization of the result. Macromolecules (e.g., polysaccharides and DNA) can interfere with electrophoretic separation by clogging gel pores. Small ionic molecules can impair isoelectric focusing (IEF) separation by rendering the sample too conductive. Other substances (e.g., phenolics and lipids) can bind to proteins, influencing their electrophoretic properties or solubility. In many cases, measures to remove interfering substances can result in significantly clearer 2-D patterns with more visible spots and better resolution. It should be borne in mind, however, that analysis of samples by 2-D electrophoresis is usually most successful and informative when performed with minimally processed samples, so it is important that any steps taken to remove interfering substance be appropriate to the sample and only performed when necessary. Procedures for the removal of interfering substances therefore represent a compromise between removing nonprotein contaminants, and minimizing interference with the integrity and relative abundances of the sample proteins. This chapter presents a number of illustrative examples of optimized sample preparation methods in which specific interfering substances are removed by a variety of different strategies.

  10. MULTI2D - a computer code for two-dimensional radiation hydrodynamics

    Science.gov (United States)

    Ramis, R.; Meyer-ter-Vehn, J.; Ramírez, J.

    2009-06-01

    Simulation of radiation hydrodynamics in two spatial dimensions is developed, having in mind, in particular, target design for indirectly driven inertial confinement energy (IFE) and the interpretation of related experiments. Intense radiation pulses by laser or particle beams heat high-Z target configurations of different geometries and lead to a regime which is optically thick in some regions and optically thin in others. A diffusion description is inadequate in this situation. A new numerical code has been developed which describes hydrodynamics in two spatial dimensions (cylindrical R-Z geometry) and radiation transport along rays in three dimensions with the 4 π solid angle discretized in direction. Matter moves on a non-structured mesh composed of trilateral and quadrilateral elements. Radiation flux of a given direction enters on two (one) sides of a triangle and leaves on the opposite side(s) in proportion to the viewing angles depending on the geometry. This scheme allows to propagate sharply edged beams without ray tracing, though at the price of some lateral diffusion. The algorithm treats correctly both the optically thin and optically thick regimes. A symmetric semi-implicit (SSI) method is used to guarantee numerical stability. Program summaryProgram title: MULTI2D Catalogue identifier: AECV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 151 098 No. of bytes in distributed program, including test data, etc.: 889 622 Distribution format: tar.gz Programming language: C Computer: PC (32 bits architecture) Operating system: Linux/Unix RAM: 2 Mbytes Word size: 32 bits Classification: 19.7 External routines: X-window standard library (libX11.so) and corresponding heading files (X11/*.h) are

  11. Two dimensional electron spin resonance: Structure and dynamics of biomolecules

    Science.gov (United States)

    Saxena, Sunil; Freed, Jack H.

    1998-03-01

    The potential of two dimensional (2D) electron spin resonance (ESR) for measuring the structural properties and slow dynamics of labeled biomolecules will be presented. Specifically, it will be shown how the recently developed method of double quantum (DQ) 2D ESR (S. Saxena and J. H. Freed, J. Chem. Phys. 107), 1317, (1997) can be used to measure large interelectron distances in bilabeled peptides. The need for DQ ESR spectroscopy, as well as the challenges and advantages of this method will be discussed. The elucidation of the slow reorientational dynamics of this peptide (S. Saxena and J. H. Freed, J. Phys. Chem. A, 101) 7998 (1997) in a glassy medium using COSY and 2D ELDOR ESR spectroscopy will be demonstrated. The contributions to the homogeneous relaxation time, T_2, from the overall and/or internal rotations of the nitroxide can be distinguished from the COSY spectrum. The growth of spectral diffusion cross-peaks^2 with mixing time in the 2D ELDOR spectra can be used to directly determine a correlation time from the experiment which can be related to the rotational correlation time.

  12. PRONTO 2D: A two-dimensional transient solid dynamics program

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, L.M.; Flanagan, D.P.

    1987-03-01

    PRONTO 2D is a two-dimensional transient solid dynamics code for analyzing large deformations of highly nonlinear materials subjected to extremely high strain rates. This Lagrangian finite element program uses an explicit time integration operator to integrate the equations of motion. Four node uniform strain quadrilateral elements are used in the finite element formulation. A number of new numerical algorithms which have been developed for the code are described in this report. An adaptive time step control algorithm is described which greatly improves stability as well as performance in plasticity problems. A robust hourglass control scheme which eliminates hourglass distortions without disturbing the finite element solution is included. All constitutive models in PRONTO are cast in an unrotated configuration defined using the rotation determined from the polar decomposition of the deformation gradient. An accurate incremental algorithm was developed to determine this rotation and is described in detail. A robust contact algorithm was developed which allows for the impact and interaction of deforming contact surfaces of quite general geometry. A number of numerical examples are presented to demonstrate the utility of these algorithms. 41 refs., 51 figs., 5 tabs.

  13. User's Guide for ECAP2D: an Euler Unsteady Aerodynamic and Aeroelastic Analysis Program for Two Dimensional Oscillating Cascades, Version 1.0

    Science.gov (United States)

    Reddy, T. S. R.

    1995-01-01

    This guide describes the input data required for using ECAP2D (Euler Cascade Aeroelastic Program-Two Dimensional). ECAP2D can be used for steady or unsteady aerodynamic and aeroelastic analysis of two dimensional cascades. Euler equations are used to obtain aerodynamic forces. The structural dynamic equations are written for a rigid typical section undergoing pitching (torsion) and plunging (bending) motion. The solution methods include harmonic oscillation method, influence coefficient method, pulse response method, and time integration method. For harmonic oscillation method, example inputs and outputs are provided for pitching motion and plunging motion. For the rest of the methods, input and output for pitching motion only are given.

  14. Canonical structure of 2D black holes

    CERN Document Server

    Navarro-Salas, J; Talavera, C F

    1994-01-01

    We determine the canonical structure of two-dimensional black-hole solutions arising in $2D$ dilaton gravity. By choosing the Cauchy surface appropriately we find that the canonically conjugate variable to the black hole mass is given by the difference of local (Schwarzschild) time translations at right and left spatial infinities. This can be regarded as a generalization of Birkhoff's theorem.

  15. Two-dimensional crystal melting and D4-D2-D0 on toric Calabi-Yau singularities

    CERN Document Server

    Nishinaka, Takahiro; Yoshida, Yutaka

    2013-01-01

    We construct a two-dimensional crystal melting model which reproduces the BPS index of D2-D0 states bound to a non-compact D4-brane on an arbitrary toric Calabi-Yau singularity. The crystalline structure depends on the toric divisor wrapped by the D4-brane. The molten crystals are in one-to-one correspondence with the torus fixed points of the moduli space of the quiver gauge theory on D-branes. The F- and D-term constraints of the gauge theory are regarded as a generalization of the ADHM constraints on instantons. We also show in several examples that our model is consistent with the wall-crossing formula for the BPS index.

  16. Two-Dimensionally-Modulated, Magnetic Structure of Neodymium Metal

    DEFF Research Database (Denmark)

    Lebech, Bente; Bak, P.

    1979-01-01

    The incipient magnetic order of dhcp Nd is described by a two-dimensional, incommensurably modulated structure ("triple-q" structure). The ordering is accompanied by a lattice distortion that forms a similar pattern....

  17. A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tingwen; Zhang, Yongmin

    2013-10-11

    Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve the 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.

  18. WSJointInv2D-MT-DCR: An efficient joint two-dimensional magnetotelluric and direct current resistivity inversion

    Science.gov (United States)

    Amatyakul, Puwis; Vachiratienchai, Chatchai; Siripunvaraporn, Weerachai

    2017-05-01

    An efficient joint two-dimensional direct current resistivity (DCR) and magnetotelluric (MT) inversion, referred to as WSJointInv2D-MT-DCR, was developed with FORTRAN 95 based on the data space Occam's inversion algorithm. Our joint inversion software can be used to invert just the MT data or the DCR data, or invert both data sets simultaneously to get the electrical resistivity structures. Since both MT and DCR surveys yield the same resistivity structures, the two data types enhance each other leading to a better interpretation. Two synthetic and a real field survey are used here to demonstrate that the joint DCR and MT surveys can help constrain each other to reduce the ambiguities occurring when inverting the DCR or MT alone. The DCR data increases the lateral resolution of the near surface structures while the MT data reveals the deeper structures. When the MT apparent resistivity suffers from the static shift, the DCR apparent resistivity can serve as a replacement for the estimation of the static shift factor using the joint inversion. In addition, we also used these examples to show the efficiency of our joint inversion code. With the availability of our new joint inversion software, we expect the number of joint DCR and MT surveys to increase in the future.

  19. Optical properties of two-dimensional (2D) CdSe nanostructures

    Science.gov (United States)

    Cherevkov, S. A.; Baranov, A. V.; Fedorov, A. V.; Litvin, A. P.; Artemyev, M. V.; Prudnikau, A. V.

    2013-09-01

    The resonant and off-resonant Raman spectra of optical phonons in two-dimensional CdSe nanocrystals of 5, 6, and 7 monolayers are analysed. The spectra are dominated by SO and LO phonon bands of CdSe, whose frequencies are thickness-independent in the off-resonant Raman scattering but demonstrate an evident thickness dependence in the case of the resonant Raman scattering.

  20. MARG2D code. 1. Eigenvalue problem for two dimensional Newcomb equation

    Energy Technology Data Exchange (ETDEWEB)

    Tokuda, Shinji [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Watanabe, Tomoko

    1997-10-01

    A new method and a code MARG2D have been developed to solve the 2-dimensional Newcomb equation which plays an important role in the magnetohydrodynamic (MHD) stability analysis in an axisymmetric toroidal plasma such as a tokamak. In the present formulation, an eigenvalue problem is posed for the 2-D Newcomb equation, where the weight function (the kinetic energy integral) and the boundary conditions at rational surfaces are chosen so that an eigenfunction correctly behaves as the linear combination of the small solution and the analytical solutions around each of the rational surfaces. Thus, the difficulty on solving the 2-D Newcomb equation has been resolved. By using the MARG2D code, the ideal MHD marginally stable state can be identified for a 2-D toroidal plasma. The code is indispensable on computing the outer-region matching data necessary for the resistive MHD stability analysis. Benchmark with ERATOJ, an ideal MHD stability code, has been carried out and the MARG2D code demonstrates that it indeed identifies both stable and marginally stable states against ideal MHD motion. (author)

  1. Synchronous two-dimensional MIR correlation spectroscopy (2D-COS) as a novel method for screening smoke tainted wine.

    Science.gov (United States)

    Fudge, Anthea L; Wilkinson, Kerry L; Ristic, Renata; Cozzolino, Daniel

    2013-08-15

    In this study, two-dimensional correlation spectroscopy (2D-COS) combined with mid-infrared (MIR) spectroscopy was evaluated as a novel technique for the identification of spectral regions associated with smoke-affected wine, for the purpose of screening taint arising from grapevine exposure to smoke. Smoke-affected wines obtained from experimental and industry sources were analysed using MIR spectroscopy and chemometrics, and calibration models developed. 2D-COS analysis was used to generate synchronous data maps for red and white cask wines spiked with guaiacol, a marker of smoke taint. Correlations were observed at wavelengths that could be attributable to aromatic C-C stretching, i.e., between 1400 and 1500 cm(-1), indicative of volatile phenols. These results demonstrate the potential of 2D-COS as a rapid, high-throughput technique for the preliminary screening of smoke tainted wine.

  2. Nonlinear excitations in two-dimensional molecular structures with impurities

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth

    1995-01-01

    We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence of the imp......We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....

  3. Optical theorem for two-dimensional (2D) scalar monochromatic acoustical beams in cylindrical coordinates.

    Science.gov (United States)

    Mitri, F G

    2015-09-01

    The optical theorem for plane waves is recognized as one of the fundamental theorems in optical, acoustical and quantum wave scattering theory as it relates the extinction cross-section to the forward scattering complex amplitude function. Here, the optical theorem is extended and generalized in a cylindrical coordinates system for the case of 2D beams of arbitrary character as opposed to plane waves of infinite extent. The case of scalar monochromatic acoustical wavefronts is considered, and generalized analytical expressions for the extinction, absorption and scattering cross-sections are derived and extended in the framework of the scalar resonance scattering theory. The analysis reveals the presence of an interference scattering cross-section term describing the interaction between the diffracted Franz waves with the resonance elastic waves. The extended optical theorem in cylindrical coordinates is applicable to any object of arbitrary geometry in 2D located arbitrarily in the beam's path. Related investigations in optics, acoustics and quantum mechanics will benefit from this analysis in the context of wave scattering theory and other phenomena closely connected to it, such as the multiple scattering by a cloud of particles, as well as the resulting radiation force and torque.

  4. Static Structure of Two-Dimensional Granular Chain

    Institute of Scientific and Technical Information of China (English)

    WEN Ping-Ping; LI Liang-Sheng; ZHENG Ning; SHI Qing-Fan

    2010-01-01

    @@ Static packing structures of two-dimensional granular chains are investigated experimentally.It is shown that the packing density approximates the saturation with the exponential law as the length of chain increases.The packing structures are globally disordered,while the local square crystallization is found by using the radial distribution function.This characteristic phase of chain packing is similar to a liquid crystal state,and has properties between a conventional liquid and solid crystal.

  5. Structure and phase transition of a two-dimensional dusty plasma

    Institute of Scientific and Technical Information of China (English)

    刘斌; 刘艳红; 陈雁萍; 杨思泽; 王龙

    2003-01-01

    The structure and phase transition of a two-dimensional (2D) dusty plasma have been investigated in detail by molecular dynamics simulation. Pair correlation function, static structure factor, mean square displacement, and bond angle correlation function have been calculated to characterize the structural properties. The variation of internal energy, shear modulus, particle trajectories and structural properties with temperature has been monitored to study the phase transition of the 2D dusty plasma system. The simulation results are in favour of a two-step continuous transition for this kind of plasma.

  6. Two-dimensional localized structures in harmonically forced oscillatory systems

    Science.gov (United States)

    Ma, Y.-P.; Knobloch, E.

    2016-12-01

    Two-dimensional spatially localized structures in the complex Ginzburg-Landau equation with 1:1 resonance are studied near the simultaneous presence of a steady front between two spatially homogeneous equilibria and a supercritical Turing bifurcation on one of them. The bifurcation structures of steady circular fronts and localized target patterns are computed in the Turing-stable and Turing-unstable regimes. In particular, localized target patterns grow along the solution branch via ring insertion at the core in a process reminiscent of defect-mediated snaking in one spatial dimension. Stability of axisymmetric solutions on these branches with respect to axisymmetric and nonaxisymmetric perturbations is determined, and parameter regimes with stable axisymmetric oscillons are identified. Direct numerical simulations reveal novel depinning dynamics of localized target patterns in the radial direction, and of circular and planar localized hexagonal patterns in the fully two-dimensional system.

  7. Two-dimensional magnetic ordering in a multilayer structure

    Indian Academy of Sciences (India)

    M K Mukhopadhyay; M K Sanyal

    2006-07-01

    The effect of confinement from one, two or from all three directions on magnetic ordering has remained an active field of research for almost 100 years. The role of dipolar interactions and anisotropy are important to obtain, the otherwise forbidden, ferromagnetic ordering at finite temperature for ions arranged in two-dimensional (2D) arrays (monolayers). We have demonstrated that conventional low-temperature magnetometry and polarized neutron scattering measurements can be performed to study short-range ferromagnetic ordering of in-plane spins in 2D systems using a multilayer stack of non-interacting monolayers of gadolinium ions formed by Langmuir–Blodgett (LB) technique. The spontaneous magnetization could not be detected in the heterogeneous magnetic phase observed here and the saturation value of the net magnetization was found to depend on the sample temperature and applied magnetic field. The net magnetization rises exponentially with lowering temperature and then reaches saturation following a ln( ) dependence. The ln( ) dependence of magnetization has been predicted from spin-wave theory of 2D in-plane spin system with ferromagnetic interaction. The experimental findings reported here could be explained by extending this theory to a temperature domain of < 1.

  8. FireStem2D--a two-dimensional heat transfer model for simulating tree stem injury in fires.

    Directory of Open Access Journals (Sweden)

    Efthalia K Chatziefstratiou

    Full Text Available FireStem2D, a software tool for predicting tree stem heating and injury in forest fires, is a physically-based, two-dimensional model of stem thermodynamics that results from heating at the bark surface. It builds on an earlier one-dimensional model (FireStem and provides improved capabilities for predicting fire-induced mortality and injury before a fire occurs by resolving stem moisture loss, temperatures through the stem, degree of bark charring, and necrotic depth around the stem. We present the results of numerical parameterization and model evaluation experiments for FireStem2D that simulate laboratory stem-heating experiments of 52 tree sections from 25 trees. We also conducted a set of virtual sensitivity analysis experiments to test the effects of unevenness of heating around the stem and with aboveground height using data from two studies: a low-intensity surface fire and a more intense crown fire. The model allows for improved understanding and prediction of the effects of wildland fire on injury and mortality of trees of different species and sizes.

  9. The encoding complexity of two dimensional range minimum data structures

    DEFF Research Database (Denmark)

    Brodal, Gerth Stølting; Brodnik, Andrej; Davoodi, Pooya

    2013-01-01

    In the two-dimensional range minimum query problem an input matrix A of dimension m ×n, m ≤ n, has to be preprocessed into a data structure such that given a query rectangle within the matrix, the position of a minimum element within the query range can be reported. We consider the space complexity...... of the encoding variant of the problem where queries have access to the constructed data structure but can not access the input matrix A, i.e. all information must be encoded in the data structure. Previously it was known how to solve the problem with space O(mn min {m,logn}) bits (and with constant query time...

  10. Band structure of absorptive two-dimensional photonic crystals

    Science.gov (United States)

    van der Lem, Han; Tip, Adriaan; Moroz, Alexander

    2003-06-01

    The band structure for an absorptive two-dimensional photonic crystal made from cylinders consisting of a Drude material is calculated. Absorption causes the spectrum to become complex and form islands in the negative complex half-plane. The boundaries of these islands are not always formed by the eigenvalues calculated for Bloch vectors on the characteristic path, and we find a hole in the spectrum. For realistic parameter values, the real part of the spectrum is hardly influenced by absorption, typically less than 0.25%. The employed method uses a Korringa-Kohn-Rostoker procedure together with analytical continuation. This results in an efficient approach that allows these band-structure calculations to be done on a Pentium III personal computer.

  11. Isolated structures in two-dimensional optical superlattice

    Science.gov (United States)

    Zou, Xin-Hao; Yang, Bao-Guo; Xu, Xia; Tang, Peng-Ju; Zhou, Xiao-Ji

    2017-10-01

    Overlaying commensurate optical lattices with various configurations called superlattices can lead to exotic lattice topologies and, in turn, a discovery of novel physics. In this study, by overlapping the maxima of lattices, a new isolated structure is created, while the interference of minima can generate various "sublattice" patterns. Three different kinds of primitive lattices are used to demonstrate isolated square, triangular, and hexagonal "sublattice" structures in a two-dimensional optical superlattice, the patterns of which can be manipulated dynamically by tuning the polarization, frequency, and intensity of laser beams. In addition, we propose the method of altering the relative phase to adjust the tunneling amplitudes in "sublattices". Our configurations provide unique opportunities to study particle entanglement in "lattices" formed by intersecting wells and to implement special quantum logic gates in exotic lattice geometries.

  12. Isolated Structures in Two-Dimensional Optical Superlattice

    CERN Document Server

    Zou, Xinhao; Xu, Xia; Tang, Pengju; Zhou, Xiaoji

    2016-01-01

    Overlaying commensurate optical lattices with various configurations called superlattices can lead to exotic lattice topologies and, in turn, a discovery of novel physics. In this study, by overlapping the maxima of lattices, a new isolated structure is created, while the interference of minima can generate various "sublattice" patterns. Three different kinds of primitive lattices are used to demonstrate isolated square, triangular, and hexagonal "sublattice" structures in a two-dimensional optical superlattice, the patterns of which can be manipulated dynamically by tuning the polarization, frequency, and intensity of laser beams. In addition, we propose the method of altering the relative phase to adjust the tunneling amplitudes in "sublattices." Our configurations provide unique opportunities to study particle entanglement in "lattices" formed by intersecting wells and to implement special quantum logic gates in exotic lattice geometries.

  13. Study on electro-optic properties of two-dimensional PLZT photonic crystal band structure

    Institute of Scientific and Technical Information of China (English)

    TONG Kai; WU Xiao-gang; WANG Mei-ting

    2011-01-01

    The band characteristics of two-dimensional (2D) lead lanthanum zirconate titanate (PLZT) photonic cystals are analyzed by finite element method. The electro-optic effect of PLZT can cause the refractive index change when it is imposed by the applied electric field, and the band structure of 2D photonic crystals based on PLZT varies accordingly. The effect of the applied electric field on the structural characteristics of the first and second band gaps in 2D PLZT photonic crystals is analyzed in detail. And the results show that for each band gap, the variations of start wavelength, cut-off wavelength and bandwidth are proportional to quadratic of the electric field.

  14. Flexible Two-Dimensional Square-Grid Coordination Polymers: Structures and Functions

    Science.gov (United States)

    Kajiro, Hiroshi; Kondo, Atsushi; Kaneko, Katsumi; Kanoh, Hirofumi

    2010-01-01

    Coordination polymers (CPs) or metal-organic frameworks (MOFs) have attracted considerable attention because of the tunable diversity of structures and functions. A 4,4′-bipyridine molecule, which is a simple, linear, exobidentate, and rigid ligand molecule, can construct two-dimensional (2D) square grid type CPs. Only the 2D-CPs with appropriate metal cations and counter anions exhibit flexibility and adsorb gas with a gate mechanism and these 2D-CPs are called elastic layer-structured metal-organic frameworks (ELMs). Such a unique property can make it possible to overcome the dilemma of strong adsorption and easy desorption, which is one of the ideal properties for practical adsorbents. PMID:21152303

  15. Flexible Two-Dimensional Square-Grid Coordination Polymers: Structures and Functions

    Directory of Open Access Journals (Sweden)

    Hiroshi Kajiro

    2010-09-01

    Full Text Available Coordination polymers (CPs or metal-organic frameworks (MOFs have attracted considerable attention because of the tunable diversity of structures and functions. A 4,4'-bipyridine molecule, which is a simple, linear, exobidentate, and rigid ligand molecule, can construct two-dimensional (2D square grid type CPs. Only the 2D-CPs with appropriate metal cations and counter anions exhibit flexibility and adsorb gas with a gate mechanism and these 2D-CPs are called elastic layer-structured metal-organic frameworks (ELMs. Such a unique property can make it possible to overcome the dilemma of strong adsorption and easy desorption, which is one of the ideal properties for practical adsorbents.

  16. Structure and computation of two-dimensional incompressible extended MHD

    CERN Document Server

    Grasso, D; Abdelhamid, H M; Morrison, P J

    2016-01-01

    A comprehensive study of a reduced version of Lust's equations, the extended magnetohydrodynamic (XMHD) model obtained from the two-fluid theory for electrons and ions with the enforcement of quasineutrality, is given. Starting from the Hamiltonian structure of the fully three-dimensional theory, a Hamiltonian two-dimensional incompressible four-field model is derived. In this way energy conservation along with four families of Casimir invariants are naturally obtained. The construction facilitates various limits leading to the Hamiltonian forms of Hall, inertial, and ideal MHD, with their conserved energies and Casimir invariants. Basic linear theory of the four-field model is treated, and the growth rate for collisionless reconnection is obtained. Results from nonlinear simulations of collisionless tearing are presented and interpreted using, in particular normal fields, a product of the Hamiltonian theory that gives rise to simplified equations of motion.

  17. Structure and computation of two-dimensional incompressible extended MHD

    Science.gov (United States)

    Grasso, D.; Tassi, E.; Abdelhamid, H. M.; Morrison, P. J.

    2017-01-01

    A comprehensive study of the extended magnetohydrodynamic model obtained from the two-fluid theory for electrons and ions with the enforcement of quasineutrality is given. Starting from the Hamiltonian structure of the fully three-dimensional theory, a Hamiltonian two-dimensional incompressible four-field model is derived. In this way, the energy conservation along with four families of Casimir invariants is naturally obtained. The construction facilitates various limits leading to the Hamiltonian forms of Hall, inertial, and ideal MHD, with their conserved energies and Casimir invariants. Basic linear theory of the four-field model is treated, and the growth rate for collisionless reconnection is obtained. Results from nonlinear simulations of collisionless tearing are presented and interpreted using, in particular, normal fields, a product of the Hamiltonian theory that gives rise to simplified equations of motion.

  18. Two-dimensional dynamics of a free molecular chain with a secondary structure

    DEFF Research Database (Denmark)

    Zolotaryuk, Alexander; Christiansen, Peter Leth; Savin, A.V.

    1996-01-01

    A simple two-dimensional (2D) model of an isolated (free) molecular chain with primary and secondary structures has been suggested and investigated both analytically and numerically. This model can be considered as the simplest generalization of the well-known Fermi-Pasta-Ulam model...... of an anharmonic chain in order to include transverse degrees of freedom of the chain molecules. Both the structures are provided by the first- and second-neighbor intermolecular bonds, respectively, resulting in a regular zig-zag (''20 helix'') chain on a plane. The set of two coupled nonlinear field equations...

  19. Two-dimensional structure in a generic model of triangular proteins and protein trimers.

    Science.gov (United States)

    Camp, Philip J; Duncan, Peter D

    2006-04-01

    Motivated by the diversity and complexity of two-dimensional (2D) crystals formed by triangular proteins and protein trimers, we have investigated the structures and phase behavior of hard-disk trimers. In order to mimic specific binding interactions, each trimer possesses an "attractive" disk which can interact with similar disks on other trimers via an attractive square-well potential. At low density and low temperature, the fluid phase mainly consists of tetramers, pentamers, or hexamers. Hexamers provide the structural motif for a high-density, low-temperature periodic solid phase, but we also identify a metastable periodic structure based on a tetramer motif. At high density there is a transition between orientationally ordered and disordered solid phases. The connections between simulated structures and those of 2D protein crystals--as seen in electron microscopy--are briefly discussed.

  20. Terahertz spectroscopy of two-dimensional subwavelength plasmonic structures

    Energy Technology Data Exchange (ETDEWEB)

    Azad, Abul K [Los Alamos National Laboratory; Chen, Houtong [Los Alamos National Laboratory; Taylor, Antoinette [Los Alamos National Laboratory; O' Hara, John F [Los Alamos National Laboratory; Han, Jiaguang [OSU; Lu, Xinchao [OSU; Zhang, Weili [OSU

    2009-01-01

    The fascinating properties of plasmonic structures have had significant impact on the development of next generation ultracompact photonic and optoelectronic components. We study two-dimensional plasmonic structures functioning at terahertz frequencies. Resonant terahertz response due to surface plasmons and dipole localized surface plasmons were investigated by the state-of-the-art terahertz time domain spectroscopy (THz-TDS) using both transmission and reflection configurations. Extraordinary terahertz transmission was demonstrated through the subwavelength metallic hole arrays made from good conducting metals as well as poor metals. Metallic arrays m!lde from Pb, generally a poor metal, and having optically thin thicknesses less than one-third of a skin depth also contributed in enhanced THz transmission. A direct transition of a surface plasmon resonance from a photonic crystal minimum was observed in a photo-doped semiconductor array. Electrical controls of the surface plasmon resonances by hybridization of the Schottkey diode between the metallic grating and the semiconductor substrate are investigated as a function of the applied reverse bias. In addition, we have demonstrated photo-induced creation and annihilation of surface plasmons with appropriate semiconductors at room temperature. According to the Fano model, the transmission properties are characterized by two essential contributions: resonant excitation of surface plasmons and nonresonant direct transmission. Such plasmonic structures may find fascinating applications in terahertz imaging, biomedical sensing, subwavelength terahertz spectroscopy, tunable filters, and integrated terahertz devices.

  1. Solitary wave propagation through two-dimensional treelike structures.

    Science.gov (United States)

    Falls, William J; Sen, Surajit

    2014-02-01

    It is well known that a velocity perturbation can travel through a mass spring chain with strongly nonlinear interactions as a solitary and antisolitary wave pair. In recent years, nonlinear wave propagation in 2D structures have also been explored. Here we first consider the propagation of such a velocity perturbation for cases where the system has a 2D "Y"-shaped structure. Here each of the three pieces that make up the "Y" are made of a small mass spring chain. In addition, we consider a case where multiple "Y"-shaped structures are used to generate a "tree." We explore the early time dynamical behavior associated with the propagation of a velocity perturbation initiated at the trunk and at the extremities for both cases. We are looking for the energy transmission properties from one branch to another of these "Y"-shaped structures. Our dynamical simulations suggest the following broad observations: (i) for strongly nonlinear interactions, mechanical energy propagation resembles pulse propagation with the energy propagation being dispersive in the linear case; (ii) for strong nonlinear interactions, the tree-like structure acts as an energy gate showing preference for large perturbations in the system while the behavior of the linear case shows no such preference, thereby suggesting that such structures can possibly act as switches that activate at sufficiently high energies. The study aspires to develop insights into the nature of nonlinear wave propagation through a network of linear chains.

  2. Generating a 2D Representation of a Complex Data Structure

    Science.gov (United States)

    James, Mark

    2006-01-01

    A computer program, designed to assist in the development and debugging of other software, generates a two-dimensional (2D) representation of a possibly complex n-dimensional (where n is an integer >2) data structure or abstract rank-n object in that other software. The nature of the 2D representation is such that it can be displayed on a non-graphical output device and distributed by non-graphical means.

  3. Electrical Oscillations in Two-Dimensional Microtubular Structures

    Science.gov (United States)

    Cantero, María Del Rocío; Perez, Paula L.; Smoler, Mariano; Villa Etchegoyen, Cecilia; Cantiello, Horacio F.

    2016-06-01

    Microtubules (MTs) are unique components of the cytoskeleton formed by hollow cylindrical structures of αβ tubulin dimeric units. The structural wall of the MT is interspersed by nanopores formed by the lateral arrangement of its subunits. MTs are also highly charged polar polyelectrolytes, capable of amplifying electrical signals. The actual nature of these electrodynamic capabilities remains largely unknown. Herein we applied the patch clamp technique to two-dimensional MT sheets, to characterize their electrical properties. Voltage-clamped MT sheets generated cation-selective oscillatory electrical currents whose magnitude depended on both the holding potential, and ionic strength and composition. The oscillations progressed through various modes including single and double periodic regimes and more complex behaviours, being prominent a fundamental frequency at 29 Hz. In physiological K+ (140 mM), oscillations represented in average a 640% change in conductance that was also affected by the prevalent anion. Current injection induced voltage oscillations, thus showing excitability akin with action potentials. The electrical oscillations were entirely blocked by taxol, with pseudo Michaelis-Menten kinetics and a KD of ~1.29 μM. The findings suggest a functional role of the nanopores in the MT wall on the genesis of electrical oscillations that offer new insights into the nonlinear behaviour of the cytoskeleton.

  4. Structural Transformations in Two-Dimensional Transition-Metal Dichalcogenide MoS2 under an Electron Beam

    DEFF Research Database (Denmark)

    Kretschmer, Silvan; Komsa, Hannu-Pekka; Bøggild, Peter

    2017-01-01

    The polymorphism of two-dimensional (w2D) transition-metal dichalcogenides (TMDs) and different electronic properties of the polymorphs make TMDs particularly promising materials in the context of applications in electronics. Recently, local transformations from the semiconducting trigonal prisma...... development and optimization of electron-beam-mediated engineering of the atomic structure and electronic properties of 2D TMDs with subnanometer resolution.......The polymorphism of two-dimensional (w2D) transition-metal dichalcogenides (TMDs) and different electronic properties of the polymorphs make TMDs particularly promising materials in the context of applications in electronics. Recently, local transformations from the semiconducting trigonal...... prismatic H phase to the metallic octahedral T phase in 2D MoS2 have been induced by electron irradiation [Nat. Nanotech. 2014, 9, 391], but the mechanism of the transformations remains elusive. Using density functional theory calculations, we study the energetics of the stable and metastable phases of 2D...

  5. Near-infrared (NIR) imaging analysis of polylactic acid (PLA) nanocomposite by multiple-perturbation two-dimensional (2D) correlation spectroscopy

    Science.gov (United States)

    Shinzawa, Hideyuki; Murakami, Takurou N.; Nishida, Masakazu; Kanematsu, Wataru; Noda, Isao

    2014-07-01

    Multiple-perturbation two-dimensional (2D) correlation spectroscopy was applied to sets of near-infrared (NIR) imaging data of polylactic acid (PLA) nanocomposite samples undergoing UV degradation. Incorporation of clay nanoparticles substantially lowers the surface free energy barrier for the nucleation of PLA and eventually increases the frequency of the spontaneous nucleation of PLA crystals. Thus, when exposed to external stimuli such as UV light, PLA nanocomposite may show different structure alternation depending on the clay dispersion. Multiple-perturbation 2D correlation analysis of the PLA nanocomposite samples revealed different spatial variation between crystalline and amorphous structure of PLA, and the phenomenon especially becomes acute in the region where the clay particles are coagulated. The incorporation of the clay leads to the cleavage-induced crystallization of PLA when the sample is subjected to the UV light. The additional development of the ordered crystalline structure then works favorably to restrict the initial degradation of the polymer, providing the delay in the weight loss of the PLA.

  6. Near-infrared (NIR) monitoring of Nylon 6 during quenching studied by projection two-dimensional (2D) correlation spectroscopy

    Science.gov (United States)

    Shinzawa, Hideyuki; Mizukado, Junji

    2016-11-01

    Evolutionary change in supermolecular structure of Nylon 6 during its melt-quenched process was studied by Near-infrared (NIR) spectroscopy. Time-resolved NIR spectra was measured by taking the advantage of high-speed NIR monitoring based on an acousto-optic tunable filter (AOTF). Fine spectral features associated with the variation of crystalline and amorphous structure occurring in relatively short time scale were readily captured. For example, synchronous and asynchronous 2D correlation spectra reveal the initial decrease in the contribution of the NIR band at 1485 nm due to the amorphous structure, predominantly existing in the melt Nylon 6. This is then followed by the emerging contribution of the band intensity at 1535 nm associated with the crystalline structure. Consequently, the results clearly demonstrate a definite advantage of the high-speed NIR monitoring for analyzing fleeting phenomena.

  7. Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Enlai; Xie, Bo [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); Xu, Zhiping, E-mail: xuzp@tsinghua.edu.cn [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2016-01-07

    Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

  8. Noise reduction methods applied to two-dimensional correlation spectroscopy (2D-COS) reveal complementary benefits of pre- and post-treatment.

    Science.gov (United States)

    Foist, Rod B; Schulze, H Georg; Ivanov, Andre; Turner, Robin F B

    2011-05-01

    Two-dimensional correlation spectroscopy (2D-COS) is a powerful spectral analysis technique widely used in many fields of spectroscopy because it can reveal spectral information in complex systems that is not readily evident in the original spectral data alone. However, noise may severely distort the information and thus limit the technique's usefulness. Consequently, noise reduction is often performed before implementing 2D-COS. In general, this is implemented using one-dimensional (1D) methods applied to the individual input spectra, but, because 2D-COS is based on sets of successive spectra and produces 2D outputs, there is also scope for the utilization of 2D noise-reduction methods. Furthermore, 2D noise reduction can be applied either to the original set of spectra before performing 2D-COS ("pretreatment") or on the 2D-COS output ("post-treatment"). Very little work has been done on post-treatment; hence, the relative advantages of these two approaches are unclear. In this work we compare the noise-reduction performance on 2D-COS of pretreatment and post-treatment using 1D (wavelets) and 2D algorithms (wavelets, matrix maximum entropy). The 2D methods generally outperformed the 1D method in pretreatment noise reduction. 2D post-treatment in some cases was superior to pretreatment and, unexpectedly, also provided correlation coefficient maps that were similar to 2D correlation spectroscopy maps but with apparent better contrast.

  9. Effects on the Thermo-Mechanical and Crystallinity Properties of Nylon 6,6 Electrospun Fibres Reinforced with One Dimensional (1D and Two Dimensional (2D Carbon

    Directory of Open Access Journals (Sweden)

    Francisco Medellín-Rodríguez

    2013-08-01

    Full Text Available Electrospun one dimensional (1D and two dimensional (2D carbon based polymer nanocomposites are studied in order to determine the effect provided by the two differently structured nanofillers on crystallinity and thermo-mechanical properties of the nanofibres. The nanomaterials studied are pristine carbon nanotubes, oxidised carbon nanotubes, reduced graphene oxide and graphene oxide. Functional groups associated with the order structure of the polymers are analysed by infrared and Raman spectroscopies; the morphology is studied by scanning electron microscopy and the crystallinity properties are investigated by differential scanning calorimetry and X-ray diffraction. Differences in crystallisation behaviour between 1D and 2D carbon based nanofibres are shown by their crystallinity degree and their crystal sizes. The nanocomposite crystal sizes perpendicular to the plane (100 decrease with nanofiller content in all cases. The crystallinity trend and crystal sizes are in accordance with storage modulus response. The results also suggest that functionalisation favours interfacial bonding and dispersion of the nanomaterials within the polymer matrix. As a consequence the number of nucleating sites increases which in turn decreases the crystal size in the nanocomposites. These features explain the improved thermo-mechanical properties in the nanocomposites.

  10. Two-dimensional correlation spectroscopy (2D-COS) variable selection for near-infrared microscopy discrimination of meat and bone meal in compound feed.

    Science.gov (United States)

    Lü, Chengxu; Chen, Longjian; Yang, Zengling; Liu, Xian; Han, Lujia

    2014-01-01

    This article presents a novel method for combining auto-peak and cross-peak information for sensitive variable selection in synchronous two-dimensional correlation spectroscopy (2D-COS). This variable selection method is then applied to the case of near-infrared (NIR) microscopy discrimination of meat and bone meal (MBM). This is of important practical value because MBM is currently banned in ruminate animal compound feed. For the 2D-COS analysis, a set of NIR spectroscopy data of compound feed samples (adulterated with varying concentrations of MBM) was pretreated using standard normal variate and detrending (SNVD) and then mapped to the 2D-COS synchronous matrix. For the auto-peak analysis, 12 main sensitive variables were identified at 6852, 6388, 6320, 5788, 5600, 5244, 4900, 4768, 4572, 4336, 4256, and 4192 cm(-1). All these variables were assigned their specific spectral structure and chemical component. For the cross-peak analysis, these variables were divided into two groups, each group containing the six sensitive variables. This grouping resulted in a correlation between the spectral variables that was in accordance with the chemical-component content of the MBM and compound feed. These sensitive variables were then used to build a NIR microscopy discrimination model, which yielded a 97% correct classification. Moreover, this method detected the presence of MBM when its concentration was less than 1% in an adulterated compound feed sample. The concentration-dependent 2D-COS-based variable selection method developed in this study has the unique advantages of (1) introducing an interpretive aspect into variable selection, (2) substantially reducing the complexity of the computations, (3) enabling the transferability of the results to discriminant analysis, and (4) enabling the efficient compression of spectral data.

  11. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  12. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  13. Synthesis and structure of two-dimensional transition-metal dichalcogenides

    KAUST Repository

    Shi, Yumeng

    2015-07-13

    Two-dimensional (2D) transition-metal dichalcogenides (TMDCs) exhibit unique electrical, optical, thermal, and mechanical properties, which enable them to be used as building blocks in compact and lightweight integrated electronic systems. The controllable and reliable synthesis of atomically thin TMDCs is essential for their practical application. Recent progress in large-area synthesis of monolayer TMDCs paves the way for practical production of various 2D TMDC layers. The intrinsic optical and electrical properties of monolayer TMDCs can be defined by stoichiometry during synthesis. By manipulating the lattice structure or layer stacking manner, it is possible to create atomically thin van der Waals materials with unique and unexplored physical properties. In this article, we review recent developments in the synthesis of TMDC monolayers, alloys, and heterostructures, which shine light on the design of novel TMDCs with desired functional properties.

  14. Structural analysis of a dipole system in two-dimensional channels.

    Science.gov (United States)

    Haghgooie, Ramin; Doyle, Patrick S

    2004-12-01

    A system of magnetic dipoles in two-dimensional (2D) channels was studied using Brownian dynamics simulations. The dipoles interact with a purely repulsive r(-3) potential and are confined by two hard walls in one of the dimensions. Solid crystals were annealed in the 2D channels and the structural properties of the crystals were investigated. The long-ranged nature of the purely repulsive dipoles combined with the presence of hard walls led to structural deviations from the unbounded (infinite) 2D dipolar crystal. The structures in the channels were characterized by a high density of particles along the walls. The particles along the wall became increasingly localized as the channel width was increased. The spacing of the walls was important in determining the properties of the structures formed in the channel. Small changes in the width of the channel induced significant structural changes in the crystal. These structural changes were manifested in the density profiles, defect concentrations, and local bond-orientation order of the system. Oscillations in the structural properties were observed as the channel width was increased, indicating the existence of magic-number channel widths for this system. As the channel width was increased the properties of the confined system approached those of the unbounded system surprisingly slowly.

  15. A new structure of two-dimensional allotropes of group V elements

    Science.gov (United States)

    Li, Ping; Luo, Weidong

    2016-05-01

    The elemental two-dimensional (2D) materials such as graphene, silicene, germanene, and black phosphorus have attracted considerable attention due to their fascinating physical properties. Structurally they possess the honeycomb or distorted honeycomb lattices, which are composed of six-atom rings. Here we find a new structure of 2D allotropes of group V elements composed of eight-atom rings, which we name as the octagonal tiling (OT) structure. First-principles calculations indicate that these allotropes are dynamically stable and are also thermally stable at temperatures up to 600 K. These allotropes are semiconductors with band gaps ranging from 0.3 to 2.0 eV, thus they are potentially useful in near- and mid-infrared optoelectronic devices. OT-Bi is also a 2D topological insulator (TI) with a band gap of 0.33 eV, which is the largest among the reported elemental 2D TIs, and this gap can be increased further by applying compressive strains.

  16. Band gap structures in two-dimensional super porous phononic crystals.

    Science.gov (United States)

    Liu, Ying; Sun, Xiu-zhan; Chen, Shao-ting

    2013-02-01

    As one kind of new linear cellular alloys (LCAs), Kagome honeycombs, which are constituted by triangular and hexagonal cells, attract great attention due to the excellent performance compared to the ordinary ones. Instead of mechanical investigation, the in-plane elastic wave dispersion in Kagome structures are analyzed in this paper aiming to the multi-functional application of the materials. Firstly, the band structures in the common two-dimensional (2D) porous phononic structures (triangular or hexagonal honeycombs) are discussed. Then, based on these results, the wave dispersion in Kagome honeycombs is given. Through the component cell porosity controlling, the effects of component cells on the whole responses of the structures are investigated. The intrinsic relation between the component cell porosity and the critical porosity of Kagome honeycombs is established. These results will provide an important guidance in the band structure design of super porous phononic crystals.

  17. Photodetectors Based on Two-Dimensional Layer-Structured Hybrid Lead Iodide Perovskite Semiconductors.

    Science.gov (United States)

    Zhou, Jiachen; Chu, Yingli; Huang, Jia

    2016-10-05

    Hybrid lead iodide perovskite semiconductors have attracted intense research interests recently because of their easy fabrication processes and high power conversion efficiencies in photovoltaic applications. Layer-structured materials have interesting properties such as quantum confinement effect and tunable band gap due to the unique two-dimensional crystalline structures. ⟨100⟩-oriented layer-structured perovskite materials are inherited from three-dimensional ABX3 perovskite materials with a generalized formula of (RNH3)2(CH3NH3)n-1MnX3n+1, and adopt the Ruddlesden-Popper type crystalline structure. Here we report the synthesis and investigation of three layer-structured perovskite materials with different layer numbers: (C4H9NH3)2PbI4 (n = 1, one-layered perovskite), (C4H9NH3)2(CH3NH3)Pb2I7 (n = 2, two-layered perovskite) and (C4H9NH3)2(CH3NH3)2Pb3I10 (n = 3, three-layered perovskite). Their photoelectronic properties were investigated in related to their molecular structures. Photodetectors based on these two-dimensional (2D) layer-structured perovskite materials showed tunable photoresponse with short response time in milliseconds. The photodetectors based on three-layered perovskite showed better performances than those of the other two devices, in terms of output current, responsivity, Ilight/Idark ratio, and response time, because of its smaller optical band gap and more condensed microstructure comparing the other two materials. These results revealed the relationship between the molecular structures, film microstructures and the photoresponse properties of 2D layer-structured hybrid perovskites, and demonstrated their potentials as flexible, functional, and tunable semiconductors in optoelectronic applications, by taking advantage of their tunable quantum well molecular structure.

  18. Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory

    Science.gov (United States)

    Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.

    2015-01-01

    A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…

  19. Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory

    Science.gov (United States)

    Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.

    2015-01-01

    A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…

  20. Two-dimensional physical habitat modeling of effects of habitat structures on urban stream restoration

    Directory of Open Access Journals (Sweden)

    Dongkyun IM

    2011-12-01

    Full Text Available River corridors, even if highly modified or degraded, still provide important habitats for numerous biological species, and carry high aesthetic and economic values. One of the keys to urban stream restoration is recovery and maintenance of ecological flows sufficient to sustain aquatic ecosystems. In this study, the Hongje Stream in the Seoul metropolitan area of Korea was selected for evaluating a physically-based habitat with and without habitat structures. The potential value of the aquatic habitat was evaluated by a weighted usable area (WUA using River2D, a two-dimensional hydraulic model. The habitat suitability for Zacco platypus in the Hongje Stream was simulated with and without habitat structures. The computed WUA values for the boulder, spur dike, and riffle increased by about 2%, 7%, and 131%, respectively, after their construction. Also, the three habitat structures, especially the riffle, can contribute to increasing hydraulic heterogeneity and enhancing habitat diversity.

  1. Interfacial engineering of two-dimensional nano-structured materials by atomic layer deposition

    Science.gov (United States)

    Zhuiykov, Serge; Kawaguchi, Toshikazu; Hai, Zhenyin; Karbalaei Akbari, Mohammad; Heynderickx, Philippe M.

    2017-01-01

    Atomic Layer Deposition (ALD) is an enabling technology which provides coating and material features with significant advantages compared to other existing techniques for depositing precise nanometer-thin two-dimensional (2D) nanostructures. It is a cyclic process which relies on sequential self-terminating reactions between gas phase precursor molecules and a solid surface. ALD is especially advantageous when the film quality or thickness is critical, offering ultra-high aspect ratios. ALD provides digital thickness control to the atomic level by depositing film one atomic layer at a time, as well as pinhole-free films even over a very large and complex areas. Digital control extends to sandwiches, hetero-structures, nano-laminates, metal oxides, graded index layers and doping, and it is perfect for conformal coating and challenging 2D electrodes for various functional devices. The technique's capabilities are presented on the example of ALD-developed ultra-thin 2D tungsten oxide (WO3) over the large area of standard 4" Si substrates. The discussed advantages of ALD enable and endorse the employment of this technique for the development of hetero-nanostructure 2D semiconductors with unique properties.

  2. Extracting structural information from the polarization dependence of one- and two-dimensional sum frequency generation spectra.

    Science.gov (United States)

    Laaser, Jennifer E; Zanni, Martin T

    2013-07-25

    We present ways in which pulse sequences and polarizations can be used to extract structural information from one- and two-dimensional vibrational sum frequency generation (2D SFG) spectra. We derive analytic expressions for the polarization dependence of systems containing coupled vibrational modes, and we present simulated spectra to identify the features of different molecular geometries. We discuss several useful polarization combinations for suppressing strong diagonal peaks and emphasizing weaker cross-peaks. We investigate unique capabilities of 2D SFG spectra for obtaining structural information about SFG-inactive modes and for identifying coupled achiral chromophores. This work builds on techniques that have been developed for extracting structural information from 2D IR spectra. This paper discusses how to utilize these concepts in 2D SFG experiments to probe multioscillator systems at interfaces. The sample code for calculating polarization dependence of 1D and 2D SFG spectra is provided in the Supporting Information .

  3. Synthesis and structural characterization of two-dimensional hierarchical covellite nano-structures

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Nirupam, E-mail: n.banerjee@utwente.nl [Materials Research Center, Indian Institute of Science, Bangalore 560012 (India); MESA Institute for Nanotechnology, University of Twente, Enschede (Netherlands); Krupanidhi, S.B., E-mail: sbk@mrc.iisc.ernet.in [Materials Research Center, Indian Institute of Science, Bangalore 560012 (India)

    2012-12-14

    We report a simple, template free and low-temperature hydrothermal reaction pathway using Cu(II) - thiourea complex (prepared in situ from copper (II) chloride and thiourea as precursors) and citric acid as complexing agent to synthesize two-dimensional hierarchical nano-structures of covellite (CuS). The product was characterized with the help of X-ray powder diffraction (XRD), scanning electron microscopy (SEM), energy dispersive analysis of X-ray spectroscopy (EDAX) and X-ray photoelectron spectroscopy (XPS). The concentration of citric acid in the hydrothermal precursor solution was seen to have a profound effect on the nanostructure of the product generated. Based on the outcoming product nano-architecture at different concentration of the ionic surfactant in the hydrothermal precursor solution a possible mechanism suited for reaction and further nucleation is also discussed. -- Highlights: Black-Right-Pointing-Pointer A novel reaction scheme is proposed for synthesizing covellite 2D nano-structures. Black-Right-Pointing-Pointer The nanostructures were thoroughly characterized, both structurally and chemically. Black-Right-Pointing-Pointer Through variation of synthetic parameters a general growth mechanism is proposed.

  4. Introducing 2D Materials—a new multidisciplinary journal devoted to all aspects of graphene and related two-dimensional materials

    Science.gov (United States)

    Fal'ko, Vladimir I.

    2014-06-01

    On behalf of the Editorial Board and IOP Publishing, I am pleased to announce the opening of 2D Materials. Research on two-dimensional materials, such as graphene, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology, and extending from fundamental science to novel applications. It is this situation which defines the scope and mission of 2D Materials, a new journal that will serve all sides of this multidisciplinary field by publishing urgent research of the highest quality and impact.

  5. Structures and Dynamics of a Two-Dimensional Confined Dusty Plasma System

    Institute of Scientific and Technical Information of China (English)

    HUANG Feng; LIU Yan-Hong; WANG Long

    2005-01-01

    The influence of the confining potential strength and temperature on the structures and dynamics of a two-dimensional (2D) dusty plasma system is investigated through molecular dynamic (MD) simulation. The circular symmetric confining potential leads to the nonuniform packing of particles, that is, an inner core with a hexagon lattice surrounded by a few outer circular shells. Under the appropriate confining potential and temperature, the particle trajectories on middle shells form a series of concentric and nested hexagons due to tangential movements of particles.Mean square displacement, self-diffusion constant, pair correlation function, and the nearest bond are used to characterize the structural and dynamical properties of the system. With the increase of the confining potential, the radial and tangential movements of particles have different behaviors. With the increase of temperature, the radial and tangential motions strengthen, particle trajectories gradually become disordered, and the system gradually changes from a crystal or liquid state to a gas state.

  6. Experimental Observation of Exact Coherent Structures in a Weakly Turbulent Quasi-Two-Dimensional Flow

    Science.gov (United States)

    Suri, Balachandra; Tithof, Jeffrey; Pallantla, Ravi Kumar; Grigoriev, Roman; Schatz, Michael

    2015-11-01

    The dynamical systems approach to fluid turbulence relies on understanding the role of unstable, non-chaotic solutions - such as equilibria, traveling waves, and periodic orbits - of the Navier-Stokes equations. These solutions, called Exact Coherent Structures, exist in the same parameter regime as turbulence, but being unstable, are observed in experiments only as short transients. In this talk, we present experimental evidence for the existence and dynamical relevance of unstable equilibria in a weakly turbulent quasi-two-dimensional (Q2D) Kolmogorov flow. In the experiment, this Q2D flow is generated in an electromagnetically driven shallow layer of electrolyte. The numerical simulations, however, use a strictly 2D model which incorporates the effects of the finite thickness of the fluid layer in the experiment. During its evolution, there are instances when the dynamics of a weakly turbulent flow slow down, rather dramatically. Using experimental flow fields from such instances, and by means of a Newton-Solver, we numerically compute several unstable equilibria. Additionally, using numerical simulations, we show that the dynamics of a turbulent flow in the neighbourhood of an equilibrium are accurately described by the unstable manifold of the equilibrium. This work is supported in part by the National Science Foundation under grants CBET-0900018, and CMMI-1234436.

  7. Surface plasmon hurdles leading to a strongly localized giant field enhancement on two-dimensional (2D) metallic diffraction gratings.

    Science.gov (United States)

    Brûlé, Yoann; Demésy, Guillaume; Gralak, Boris; Popov, Evgeny

    2015-04-01

    An extensive numerical study of diffraction of a plane monochromatic wave by a single gold cone on a plane gold substrate and by a periodical array of such cones shows formation of curls in the map of the Poynting vector. They result from the interference between the incident wave, the wave reflected by the substrate, and the field scattered by the cone(s). In case of a single cone, when going away from its base along the surface, the main contribution in the scattered field is given by the plasmon surface wave (PSW) excited on the surface. As expected, it has a predominant direction of propagation, determined by the incident wave polarization. Two particular cones with height approximately 1/6 and 1/3 of the wavelength are studied in detail, as they present the strongest absorption and field enhancement when arranged in a periodic array. While the PSW excited by the smaller single cone shows an energy flux globally directed along the substrate surface, we show that curls of the Poynting vector generated with the larger cone touch the diopter surface. At this point, their direction is opposite to the energy flow of the PSW, which is then forced to jump over the vortex regions. Arranging the cones in a two-dimensional subwavelength periodic array (diffraction grating), supporting a specular reflected order only, resonantly strengthens the field intensity at the tip of cones and leads to a field intensity enhancement of the order of 10 000 with respect to the incident wave intensity. The enhanced field is strongly localized on the rounded top of the cones. It is accompanied by a total absorption of the incident light exhibiting large angular tolerances. This strongly localized giant field enhancement can be of much interest in many applications, including fluorescence spectroscopy, label-free biosensing, surface-enhanced Raman scattering (SERS), nonlinear optical effects and photovoltaics.

  8. An algorithm for circular test and improved optical configuration by two-dimensional (2D) laser heterodyne interferometer

    Science.gov (United States)

    Tang, Shanzhi; Yu, Shengrui; Han, Qingfu; Li, Ming; Wang, Zhao

    2016-09-01

    Circular test is an important tactic to assess motion accuracy in many fields especially machine tool and coordinate measuring machine. There are setup errors due to using directly centring of the measuring instrument for both of contact double ball bar and existed non-contact methods. To solve this problem, an algorithm for circular test using function construction based on matrix operation is proposed, which is not only used for the solution of radial deviation (F) but also should be applied to obtain two other evaluation parameters especially circular hysteresis (H). Furthermore, an improved optical configuration with a single laser is presented based on a 2D laser heterodyne interferometer. Compared with the existed non-contact method, it has a more pure homogeneity of the laser sources of 2D displacement sensing for advanced metrology. The algorithm and modeling are both illustrated. And error budget is also achieved. At last, to validate them, test experiments for motion paths are implemented based on a gantry machining center. Contrast test results support the proposal.

  9. Disparate Strain Dependent Thermal Conductivity of Two-dimensional Penta-Structures.

    Science.gov (United States)

    Liu, Huake; Qin, Guangzhao; Lin, Yuan; Hu, Ming

    2016-06-08

    Two-dimensional (2D) carbon allotrope called penta-graphene was recently proposed from first-principles calculations and various similar penta-structures emerged. Despite significant effort having been dedicated to electronic structures and mechanical properties, little research has been focused on thermal transport in penta-structures. Motivated by this, we performed a comparative study of thermal transport properties of three representative pentagonal structures, namely penta-graphene, penta-SiC2, and penta-SiN2, by solving the phonon Boltzmann transport equation with interatomic force constants extracted from first-principles calculations. Unexpectedly, the thermal conductivity of the three penta-structures exhibits diverse strain dependence, despite their very similar geometry structures. While the thermal conductivity of penta-graphene exhibits standard monotonic reduction by stretching, penta-SiC2 possesses an unusual nonmonotonic up-and-down behavior. More interestingly, the thermal conductivity of penta-SiN2 has 1 order of magnitude enhancement due to the strain induced buckled to planar structure transition. The mechanism governing the diverse strain dependence is identified as the competition between the change of phonon group velocity and phonon lifetime of acoustic phonon modes with combined effect from the unique structure transition for penta-SiN2. The disparate thermal transport behavior is further correlated to the fundamentally different bonding nature in the atomic structures with solid evidence from the distribution of deformation charge density and more in-depth molecular orbital analysis. The reported giant and robust tunability of thermal conductivity may inspire intensive research on other derivatives of penta-structures as potential materials for emerging nanoelectronic devices. The fundamental physics understood from this study also solidifies the strategy to engineer thermal transport properties of broad 2D materials by simple mechanical

  10. Two-dimensional Fourier analysis of the spongy medullary keratin of structurally coloured feather barbs

    Science.gov (United States)

    Prum, R. O.; Torres, R.; Williamson, S.; Dyck, J.

    1999-01-01

    We conducted two-dimensional (2D) discrete Fourier analyses of the spatial variation in refractive index of the spongy medullary keratin from four different colours of structurally coloured feather barbs from three species of bird: the rose-faced lovebird, Agapornis roseicollis (Psittacidae), the budgerigar, Melopsittacus undulatus (Psittacidae), and the Gouldian finch, Poephila guttata (Estrildidae). These results indicate that the spongy medullary keratin is a nanostructured tissue that functions as an array of coherent scatterers. The nanostructure of the medullary keratin is nearly uniform in all directions. The largest Fourier components of spatial variation in refractive index in the tissue are of the appropriate size to produce the observed colours by constructive interference alone. The peaks of the predicted reflectance spectra calculated from the 2D Fourier power spectra are congruent with the reflectance spectra measured by using microspectrophotometry. The alternative physical models for the production of these colours, the Rayleigh and Mie theories, hypothesize that medullary keratin is an incoherent array and that scattered waves are independent in phase. This assumption is falsified by the ring-like Fourier power spectra of these feathers, and the spacing of the scattering air vacuoles in the medullary keratin. Structural colours of avian feather barbs are produced by constructive interference of coherently scattered light waves from the optically heterogeneous matrix of keratin and air in the spongy medullary layer.

  11. Two-Dimensional Simulation of Electrospun Nanofibrous Structures: Connection of Experimental and Simulated Results

    Directory of Open Access Journals (Sweden)

    Panu Danwanichakul

    2014-01-01

    Full Text Available Nanofibrous mats were obtained from electrospinning Nylon-6 solutions with concentrations of 30 and 35 wt% and were tested for filtration of polystyrene particles in suspension. Some experimental results were compared with the simulated ones. In the simulation, the two-dimensional structures were constructed by randomly depositing a nanofiber, which was assumed as an ellipse with an aspect ratio of 100, one by one. The nanofiber size is assumed to be polydisperse. The results showed that simulated configurations resembled real nanofibers with polydisperse diameters. Fibers from higher solution concentration were larger, resulting in larger pore size, which was confirmed with simulations. Varying the size distribution around the same average value did not make any difference to the surface coverage but it affected 2D pore areas for the systems at low fiber density. In addition, the probability for a particle to pass through the porous structure was less when the fiber density was higher and the particle diameter was larger, which was consistent with the filtration test. Lastly, water flux measurement could yield the void volume fraction as well as the volume-averaged pore diameter, which was found to be greater than the averaged 2D pore diameter from SEM micrographs by the quantity related to the fiber size.

  12. A molecular dynamics study on the structural and electronic properties of two-dimensional icosahedral B12 cluster based structures

    Science.gov (United States)

    Kah, Cherno Baba; Yu, M.; Jayanthi, C. S.; Wu, S. Y.

    2014-03-01

    Our previous study on one-dimensional icosahedral B12 cluster (α-B12) based chain [Bulletin of APS Annual Meeting, p265 (2013)] and ring structures has prompted us to study the two-dimensional (2D) α-B12 based structures. Recently, we have carried out a systematic molecular dynamics study on the structural stabilities and electronic properties of the 2D α-B12 based structures using the SCED-LCAO method [PRB 74, 15540 (2006)]. We have considered several types of symmetry for these 2D structures such as δ3, δ4, δ6 (flat triangular), and α' types. We have found that the optimized structures are energetically in the order of δ6 < α' < δ3 < δ4 which is different from the energy order of α'< δ6 < δ4 < δ3 found in the 2D boron monolayer sheets [ACS Nano 6, 7443 (2012)]. A detailed discussion of this study will be presented. The first author acknowledges the McSweeny Fellowship for supporting his research in this work.

  13. Topological defects in two-dimensional crystals

    OpenAIRE

    Chen, Yong; Qi, Wei-Kai

    2008-01-01

    By using topological current theory, we study the inner topological structure of the topological defects in two-dimensional (2D) crystal. We find that there are two elementary point defects topological current in two-dimensional crystal, one for dislocations and the other for disclinations. The topological quantization and evolution of topological defects in two-dimensional crystals are discussed. Finally, We compare our theory with Brownian-dynamics simulations in 2D Yukawa systems.

  14. Structure analysis of aromatic medicines containing nitrogen using near-infrared spectroscopy and generalized two-dimensional correlation spectroscopy

    Science.gov (United States)

    Liu, Hao; Gao, Hongbin; Qu, Lingbo; Huang, Yanping; Xiang, Bingren

    2008-12-01

    Four aromatic medicines (acetaminophen; niacinamide; p-aminophenol; nicotinic acid) containing nitrogen were investigated by FT-NIR (Fourier transform near-infrared) spectroscopy and generalized two-dimensional (2D) correlation spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-130 °C. By combining near-infrared spectroscopy, generalized 2D correlation spectroscopy and references, the molecular structures (especially the hydrogen bond related with nitrogen) were analyzed and the NIR band assignments were performed. The results will be helpful to the understanding of aromatic medicines containing nitrogen and the utility of these substances.

  15. Structuring Au nanoparticles on two-dimensional MoS2 nanosheets for electrochemical glucose biosensors.

    Science.gov (United States)

    Parlak, Onur; İncel, Anıl; Uzun, Lokman; Turner, Anthony P F; Tiwari, Ashutosh

    2017-03-15

    Two-dimensional (2D) bioelectronics is an emerging field of research which fuses the advantages of 2D nanomaterials with those of nanobiotechnology. Due to the various physical and chemical properties present in layered counterparts of 2D materials, including high charge density, large surface area, remarkable electron mobility, ready electron transport, sizeable band gaps and ease of hybridisation, they are set to become a versatile tool to fabricate sensitive and selective novel biodevices, which might offer an unique advantages to tackle key energy, medical and environmental issues. Current 2D bioelectronics research is focused on the design of simple-to-use and cheaper biodevices, while improving their selectivity, sensitivity and stability. However, current designs generally suffer from a lack of efficiency, relatively low sensitivity, slow electron transfer kinetics, high background charging current and low current density arising from poor mass transport. Here, we report a nanoparticle-structured MoS2 nanosheet as an ideal semiconductor interface, which is able to form a homogenous layer on the electrode surface for the assembly of gold nanoparticles. This not only enhances electrocatalytic reactions, but also provides excellent electrochemical properties such as high faradic-to-capacitive current ratios, high current density and electron mobility, and faster mass transport, due to the dominance of radial diffusion. The MoS2/Au NPs/GOx bioelectrode exhibits a linear response to glucose from 0.25 to 13.2mM, with a detection limit of 0.042µM (S/N=3) and sensitivity of 13.80µA/µM/cm(2).

  16. Two Dimensional Electrostrictive Field Effect Transistor (2D-EFET): A sub-60mV/decade Steep Slope Device with High ON current

    Science.gov (United States)

    Das, Saptarshi

    2016-01-01

    This article proposes a disruptive device concept which meets both low power and high performance criterion for post-CMOS computing and at the same time enables aggressive channel length scaling. This device, hereafter refer to as two-dimensional electrostrictive field effect transistor or 2D-EFET, allows sub-60 mV/decade subthreshold swing and considerably higher ON current compared to any state of the art FETs. Additionally, by the virtue of its ultra-thin body nature and electrostatic integrity, the 2D-EFET enjoys scaling beyond 10 nm technology node. The 2D-EFET works on the principle of voltage induced strain transduction. It uses an electrostrictive material as gate oxide which expands in response to an applied gate bias and thereby transduces an out-of-plane stress on the 2D channel material. This stress reduces the inter-layer distance between the consecutive layers of the semiconducting 2D material and dynamically reduces its bandgap to zero i.e. converts it into a semi-metal. Thus the device operates with a large bandgap in the OFF state and a small or zero bandgap in the ON state. As a consequence of this transduction mechanism, internal voltage amplification takes place which results in sub-60 mV/decade subthreshold swing (SS). PMID:27721489

  17. Two Dimensional Electrostrictive Field Effect Transistor (2D-EFET): A sub-60mV/decade Steep Slope Device with High ON current

    Science.gov (United States)

    Das, Saptarshi

    2016-10-01

    This article proposes a disruptive device concept which meets both low power and high performance criterion for post-CMOS computing and at the same time enables aggressive channel length scaling. This device, hereafter refer to as two-dimensional electrostrictive field effect transistor or 2D-EFET, allows sub-60 mV/decade subthreshold swing and considerably higher ON current compared to any state of the art FETs. Additionally, by the virtue of its ultra-thin body nature and electrostatic integrity, the 2D-EFET enjoys scaling beyond 10 nm technology node. The 2D-EFET works on the principle of voltage induced strain transduction. It uses an electrostrictive material as gate oxide which expands in response to an applied gate bias and thereby transduces an out-of-plane stress on the 2D channel material. This stress reduces the inter-layer distance between the consecutive layers of the semiconducting 2D material and dynamically reduces its bandgap to zero i.e. converts it into a semi-metal. Thus the device operates with a large bandgap in the OFF state and a small or zero bandgap in the ON state. As a consequence of this transduction mechanism, internal voltage amplification takes place which results in sub-60 mV/decade subthreshold swing (SS).

  18. Coherent structures in two-dimensional plasma turbulence

    DEFF Research Database (Denmark)

    Huld, T.; Nielsen, A.H.; Pécseli, H.L.;

    1991-01-01

    -band turbulent fluctuations is demonstrated by a conditional sampling technique. Depending on plasma parameters, the dominant structures can appear as monopole or multipole vortices, dipole vortices in particular. The importance of large structures for the turbulent plasma diffusion is discussed. A statistical...... analysis of the randomly varying plasma flux is presented....

  19. Effect of solvent evaporation temperature on the structure of two-dimensional melamine networks on Au(111)

    Science.gov (United States)

    Okada, Arifumi; Nakata, Yohei; Minou, Kosuke; Yoshimura, Masamichi; Kadono, Kohei

    2016-12-01

    By scanning tunneling microscopy (STM), we investigated two-dimensional (2D) structures of melamine formed on Au(111) surfaces by solvent evaporation. By increasing the evaporation temperature, the well-known ordered honeycomb 2D molecular phase, in which all molecules are linked by hydrogen bonding, changes to four coexisting phases, i.e., a 2D network consisting of linear segments, 1D molecular rows, and hexagonal and distorted hexagonal structures. The first two phases are sometimes observed in ultrahigh vacuum (UHV) on metallic substrates other than Au. The last two phases have lattice parameters close to those of the well-known honeycomb structure. The structural change observed in this study is attributed to local temperature and concentration distributions of the solution and substrate surface during solvent evaporation. From the results, we found that the molecular nanostructures can be tailored by the solvent evaporation method with small changes in temperature.

  20. Coherent vortical structures in two-dimensional plasma turbulence

    DEFF Research Database (Denmark)

    Pécseli, H.L.; Coutsias, E.A.; Huld, T.;

    1992-01-01

    A laboratory experiment was carried out in order to study the nonlinear saturated stage of the cross-field electrostatic Kelvin-Helmholtz instability in a strongly magnetized plasma. The presence of large vortex-like structures in a background of wide-band turbulent fluctuations was demonstrated...... simulations. The importance of the large scale structures for the turbulent plasma transport across magnetic field lines was analyzed in detail....

  1. Graphene materials having randomly distributed two-dimensional structural defects

    Energy Technology Data Exchange (ETDEWEB)

    Kung, Harold H.; Zhao, Xin; Hayner, Cary M.; Kung, Mayfair C.

    2016-05-31

    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  2. Graphene materials having randomly distributed two-dimensional structural defects

    Science.gov (United States)

    Kung, Harold H; Zhao, Xin; Hayner, Cary M; Kung, Mayfair C

    2013-10-08

    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  3. Two-dimensional bismuth-silver structures on Si(111)

    Science.gov (United States)

    Denisov, N. V.; Chukurov, E. N.; Luniakov, Yu. V.; Utas, O. A.; Azatyan, S. G.; Yakovlev, A. A.; Zotov, A. V.; Saranin, A. A.

    2014-05-01

    Using scanning tunneling microscopy (STM) observations, it has been found that deposition of 0.8-1.3 monolayer of Ag onto the mixed Si(111)α - √ 3 × √ 3 / β - √ 3 × √ 3-Bi surfaces followed by annealing at 150-250°C induces formation of new ordered and quasi-ordered (Bi,Ag)/Si(111) metastable structures, √ 19 × √ 19, 4 × 4, 2 √ 3 × 2 √ 3, and ‘3 √ 3 × 3√3’. Scanning tunneling spectroscopy has demonstrated that the 2√3 × 2√3 structure is semiconducting, while the √19 × √19 and 4 × 4 structures are metallic. Structural models of the √19 × √19 and 4 × 4 have been proposed based on placing a single Ag(111)1 × 1 layer with selected Ag atoms being substituted for Bi atoms onto the bulk-like Si(111)1 × 1 surface. The models have been proved with DFT calculations and comparison of simulated and experimental STM images. Calculated band structure of the Si(111)4 × 4 structure displays a spin-split metallic surface-state band with splitting of ∆k ≈ 0.002 Å- 1 and ∆E ≈ 10 meV in the vicinity of the Fermi level.

  4. Tuning the electronic structures and magnetism of two-dimensional porous C2N via transition metal embedding.

    Science.gov (United States)

    Du, Juan; Xia, Congxin; Xiong, Wenqi; Zhao, Xu; Wang, Tianxing; Jia, Yu

    2016-08-10

    Based on first-principles calculations, the electronic structures and magnetism are investigated in 3d transition metal (TM)-embedded porous two-dimensional (2D) C2N monolayers. Numerical results indicate that except Mn and Co atoms, other TM atoms can be embedded stably in the 2D C2N monolayer. Moreover, the magnetic moments of the TM-embedded C2N monolayer depend highly on the atomic number of the TM atoms. The Sc, Ti, V, Cr, Mn, Fe, Co and Ni atom-embedded C2N monolayers possess a ferromagnetic ground state, while embedding Cu can induce paramagnetic characteristics in the 2D C2N monolayer. Meanwhile, the Zn-embedded C2N monolayer exhibits a nonmagnetic ground state. These results indicate that the magnetism of 2D C2N monolayers can be tuned via embedding TM atoms.

  5. Generalized two-dimensional correlation near-infrared spectroscopy and principal component analysis of the structures of methanol and ethanol

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Liquid state methanol and ethanol under different temperatures have been investigated by FT-NIR(Fourier transform nearinfrared) spectroscopy,generalized two-dimensional(2D) correlation spectroscopy,and PCA(principal component analysis) . First,the FT-NIR spectra were measured over a temperature range of 30-64(or 30-71) °C,and then the 2D correlation spectra were computed.Combining near-infrared spectroscopy,generalized 2D correlation spectroscopy,and references,we analyzed the molecular structures(especially the hydrogen bond) of methanol and ethanol,and performed the NIR band assignments. The PCA method was employed to verify the results of the 2D analysis.This study will be helpful to the understanding of these reagents.

  6. On Space Efficient Two Dimensional Range Minimum Data Structures

    DEFF Research Database (Denmark)

    Brodal, Gerth Stølting; Davoodi, Pooya; Rao, S. Srinivasa

    2012-01-01

    the space and query time of the problem. We show that every algorithm enabled to access A during the query and using a data structure of size O(N/c) bits requires Ω(c) query time, for any c where 1≤c≤N. This lower bound holds for arrays of any dimension. In particular, for the one dimensional version...... of the problem, the lower bound is tight up to a constant factor. In two dimensions, we complement the lower bound with an indexing data structure of size O(N/c) bits which can be preprocessed in O(N) time to support O(clog 2 c) query time. For c=O(1), this is the first O(1) query time algorithm using a data...... structure of optimal size O(N) bits. For the case where queries can not probe A, we give a data structure of size O(N⋅min {m,log n}) bits with O(1) query time, assuming m≤n. This leaves a gap to the space lower bound of Ω(Nlog m) bits for this version of the problem...

  7. White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.

    Science.gov (United States)

    Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C; Wasielewski, Michael R; Kanatzidis, Mercouri G

    2017-03-29

    Hybrid inorganic-organic perovskites are developing rapidly as high performance semiconductors. Recently, two-dimensional (2D) perovskites were found to have white-light, broadband emission in the visible range that was attributed mainly to the role of self-trapped excitons (STEs). Here, we describe three new 2D lead bromide perovskites incorporating a series of bifunctional ammonium dications as templates which also emit white light: (1) α-(DMEN)PbBr4 (DMEN = 2-(dimethylamino)ethylamine), which adopts a unique corrugated layered structure in space group Pbca with unit cell a = 18.901(4) Å, b = 11.782(2) Å, and c = 23.680(5) Å; (2) (DMAPA)PbBr4 (DMAPA = 3-(dimethylamino)-1-propylamine), which crystallizes in P21/c with a = 10.717(2) Å, b = 11.735(2) Å, c = 12.127(2) Å, and β = 111.53(3)°; and (3) (DMABA)PbBr4 (DMABA = 4-dimethylaminobutylamine), which adopts Aba2 with a = 41.685(8) Å, b = 23.962(5) Å, and c = 12.000(2) Å. Photoluminescence (PL) studies show a correlation between the distortion of the "PbBr6" octahedron in the 2D layer and the broadening of PL emission, with the most distorted structure having the broadest emission (183 nm full width at half-maximum) and longest lifetime (τavg = 1.39 ns). The most distorted member α-(DMEN)PbBr4 exhibits white-light emission with a color rendering index (CRI) of 73 which is similar to a fluorescent light source and correlated color temperature (CCT) of 7863 K, producing "cold" white light.

  8. Study on two-dimensional equilibrium structure of magnetized complex plasmas based on a Langevin dynamics simulation

    Science.gov (United States)

    Kong, Wei; Yang, Fang; Liu, Songfen; Shi, Feng

    2016-10-01

    A Langevin dynamics simulation method is used to study the two-dimensional (2D) equilibrium structure of complex plasmas while considering an external magnetic field. The traditional Yukawa potential and a modified Yukawa potential according to Shukla et al. [Phys. Lett. A 291, 413 (2001); Shukla and Mendonca, Phys. Scr. T113 82 (2004)] and Salimullah et al. [Phys. Plasmas 10, 3047 (2003)] respectively, are employed to account for the interaction of the charged dust particles. It is found that the collisions between neutral gas and charged dust particles have minor effects on the 2D equilibrium structure of the system. Based on the modified Yukawa potential, studies on the 2D equilibrium structure show that the traditional Yukawa potential is still suitable for describing the magnetized complex plasmas, even if the shielding distance of charged dust particles is affected by the strong external magnetic field.

  9. On Space Efficient Two Dimensional Range Minimum Data Structures

    DEFF Research Database (Denmark)

    Davoodi, Pooya; Brodal, Gerth Stølting; Rao, S. Srinivasa

    2010-01-01

    , the lower bound is tight up to a constant factor. In two dimensions, we complement the lower bound with an indexing data structure of size O(N/c) bits additional space which can be preprocessed in O(N) time and achieves O(clog2 c) query time. For c = O(1), this is the first O(1) query time algorithm using...... optimal O(N) bits additional space. For the case where queries can not probe A, we give a data structure of size O(N· min {m,logn}) bits with O(1) query time, assuming m ≤ n. This leaves a gap to the lower bound of Ω(Nlogm) bits for this version of the problem....

  10. STRUCTURE OF KELLER MAPPINGS, TWO-DIMENSIONAL CASE

    Directory of Open Access Journals (Sweden)

    V. V. Starkov

    2017-06-01

    Full Text Available A Keller map is a polynomial mapping ƒ : Rⁿ → Rⁿ (or Cⁿ → Cⁿ with the Jacobian J_ƒ ≡ const ≠ 0. The Jacobian conjecture was first formulated by O. N. Keller in 1939. In the modern form it supposes injectivity of a Keller map. Earlier, in the case n = 2, the author gave a complete description of Keller maps with deg ƒ ≤ 3. This paper is devoted to the description of Keller maps for which deg ƒ ≤ 4. Significant differences between these two cases are revealed, which, in particular, indicate the irregular structure of Keller maps even in the case of n = 2.

  11. Two-dimensional chiral asymmetry in unidirectional magnetic anisotropy structures

    Directory of Open Access Journals (Sweden)

    P. Perna

    2016-05-01

    Full Text Available We investigate the symmetry-breaking effects of magnetic nanostructures that present unidirectional (one-fold magnetic anisotropy. Angular and field dependent transport and magnetic properties have been studied in two different exchange-biased systems, i.e. ferromagnetic (FM/ antiferromagnetic (AFM bilayer and spin-valve structures. We experimentally show the direct relationships between the magnetoresistance (MR response and the magnetization reversal pathways for any field value and direction. We demonstrate that even though the MR signals are related to different transport phenomena, namely anisotropic magnetoresistance (AMR and giant magnetoresistance (GMR, chiral asymmetries are found around the magnetization hard-axis direction, in both cases originated from the one-fold symmetry of the interfacial exchange coupling. Our results indicate that the chiral asymmetry of transport and magnetic behaviors are intrinsic of systems with an unidirectional contribution.

  12. Stability and electronic structure of two-dimensional allotropes of group-IV materials

    Science.gov (United States)

    Matusalem, Filipe; Marques, Marcelo; Teles, Lara K.; Bechstedt, Friedhelm

    2015-07-01

    We study six different two-dimensional (2D) allotropes of carbon, silicon, germanium, and tin by means of the ab initio density functional theory for the ground state and approximate methods to calculate their electronic structures, including quasiparticle effects. Four of the investigated allotropes are based on dumbbell geometries, one on a kagome lattice, and one on the graphenelike hexagonal structure for comparison. Concerning carbon, our calculations of the cohesive energies clearly show that the hexagonal structure (graphene) is most stable. However, in the case of Si and Ge, the dumbbell structures, particularly the large honeycomb dumbbell (LHD) geometries, are energetically favored compared to the s p2/s p3 -bonded hexagonal lattice (i.e., silicene and germanene). The main reason for this is the opening of a band gap in the honeycomb dumbbell arrangements. The LHD sheet crystals represent indirect semiconductors with a K →Γ gap of about 0.5 eV. In the Sn case we predict the MoS2-like symmetry to be more stable, in contrast to the stanene and LHD geometries predicted in literature. Our results for freestanding group-IV layers shine new light on recent experimental studies of group-IV overlayers on various substrates.

  13. Two-dimensional colloidal crystal assisted formation of conductive porous gold films with flexible structural controllability.

    Science.gov (United States)

    Lu, Zhicheng; Liu, Chen; Han, Heyou

    2015-01-01

    Two-dimensional (2D) colloidal crystals of polystyrene (PS) particles were used as a structure-controlling template to fabricate conductive Au films with an ordered array of nanoholes. The fabrication mainly involved the functionalization of the supporting substrate with polyelectrolyte (PE) functional layers, self-assembly of Au nanoparticles, and electroless deposition of gold. The self-assembly of Au nanoparticles and electroless deposition of gold were macroscopically monitored using ultraviolet-visible (UV-vis) spectroscopy based on the changes in both the extinction spectra of Au nanoparticles and the optical responses of ordered arrays of PS particles. By scanning electron microscopy (SEM) characterization, it was found that Au nanoparticles were assembled into a film structure with orderly dispersed nanoholes and the deposition of gold was confined to the preformed Au nanoparticle films. During the formation of Au films, PE layer structure, Au nanoparticle size and heating treatment applied to the PS template could influence the structures of conductive porous Au films such as the hole diameter, film thickness, and hole diameter/wall thickness ratio (D/W). In addition, this paper also described electrochemical cyclic voltammetry (CV) employed to demonstrate the porosity of the ultimate Au films.

  14. Electronic structure of boron based single and multi-layer two dimensional materials

    Science.gov (United States)

    Miyazato, Itsuki; Takahashi, Keisuke

    2017-09-01

    Two dimensional nanosheets based on boron and Group VA elements are designed and characterized using first principles calculations. B-N, B-P, B-As, B-Sb, and B-Bi are found to possess honeycomb structures where formation energies indicate exothermic reactions. Contrary to B-N, the cases of B-P, B-As, B-Sb, and B-Bi nanosheets are calculated to possess narrow band gaps. In addition, calculations reveal that the electronegativity difference between B and Group VA elements in the designed materials is a good indicator to predict the charge transfer and band gap of the two dimensional materials. Hydrogen adsorption over defect-free B-Sb and B-Bi results in exothermic reactions, while defect-free B-N, B-P, and B-As result in endothermic reactions. The layerability of the designed two dimensional materials is also investigated where the electronic structure of two-layered two dimensional materials is strongly coupled with how the two dimensional materials are layered. Thus, one can consider that the properties of two dimensional materials can be controlled by the composition of two dimensional materials and the structure of layers.

  15. Generalized two-dimensional (2D) linear system analysis metrics (GMTF, GDQE) for digital radiography systems including the effect of focal spot, magnification, scatter, and detector characteristics

    Science.gov (United States)

    Kuhls-Gilcrist, Andrew T.; Gupta, Sandesh K.; Bednarek, Daniel R.; Rudin, Stephen

    2010-01-01

    The MTF, NNPS, and DQE are standard linear system metrics used to characterize intrinsic detector performance. To evaluate total system performance for actual clinical conditions, generalized linear system metrics (GMTF, GNNPS and GDQE) that include the effect of the focal spot distribution, scattered radiation, and geometric unsharpness are more meaningful and appropriate. In this study, a two-dimensional (2D) generalized linear system analysis was carried out for a standard flat panel detector (FPD) (194-micron pixel pitch and 600-micron thick CsI) and a newly-developed, high-resolution, micro-angiographic fluoroscope (MAF) (35-micron pixel pitch and 300-micron thick CsI). Realistic clinical parameters and x-ray spectra were used. The 2D detector MTFs were calculated using the new Noise Response method and slanted edge method and 2D focal spot distribution measurements were done using a pin-hole assembly. The scatter fraction, generated for a uniform head equivalent phantom, was measured and the scatter MTF was simulated with a theoretical model. Different magnifications and scatter fractions were used to estimate the 2D GMTF, GNNPS and GDQE for both detectors. Results show spatial non-isotropy for the 2D generalized metrics which provide a quantitative description of the performance of the complete imaging system for both detectors. This generalized analysis demonstrated that the MAF and FPD have similar capabilities at lower spatial frequencies, but that the MAF has superior performance over the FPD at higher frequencies even when considering focal spot blurring and scatter. This 2D generalized performance analysis is a valuable tool to evaluate total system capabilities and to enable optimized design for specific imaging tasks. PMID:21243038

  16. Structural Theory of 2-d Adinkras

    CERN Document Server

    Iga, Kevin

    2015-01-01

    Adinkras are combinatorial objects developed to study 1-dimensional supersymmetry representations. Recently, 2-d Adinkras have been developed to study 2-dimensional supersymmetry. In this paper, we classify all 2-d Adinkras, confirming a conjecture of T. H\\"ubsch. Along the way, we obtain other structural results, including a simple characterization of H\\"ubsch's even-split doubly even code.

  17. A humidity sensitive two-dimensional tunable amorphous photonic structure in the outer layer of bivalve ligament from Sunset Siliqua

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Weigang, E-mail: abczwg15@163.com [College of Materials and Chemical Engineering, Chuzhou University, Chuzhou 239000 (China); Zhang, Gangsheng [College of Material Science and Technology, Guangxi University, Nanning 530004 (China)

    2015-07-01

    A humidity sensitive two-dimensional tunable amorphous photonic structure (2D TAPS) in the outer layer of bivalve ligament from Sunset Siliqua (OLLS) was reported in this paper. The structural color and microstructure of OLLS were investigated by reflection spectra and scanning electron microscopy, respectively. The results indicate that the reflection peak wavelength of the wet OLLS blue-shifts from 454 nm to 392 nm with the increasing of air drying time from 0 to 40 min, while the reflectivity decreases gradually and vanishes at last, relevant color changes from blue to black background color. The structural color in the OLLS is produced by a two-dimensional amorphous photonic structure consisting of aligned protein fibers, in which the diameter of protein fiber and the inter-fiber spacing are 101 ± 12 nm. Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure, and the regulation achieved through dynamically tuning the interaction between inter-fiber spacing and average refractive index. - Highlights: • A humidity sensitive two-dimensional tunable amorphous photonic structure • Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure. • This photonic structure may yield very useful template for artificial structures.

  18. Two-dimensional iron oxide bi-and trilayer structures on Pd(100)

    Science.gov (United States)

    Kuhness, D.; Pomp, S.; Mankad, V.; Barcaro, G.; Sementa, L.; Fortunelli, A.; Netzer, F. P.; Surnev, S.

    2016-03-01

    The growth morphology and structure of iron oxide films, prepared by postoxidation of Fe monolayers on a Pd(100) surface, have been investigated in a multitechnique study, using scanning tunneling microscopy (STM), low energy electron diffraction (LEED), high-resolution x-ray photoelectron spectroscopy (HR-XPS) and x-ray absorption spectroscopy (XAS), both using synchrotron radiation, and comprehensive density functional theory (DFT) analysis. A two-dimensional (2-D) hexagonal O-Fe-O trilayer phase has been generated at submonolayer Fe coverages, which converges into two different 2-D hexagonal Fe-O bilayer structures at one monolayer. One phase exhibits a c(8 × 2) coincidence structure and is associated with a stoichiometric FeO(111) bilayer. The second phase displays a superstructure of triangular loops, which is understood from DFT modeling as excess O ad-atoms in the terminating oxygen layer, thus corresponding to a FeO bilayer with a formal FeO1.125 stoichiometry. Annealing the latter in ultrahigh vacuum to 770 K results in the pure c(8 × 2) wetting layer. The thermodynamic stability of the O-Fe-O trilayer and FeO bilayer phases is analyzed in the DFT framework and is found to be in good agreement with the experiment. The absence of a c(4 × 2)-Fe3O4 phase in the experimental phase diagram, which is found to be stable by DFT and is experimentally encountered for other transition metal oxide films, such as Ni-, Co-, and Mn-oxide on Pd(100), is ascribed to kinetic reasons.

  19. A compact chaotic laser device with a two-dimensional external cavity structure

    Energy Technology Data Exchange (ETDEWEB)

    Sunada, Satoshi, E-mail: sunada@se.kanazawa-u.ac.jp; Adachi, Masaaki [Faculty of Mechanical Engineering, Institute of Science and Engineering, Kanazawa University, Kakuma-machi, Kanazawa, Ishikawa 920-1192 (Japan); Fukushima, Takehiro [Department of Information and Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja, Okayama 719-1197 (Japan); Shinohara, Susumu; Arai, Kenichi [NTT Communication Science Laboratories, NTT Corporation, 2-4 Hikaridai, Seika-cho, Soraku-gun, Kyoto 619-0237 (Japan); Harayama, Takahisa [NTT Communication Science Laboratories, NTT Corporation, 2-4 Hikaridai, Seika-cho, Soraku-gun, Kyoto 619-0237 (Japan); Department of Mechanical Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan)

    2014-06-16

    We propose a compact chaotic laser device, which consists of a semiconductor laser and a two-dimensional (2D) external cavity for delayed optical feedback. The overall size of the device is within 230 μm × 1 mm. A long time delay sufficient for chaos generation can be achieved with the small area by the multiple reflections at the 2D cavity boundary, and the feedback strength is controlled by the injection current to the external cavity. We experimentally demonstrate that a variety of output properties, including chaotic output, can be selectively generated by controlling the injection current to the external cavity.

  20. Resistive MHD reconstruction of two-dimensional coherent structures in space

    Directory of Open Access Journals (Sweden)

    W.-L. Teh

    2010-11-01

    Full Text Available We present a reconstruction technique to solve the steady resistive MHD equations in two dimensions with initial inputs of field and plasma data from a single spacecraft as it passes through a coherent structure in space. At least two components of directly measured electric fields (the spacecraft spin-plane components are required for the reconstruction, to produce two-dimensional (2-D field and plasma maps of the cross section of the structure. For convenience, the resistivity tensor η is assumed diagonal in the reconstruction coordinates, which allows its values to be estimated from Ohm's law, E+v×B=η·j. In the present paper, all three components of the electric field are used. We benchmark our numerical code by use of an exact, axi-symmetric solution of the resistive MHD equations and then apply it to synthetic data from a 3-D, resistive, MHD numerical simulation of reconnection in the geomagnetic tail, in a phase of the event where time dependence and deviations from 2-D are both weak. The resistivity used in the simulation is time-independent and localized around the reconnection site in an ellipsoidal region. For the magnetic field, plasma density, and pressure, we find very good agreement between the reconstruction results and the simulation, but the electric field and plasma velocity are not predicted with the same high accuracy.

  1. Two-dimensional wide-band-gap II-V semiconductors with a dilated graphene-like structure

    Science.gov (United States)

    Zhang, Xue-Jing; Liu, Bang-Gui

    2016-12-01

    Since the advent of graphene, two-dimensional (2D) materials have become very attractive and there is growing interest in exploring new 2D materials beyond graphene. Here, through density-functional theory (DFT) calculations, we predict 2D wide-band-gap II-V semiconductor materials of M3X2 (M = Zn, Cd and X = N, P, As) with a dilated graphene-like honeycomb structure. In this structure the group-V X atoms form two X-atomic planes symmetrically astride the centering group-IIB M atomic plane. Our DFT calculation shows that 2D Zn3N2, Zn3P2 and Zn3As2 have direct band gaps of 2.87, 3.81 and 3.55 eV, respectively, and 2D Cd3N2, Cd3P2 and Cd3As2 exhibit indirect band gaps of 2.74, 3.51 and 3.29 eV, respectively. Each of the six 2D materials is shown to have effective carrier (either hole or electron) masses down to 0.03m 0-0.05m 0. The structural stability and feasibility of experimental realization of these 2D materials has been shown in terms of DFT phonon spectra and total energy comparison with related existing bulk materials. On the experimental side, there already are many similar two-coordinate structures of Zn and other transition metals in various organic materials. Therefore, these 2D semiconductors can enrich the family of 2D electronic materials and may have promising potential for achieving novel transistors and optoelectronic devices.

  2. Design, fabrication, and characterization of lightweight and broadband microwave absorbing structure reinforced by two dimensional composite lattice

    Science.gov (United States)

    Chen, Mingji; Pei, Yongmao; Fang, Daining

    2012-07-01

    Microwave absorbing structures (MASs) reinforced by two dimensional (2D) composite lattice elements have been designed and fabricated. The density of these MASs is lower than 0.5 g/cm3. Experimental measurements show that the sandwich structure with glass fiber reinforced composite (GFRC) lattice core can serve as a broadband MAS with its reflectivity below -10 dB over the frequency range of 4-18 GHz. The low permittivity GFRC is indicated to be the proper material for both the structural element of the core and the transparent face sheet. Calculations by the periodic moment method (PMM) demonstrate that the 2D Kagome lattice performs better for microwave absorbing than the square one at relatively low frequencies. The volume fraction and cell size of the structural element are also revealed to be key factors for microwave absorbing performance.

  3. Analytical and Numerical Calculations of Two-Dimensional Dielectric Photonic Band Gap Structures and Cavities for Laser Acceleration

    CERN Document Server

    Samokhvalova, Ksenia R; Liang Qian, Bao

    2005-01-01

    Dielectric photonic band gap (PBG) structures have many promising applications in laser acceleration. For these applications, accurate determination of fundamental and high order band gaps is critical. We present the results of our recent work on analytical calculations of two-dimensional (2D) PBG structures in rectangular geometry. We compare the analytical results with computer simulation results from the MIT Photonic Band Gap Structure Simulator (PBGSS) code, and discuss the convergence of the computer simulation results to the analytical results. Using the accurate analytical results, we design a mode-selective 2D dielectric cylindrical PBG cavity with the first global band gap in the frequency range of 8.8812 THz to 9.2654 THz. In this frequency range, the TM01-like mode is shown to be well confined.

  4. Study on the crystalline structure transition of syndiotactic polystyrene film during heat treatment by two-dimensional infrared correlation spectroscopy.

    Science.gov (United States)

    Li, Weizhen; Wu, Peiyi

    2009-08-01

    The crystal structure transition of syndiotactic polystyrene film from the helical conformation to the more stable planar zigzag conformation during a heating process was studied using Fourier transform infrared (FT-IR) spectroscopy in combination with two-dimensional (2D) correlation analysis and perturbation-correlation moving-window 2D analysis. The sequence of different conformations during the transition was investigated by analyzing two-dimensional FT-IR correlation spectra in the spectral ranges of 800-700 cm(-1) and 600-500 cm(-1). It was observed that the conformation of delta helical changes prior to gamma helical, and the gamma helical phase is faster than the alpha' planar zigzag phase. By utilizing the 2D asynchronous correlation spectra, the 744 cm(-1) band, which is usually incorporated in the broad 750 cm(-1) band, can now be uniquely attributed as the alpha' zigzag configuration for the first time. Furthermore, by employing thermal perturbation, the shorter helical segments consisting of m = 7-12 and m = 12-20 monomeric units were disturbed in a shorter time than the longer helical segments m = 20-30 during the heating process.

  5. Photonic Band Gap Structures with Periodically Arranged Atoms in a Two-Dimensional Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    LI Zhi-Yu; CHEN Fang; ZHOU Jian-Ying

    2005-01-01

    @@ Linear transmission, reflection and absorption spectra for a new two-dimensional photonic crystal with periodically arranged resonant atoms are examined. Numerical results show that a twin-gap structure with forbidden bands displaced from a non-doped bandgap structure can be produced as a result of atomic polarization. The absorption spectrum is also significantly altered compared to the single atom entity.

  6. Two-dimensional artificial light-harvesting antennae with predesigned high-order structure and robust photosensitising activity

    Science.gov (United States)

    Feng, Xiao; Ding, Xuesong; Chen, Long; Wu, Yang; Liu, Lili; Addicoat, Matthew; Irle, Stephan; Dong, Yuping; Jiang, Donglin

    2016-09-01

    Highly ordered discrete assemblies of chlorophylls that are found in natural light-harvesting antennae are key to photosynthesis, which converts light energy to chemical energy and is the principal producer of organic matter on Earth. Porphyrins and phthalocyanines, which are analogues of chlorophylls, exhibit a strong absorbance of visible and near-infrared light, respectively. A highly ordered porphyrin-co-phthalocyanine antennae would harvest photons over the entire solar spectrum for chemical transformation. However, such a robust antennae has not yet been synthesised. Herein, we report a strategy that merges covalent bonds and noncovalent forces to produce highly ordered two-dimensional porphyrin-co-phthalocyanine antennae. This methodology enables control over the stoichiometry and order of the porphyrin and phthalocyanine units; more importantly, this approach is compatible with various metalloporphyrin and metallophthalocyanine derivatives and thus may lead to the generation of a broad structural diversity of two-dimensional artificial antennae. These ordered porphyrin-co-phthalocyanine two-dimensional antennae exhibit unique optical properties and catalytic functions that are not available with single-component or non-structured materials. These 2D artificial antennae exhibit exceptional light-harvesting capacity over the entire solar spectrum as a result of a synergistic light-absorption effect. In addition, they exhibit outstanding photosensitising activities in using both visible and near-infrared photons for producing singlet oxygen.

  7. Theoretical studies on electronic structure and x-ray spectroscopies of 2D materials

    OpenAIRE

    2016-01-01

    Extraordinary chemical and physical properties have been discovered from the studies of two-dimensional (2D) materials, ever since the successful exfoliation of graphene, the first 2D material. Theoretical investigations of electronic structure and spectroscopies of these materials play a fundamental role in deep understanding the various properties. In particular, the band structure and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy can provide critical information near the ...

  8. Haptic-2D: A new haptic test battery assessing the tactual abilities of sighted and visually impaired children and adolescents with two-dimensional raised materials.

    Science.gov (United States)

    Mazella, Anaïs; Albaret, Jean-Michel; Picard, Delphine

    2016-01-01

    To fill an important gap in the psychometric assessment of children and adolescents with impaired vision, we designed a new battery of haptic tests, called Haptic-2D, for visually impaired and sighted individuals aged five to 18 years. Unlike existing batteries, ours uses only two-dimensional raised materials that participants explore using active touch. It is composed of 11 haptic tests, measuring scanning skills, tactile discrimination skills, spatial comprehension skills, short-term tactile memory, and comprehension of tactile pictures. We administered this battery to 138 participants, half of whom were sighted (n=69), and half visually impaired (blind, n=16; low vision, n=53). Results indicated a significant main effect of age on haptic scores, but no main effect of vision or Age × Vision interaction effect. Reliability of test items was satisfactory (Cronbach's alpha, α=0.51-0.84). Convergent validity was good, as shown by a significant correlation (age partialled out) between total haptic scores and scores on the B101 test (rp=0.51, n=47). Discriminant validity was also satisfactory, as attested by a lower but still significant partial correlation between total haptic scores and the raw score on the verbal WISC (rp=0.43, n=62). Finally, test-retest reliability was good (rs=0.93, n=12; interval of one to two months). This new psychometric tool should prove useful to practitioners working with young people with impaired vision.

  9. Direct Measurement of the Band Structure of a Buried Two-Dimensional Electron Gas

    DEFF Research Database (Denmark)

    Miwa, Jill; Hofmann, Philip; Simmons, Michelle Y.;

    2013-01-01

    We directly measure the band structure of a buried two dimensional electron gas (2DEG) using angle resolved photoemission spectroscopy. The buried 2DEG forms 2 nm beneath the surface of p-type silicon, because of a dense delta-type layer of phosphorus n-type dopants which have been placed there. ...

  10. Two-Dimensional Structure of Disulfides and Thiols on Gold(111)

    NARCIS (Netherlands)

    Nelles, Gabriele; Schönherr, Holger; Jaschke, Manfred; Wolf, Heiko; Schaub, Matthias; Kuther, Jörg; Tremel, Wolfgang; Bamberg, Ernst; Ringsdorf, Helmut; Butt, Hans-Jürgen

    1998-01-01

    In order to find factors which determine the two-dimensional structure of self-assembled monolayers (SAMs), several classes of thiols and disulfides on gold (111) have been investigated by atomic force microscopy (AFM). SAMs were formed from a series of symmetrical and asymmetrical diethylalkanoate

  11. Model for ballistic spin-transport in ferromagnet/two-dimensional electron gas/ferromagnet structures

    NARCIS (Netherlands)

    Schapers, T; Nitta, J; Heersche, HB; Takayanagi, H

    2002-01-01

    The spin dependent conductance of a ferromagnet/two-dimensional electron gas ferromagnet structure is theoretically examined in the ballistic transport regime. It is shown that the spin signal can be improved considerably by making use of the spin filtering effect of a barrier at the ferromagnet two

  12. Signatures of beta-sheet secondary structures in linear and two-dimensional infrared spectroscopy

    NARCIS (Netherlands)

    Cheatum, CM; Tokmakoff, A; Knoester, J

    2004-01-01

    Using idealized models for parallel and antiparallel beta sheets, we calculate the linear and two-dimensional infrared spectra of the amide I vibration as a function of size and secondary structure. The model assumes transition-dipole coupling between the amide I oscillators in the sheet and account

  13. A humidity sensitive two-dimensional tunable amorphous photonic structure in the bivalve ligament of Meretrix linnaeus.

    Science.gov (United States)

    Zhang, Weigang; Zhang, Gangsheng

    2015-12-01

    A humidity sensitive two-dimensional tunable amorphous photonic structure (2D TAPS) in the bivalve ligament of Meretrix linnaeus (LML) was reported in this paper. The structural color and microstructure of LML were investigated by reflection spectra and scanning electron microscopy, respectively. The results indicate that the LML has complex structural colors from blue to orange in the wet state from ventral to dorsal, which are derived from the aragonite fiber diameter increases continuously from ventral to dorsal of the ligament. The reflection peak wavelength of the wet LML can blue-shift from 522 nm to 480 nm with the air drying time increased from 0 to 60 min, while the reflectivity decreases gradually and only a weak reflection peak at last, relevant color changes from green to light blue. The structural color in the LML is produced by a two-dimensional amorphous photonic structure consists of aligned aragonite fibers and proteins, in which the diameters of the aragonite fiber and the inter-fiber spacing are 104±11 nm and 126±16 nm, respectively. Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure, and the regulation achieved through dynamically tune the degree of order and lattice constant of the ligament in the different wet states.

  14. Coherent two-dimensional infrared spectroscopy: quantitative analysis of protein secondary structure in solution.

    Science.gov (United States)

    Baiz, Carlos R; Peng, Chunte Sam; Reppert, Mike E; Jones, Kevin C; Tokmakoff, Andrei

    2012-04-21

    We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1550-1720 cm(-1)). Sixteen proteins with known crystal structures were used to construct a library of 2DIR spectra, and the fraction of residues in α-helix, β-sheet, and unassigned conformations was determined by singular value decomposition (SVD) of the measured two-dimensional spectra. The method was benchmarked by removing each individual protein from the set and comparing the composition extracted from 2DIR against the composition determined from the crystal structures. To highlight the increased structural content extracted from 2DIR spectra a similar analysis was also carried out using conventional infrared absorption of the proteins in the library.

  15. A humidity sensitive two-dimensional tunable amorphous photonic structure in the outer layer of bivalve ligament from Sunset Siliqua.

    Science.gov (United States)

    Zhang, Weigang; Zhang, Gangsheng

    2015-01-01

    A humidity sensitive two-dimensional tunable amorphous photonic structure (2D TAPS) in the outer layer of bivalve ligament from Sunset Siliqua (OLLS) was reported in this paper. The structural color and microstructure of OLLS were investigated by reflection spectra and scanning electron microscopy, respectively. The results indicate that the reflection peak wavelength of the wet OLLS blue-shifts from 454 nm to 392 nm with the increasing of air drying time from 0 to 40 min, while the reflectivity decreases gradually and vanishes at last, relevant color changes from blue to black background color. The structural color in the OLLS is produced by a two-dimensional amorphous photonic structure consisting of aligned protein fibers, in which the diameter of protein fiber and the inter-fiber spacing are 101 ± 12 nm. Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure, and the regulation achieved through dynamically tuning the interaction between inter-fiber spacing and average refractive index.

  16. Adaptivity techniques for the computation of two-dimensional viscous flows using structured meshes

    Science.gov (United States)

    Szmelter, J.; Evans, A.; Weatherill, N. P.

    In this paper three different adaptivity techniques have been investigated on the base of structured meshes. All the techniques indicate the significance of using adaptivity for improving computational results. In particular, the technique of combining point enrichment and node movement strategies offers the best compromise. Although, the work presented here used two-dimensional structured meshes, the techniques can be readily applied to hybrid and unstructured meshes. Also, preliminary three-dimensional numerical results have been already obtained by coauthors.

  17. A Multi-Resolution Data Structure for Two-Dimensional Morse Functions

    Energy Technology Data Exchange (ETDEWEB)

    Bremer, P-T; Edelsbrunner, H; Hamann, B; Pascucci, V

    2003-07-30

    The efficient construction of simplified models is a central problem in the field of visualization. We combine topological and geometric methods to construct a multi-resolution data structure for functions over two-dimensional domains. Starting with the Morse-Smale complex we build a hierarchy by progressively canceling critical points in pairs. The data structure supports mesh traversal operations similar to traditional multi-resolution representations.

  18. Hierarchical on-surface synthesis and electronic structure of carbonyl-functionalized one- and two-dimensional covalent nanoarchitectures

    Science.gov (United States)

    Steiner, Christian; Gebhardt, Julian; Ammon, Maximilian; Yang, Zechao; Heidenreich, Alexander; Hammer, Natalie; Görling, Andreas; Kivala, Milan; Maier, Sabine

    2017-03-01

    The fabrication of nanostructures in a bottom-up approach from specific molecular precursors offers the opportunity to create tailored materials for applications in nanoelectronics. However, the formation of defect-free two-dimensional (2D) covalent networks remains a challenge, which makes it difficult to unveil their electronic structure. Here we report on the hierarchical on-surface synthesis of nearly defect-free 2D covalent architectures with carbonyl-functionalized pores on Au(111), which is investigated by low-temperature scanning tunnelling microscopy in combination with density functional theory calculations. The carbonyl-bridged triphenylamine precursors form six-membered macrocycles and one-dimensional (1D) chains as intermediates in an Ullmann-type coupling reaction that are subsequently interlinked to 2D networks. The electronic band gap is narrowed when going from the monomer to 1D and 2D surface-confined π-conjugated organic polymers comprising the same building block. The significant drop of the electronic gap from the monomer to the polymer confirms an efficient conjugation along the triphenylamine units within the nanostructures.

  19. Lennard-Jones fluids in two-dimensional nano-pores. Multi-phase coexistence and fluid structure

    Science.gov (United States)

    Yatsyshin, Petr; Savva, Nikos; Kalliadasis, Serafim

    2014-03-01

    We present a number of fundamental findings on the wetting behaviour of nano-pores. A popular model for fluid confinement is a one-dimensional (1D) slit pore formed by two parallel planar walls and it exhibits capillary condensation (CC): a first-order phase transition from vapour to capillary-liquid (Kelvin shift). Capping such a pore at one end by a third orthogonal wall forms a prototypical two-dimensional (2D) pore. We show that 2D pores possess a wetting temperature such that below this temperature CC remains of first order, above it becomes a continuous phase transition manifested by a slab of capillary-liquid filling the pore from the capping wall. Continuous CC exhibits hysteresis and can be preceded by a first-order capillary prewetting transition. Additionally, liquid drops can form in the corners of the 2D pore (remnant of 2D wedge prewetting). The three fluid phases, vapour, capillary-liquid slab and corner drops, can coexist at the pore triple point. Our model is based on the statistical mechanics of fluids in the density functional formulation. The fluid-fluid and fluid-substrate interactions are dispersive. We analyze in detail the microscopic fluid structure, isotherms and full phase diagrams. Our findings also suggest novel ways to control wetting of nano-pores. We are grateful to the European Research Council via Advanced Grant No. 247031 for support.

  20. Estimates of the statistical two-dimensional spatial structure in rain over a small network of disdrometers

    Science.gov (United States)

    Jameson, A. R.; Larsen, M. L.

    2016-06-01

    Microphysical understanding of the variability in rain requires a statistical characterization of different drop sizes both in time and in all dimensions of space. Temporally, there have been several statistical characterizations of raindrop counts. However, temporal and spatial structures are neither equivalent nor readily translatable. While there are recent reports of the one-dimensional spatial correlation functions in rain, they can only be assumed to represent the two-dimensional (2D) correlation function under the assumption of spatial isotropy. To date, however, there are no actual observations of the (2D) spatial correlation function in rain over areas. Two reasons for this deficiency are the fiscal and the physical impossibilities of assembling a dense network of instruments over even hundreds of meters much less over kilometers. Consequently, all measurements over areas will necessarily be sparsely sampled. A dense network of data must then be estimated using interpolations from the available observations. In this work, a network of 19 optical disdrometers over a 100 m by 71 m area yield observations of drop spectra every minute. These are then interpolated to a 1 m resolution grid. Fourier techniques then yield estimates of the 2D spatial correlation functions. Preliminary examples using this technique found that steadier, light rain decorrelates spatially faster than does the convective rain, but in both cases the 2D spatial correlation functions are anisotropic, reflecting an asymmetry in the physical processes influencing the rain reaching the ground not accounted for in numerical microphysical models.

  1. Assessing two-dimensional crystallization trials of small membrane proteins for structural biology studies by electron crystallography.

    Science.gov (United States)

    Johnson, Matthew C; Rudolph, Frederik; Dreaden, Tina M; Zhao, Gengxiang; Barry, Bridgette A; Schmidt-Krey, Ingeborg

    2010-10-29

    Electron crystallography has evolved as a method that can be used either alternatively or in combination with three-dimensional crystallization and X-ray crystallography to study structure-function questions of membrane proteins, as well as soluble proteins. Screening for two-dimensional (2D) crystals by transmission electron microscopy (EM) is the critical step in finding, optimizing, and selecting samples for high-resolution data collection by cryo-EM. Here we describe the fundamental steps in identifying both large and ordered, as well as small 2D arrays, that can potentially supply critical information for optimization of crystallization conditions. By working with different magnifications at the EM, data on a range of critical parameters is obtained. Lower magnification supplies valuable data on the morphology and membrane size. At higher magnifications, possible order and 2D crystal dimensions are determined. In this context, it is described how CCD cameras and online-Fourier Transforms are used at higher magnifications to assess proteoliposomes for order and size. While 2D crystals of membrane proteins are most commonly grown by reconstitution by dialysis, the screening technique is equally applicable for crystals produced with the help of monolayers, native 2D crystals, and ordered arrays of soluble proteins. In addition, the methods described here are applicable to the screening for 2D crystals of even smaller as well as larger membrane proteins, where smaller proteins require the same amount of care in identification as our examples and the lattice of larger proteins might be more easily identifiable at earlier stages of the screening.

  2. Optical gaps, mode patterns and dipole radiation in two-dimensional aperiodic photonic structures

    Science.gov (United States)

    Boriskina, Svetlana V.; Gopinath, Ashwin; Negro, Luca Dal

    2009-05-01

    Based on the rigorous generalized Mie theory solution of Maxwell's equations for dielectric cylinders we theoretically investigate the optical properties of two-dimensional deterministic structures based on the Fibonacci, Thue-Morse and Rudin-Shapiro aperiodic sequences. In particular, we investigate bandgap formation and mode localization properties in aperiodic photonic structures based on the accurate calculation of their local density of states (LDOS). In addition, we explore the potential of photonic structures based on aperiodic order for the engineering of radiative rates and emission patterns in erbium-doped silicon-rich nitride photonic structures.

  3. Structural information in two-dimensional patterns: entropy convergence and excess entropy.

    Science.gov (United States)

    Feldman, David P; Crutchfield, James P

    2003-05-01

    We develop information-theoretic measures of spatial structure and pattern in more than one dimension. As is well known, the entropy density of a two-dimensional configuration can be efficiently and accurately estimated via a converging sequence of conditional entropies. We show that the manner in which these conditional entropies converge to their asymptotic value serves as a measure of global correlation and structure for spatial systems in any dimension. We compare and contrast entropy convergence with mutual-information and structure-factor techniques for quantifying and detecting spatial structure.

  4. Surface Plasmon Polaritons of Two-Dimensional Three-Order Dendritic Structures

    Institute of Scientific and Technical Information of China (English)

    王敏凤; 周鲁卫

    2011-01-01

    We study surface plasmon polaritons excited on two-dimensional three-order dendritic structures. Previous studies show that split ring resonators (SRRs) can be used to obtain magnetic resonance, thus sustairdng surface waves behaving like surface plasmon polaritons (SPPs). In this paper, we obtain detailed results on surface plasmon polaritons of several different grating structures and theoretically prove that this kind of structures can sustain SPPs. Besides, since dendritic structures can be fabricated by double template-assisted electrochemical deposition, it is worth noting that fabrication of SPP-based materials might be much easier.

  5. Two dimensional structural analysis of reactor fuel element claddings due to local effects

    Energy Technology Data Exchange (ETDEWEB)

    Karimi, R; Wolf, L

    1978-04-01

    Two dimensional thermoelastic and inelastic stresses and deformation of typical LWR (PWR) and LMFBR (CRBR) claddings are evaluated by utilizing the following codes, for (1) Thermoelastic analysis (a) STRESS Code (b) SEGPIPE Code (2) Thermoinelastic analysis (a) Modified version of the GOGO code (b) One dimensional GRO-II code. The primary objective of this study is to analyze the effect of various local perturbations in the clad temperature field, namely eccentrically mounted fuel pellet, clad ovality, power tilt across the fuel and clad-coolant heat transfer variation on the cladding stress and deformation. In view of the fact that the thermoelastic analysis is always the first logical choice entering the structural field, it was decided to start the analysis with the two dimensional codes such as STRESS and SEGPIPE. Later, in order to assess the validity and compare the thermoelastic results to those obtained for actual reactor conditions, a two dimensional code, namely a modified version of the GOGO code, was used to account for inelastic effects such as irradiation and thermal creep and swelling in the evaluation. The comparison of thermoelastic and inelastic results shows that the former can be used effectively to analyze LWR fuel pin over 350 hours of lifetime under the most adverse condition and 500 hours of lifetime for an LMFBR fuel pin. Beyond that the inelastic solution must be used. The impact of the individual thermal perturbation and combinations thereof upon the structural quantity is also shown. Finally, the effect of rod displacement on the two dimensional thermal and structural quantities of the LMFBR fuel pin cladding is analyzed.

  6. Axis and velocity determination for quasi two-dimensional plasma/field structures from Faraday's law: A second look

    Science.gov (United States)

    Sonnerup, Bengt U. Ö.; Denton, Richard E.; Hasegawa, Hiroshi; Swisdak, M.

    2013-05-01

    We re-examine the basic premises of a single-spacecraft data analysis method, developed by Sonnerup and Hasegawa (2005), for determining the axis orientation and proper frame velocity of quasi two-dimensional, quasi-steady structures of magnetic field and plasma. The method, which is based on Faraday's law, makes use of magnetic and electric field data measured by a single spacecraft traversing the structure, although in many circumstances the convection electric field, - v × B, can serve as a proxy for E. It has been used with success for flux ropes observed at the magnetopause but has usually failed to provide acceptable results when applied to real space data from reconnection events as well as to virtual data from numerical MHD simulations of such events. In the present paper, the reasons for these shortcomings are identified, analyzed, and discussed in detail. Certain basic properties of the method are presented in the form of five theorems, the last of which makes use of singular value decomposition to treat the special case where the magnetic variance matrix is non-invertible. These theorems are illustrated using data from analytical models of flux ropes and also from MHD simulations as well as a 2-D kinetic simulation of reconnection. The results make clear that the method requires the presence of a significant, non-removable electric field distribution in the plane transverse to the invariant direction and that it is sensitive to deviations from strict two-dimensionality and strict time stationarity.

  7. Two-dimensional microwave band-gap structures of different dielectric materials

    Indian Academy of Sciences (India)

    E D V Nagesh; G Santosh Babu; V Subramanian; V Sivasubramanian; V R K Murthy

    2005-12-01

    We report the use of low dielectric constant materials to form two-dimensional microwave band-gap structures for achieving high gap-to-midgap ratio. The variable parameters chosen are the lattice spacing and the geometric structure. The selected geometries are square and triangular and the materials chosen are PTFE ( = 2.1), PVC ( = 2.38) and glass ( = 5.5). Using the plane-wave expansion method, proper lattice spacing is selected for each structure and material. The observed experimental results are analyzed with the help of the theoretical prediction.

  8. Cut-wire-pair structures as two-dimensional magnetic metamaterials.

    Science.gov (United States)

    Powell, David A; Shadrivov, Ilya V; Kivshar, Yuri S

    2008-09-15

    We study numerically and experimentally magnetic metamaterials based on cut-wire pairs instead of split-ring resonators. The cut-wire pair planar structure is extended in order to create a truly two-dimensional metamaterial suitable for scaling to optical frequencies. We fabricate the cut-wire metamaterial operating at microwave frequencies with lattice spacing around 10% of the free-space wavelength, and find good agreement with direct numerical simulations. Unlike the structures based on split-ring resonators, the nearest-neighbor coupling in cut-wire pairs can result in a magnetic stop-band with propagation in the transverse direction.

  9. Electronic structure and optical properties of the single crystal and two-dimensional structure of CdWO{sub 4} from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Babamoradi, Mohsen, E-mail: babamoradi@iust.ac.ir [Department of Physics, Iran University of Science and Technology, Narmak, 16846-13114 Tehran (Iran, Islamic Republic of); Liyai, Mohammad Reza [Department of Physics, Iran University of Science and Technology, Narmak, 16846-13114 Tehran (Iran, Islamic Republic of); Azimirad, Rouhollah, E-mail: azimirad@yahoo.com [Malek-Ashtar University of Technology, Tehran (Iran, Islamic Republic of); Salehi, Hamdollah, E-mail: salehi_h@scu.ac.ir [Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of)

    2017-04-15

    In this paper, we have investigated the electronic structure and optical properties of the single crystal and two-dimensional (2D) structure of cadmium tungstate (CdWO{sub 4}). This investigation includes calculation of the density of states (DOS), dielectric tensor elements and reflectivity. All the calculations have been done by full potential augmented plane waves plus local orbitals (FP-APW+lo) with Wien2k code. The calculated band gaps for the single crystal and 2D structure along [010] direction are 4.2 and 5.02 eV, respectively. The results show that in the 2D structure of CdWO{sub 4}, the electron density of the surface oxygen atoms is much more than the electron density of the inside oxygen atoms. This difference in the density has the main role in the optical properties. The results of the dielectric tensor elements and reflectivity for the single crystal are in good agreement with the experimental values. The results of the dielectric tensor elements and reflectivity for the 2D structure in comparison with the single crystal have shown that the intensity and place of the calculated peaks reduced and shifted, respectively. These results can be related to the surface oxygen atoms and thickness of the 2D structure.

  10. The octamer motif in immunoglobulin genes: extraction of structural constraints from two-dimensional NMR studies.

    Science.gov (United States)

    Weisz, K; Shafer, R H; Egan, W; James, T L

    1992-08-25

    Phase-sensitive two-dimensional nuclear Overhauser enhancement (2D NOE) and double-quantum-filtered correlated (2QF-COSY) spectra were recorded at 500 MHz for the DNA duplex d(CATTTGCATC).d(GATGCAAATG), which contains the octamer element of immunoglobulin genes. Exchangeable and nonexchangeable proton resonances including those of the H5' and H5" protons were assigned. Overall, the decamer duplex adopts a B-type DNA conformation. Scalar coupling constants for the sugar protons were determined by quantitative simulations of 2QF-COSY cross-peaks. These couplings are consistent with a two-state dynamic equilibrium between a minor N- and a major S-type conformer for all residues. The pseudorotation phase angle P of the major conformer is in the range 117-135 degrees for nonterminal pyrimidine nucleotides and 153-162 degrees for nonterminal purine nucleotides. Except for the terminal residues, the minor conformer comprises less than 25% of the population. Distance constraints obtained by a complete relaxation matrix analysis of the 2D NOE intensities with the MARDIGRAS algorithm confirm the dependence of the sugar pucker on pyrimidine and purine bases. Averaging by fast local motions has at most small effects on the NOE-derived interproton distances.

  11. Wave transmission through two-dimensional structures by the hybrid FE/WFE approach

    Science.gov (United States)

    Mitrou, Giannoula; Ferguson, Neil; Renno, Jamil

    2017-02-01

    The knowledge of the wave transmission and reflection characteristics in connected two-dimensional structures provides the necessary background for many engineering prediction methodologies. Extensive efforts have previously been exerted to investigate the propagation of waves in two-dimensional periodic structures. This work focuses on the analysis of the wave propagation and the scattering properties of joined structures comprising of two or more plates. The joint is modelled using the finite element (FE) method whereas each (of the joined) plate(s) is modelled using the wave and finite element (WFE) method. This latter approach is based on post-processing a standard FE model of a small segment of the plate using periodic structure theory; the FE model of the segment can be obtained using any commercial/in-house FE package. Stating the equilibrium and continuity conditions at the interfaces and expressing the motion in the plates in terms of the waves in each plate yield the reflection and transmission matrices of the joint. These can then be used to obtain the response of the whole structure, as well as investigating the frequency and incidence dependence for the flow of power in the system.

  12. Two-dimensional infrared spectroscopic study on the thermally induced structural changes of glutaraldehyde-crosslinked collagen.

    Science.gov (United States)

    Tian, Zhenhua; Wu, Kun; Liu, Wentao; Shen, Lirui; Li, Guoying

    2015-04-05

    The thermal stability of collagen solution (5 mg/mL) crosslinked by glutaraldehyde (GTA) [GTA/collagen (w/w)=0.5] was measured by differential scanning calorimetry and Fourier transform infrared spectroscopy (FTIR), and the thermally induced structural changes were analyzed using two-dimensional (2D) correlation spectra. The denaturation temperature (Td) and enthalpy change (ΔH) of crosslinked collagen were respectively about 27°C and 88 J/g higher than those of native collagen, illuminating the thermal stability increased. With the increase of temperature, the red-shift of absorption bands and the decreased AIII/A1455 value obtained from FTIR spectra indicated that hydrogen bonds were weakened and the unwinding of triple helix occurred for both native and crosslinked collagens; whereas the less changes in red-shifting and AIII/A1455 values for crosslinked collagen also confirmed the increase in thermal stability. Additionally, the 2D correlation analysis provided information about the thermally induced structural changes. In the 2D synchronous spectra, the intensities of auto-peaks at 1655 and 1555 cm(-1), respectively assigned to amide I band (CO stretching vibration) and amide II band (combination of NH bending and CN stretching vibrations) in helical conformation were weaker for crosslinked collagen than those for native collagen, indicating that the helical structure of crosslinked collagen was less sensitive to temperature. Moreover, the sequence of the band intensity variations showed that the band at 1555 cm(-1) moved backwards owing to the addition of GTA, demonstrating that the response of helical structure of crosslinked collagen to the increased temperature lagged. It was speculated that the stabilization of collagen by GTA was due to the reinforcement of triple helical structure.

  13. Wake structure and thrust generation of a flapping foil in two-dimensional flow

    DEFF Research Database (Denmark)

    Andersen, Anders Peter; Bohr, Tomas; Schnipper, Teis

    2017-01-01

    We present a combined numerical (particle vortex method) and experimental (soap film tunnel) study of a symmetric foil undergoing prescribed oscillations in a two-dimensional free stream. We explore pure pitching and pure heaving, and contrast these two generic types of kinematics. We compare...... measurements and simulations when the foil is forced with pitching oscillations, and we find a close correspondence between flow visualisations using thickness variations in the soap film and the numerically determined vortex structures. Numerically, we determine wake maps spanned by oscillation frequency...

  14. T-shaped polarization beam splitter based on two-dimensional photonic crystal waveguide structures

    Science.gov (United States)

    Li, Xinlan; Shen, Hongjun; Li, Ting; Liu, Jie; Huang, Xianjian

    2016-12-01

    A T-shaped polarization beam splitter based on two-dimensional photonic crystal is proposed, which is composed of three waveguides: one input and two output. Unpolarized beams incident from the input port will be separated into two different polarization modes and outputted individually by two different coupling structures. Simulation results can be obtained by the finite-difference time-domain (FDTD) method. In the normalized frequency range of 0.3456 extinction ratio is all 30dB for both modes. The polarization beam splitter attains the requirement we expected by analyzing simulation results.

  15. Flexural vibration band gaps in thin plates with two-dimensional binary locally resonant structures

    Institute of Scientific and Technical Information of China (English)

    Yu Dian-Long; Wang Gang; Liu Yao-Zong; Wen Ji-Hong; Qiu Jing

    2006-01-01

    The complete flexural vibration band gaps are studied in the thin plates with two-dimensional binary locally resonant structures, i.e. the composite plate consisting of soft rubber cylindrical inclusions periodically placed in a host material. Numerical simulations show that the low-frequency gaps of flexural wave exist in the thin plates. The width of the first gap decreases monotonically as the matrix density increases. The frequency response of the finite periodic thin plates is simulated by the finite element method, which provides attenuations of over 20dB in the frequency range of the band gaps. The findings will be significant in the application of phononic crystals.

  16. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    Science.gov (United States)

    Jensen, J. S.

    2003-10-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous damping, and imperfections are studied by analyzing two examples; a 1-D filter and a 2-D wave guide. In 1-D the structural response in the band gap is shown to be insensitive to damping and small imperfections. In 2-D the similar effect of damping is noted for one type of periodic structure, whereas for another type the band gap effect is nearly eliminated by damping. In both 1-D and 2-D it is demonstrated how the free structural boundaries affect the response in the band gap due to local resonances. Finally, 2-D wave guides are considered by replacing the periodic structure with a homogeneous structure in a straight and a 90° bent path, and it is shown how the vibrational response is confined to the paths in the band gap frequency ranges.

  17. Investigating protein structure and folding with coherent two-dimensional infrared spectroscopy

    Science.gov (United States)

    Baiz, Carlos; Peng, Chunte; Reppert, Michael; Jones, Kevin; Tokmakoff, Andrei

    2012-02-01

    We present a new technique to quantitatively determine the secondary structure composition of proteins in solution based on ultrafast two-dimensional infrared (2DIR) spectroscopy. The percentage of residues in alpha-helix, beta-sheet, and unstructured conformations is extracted from a principal component analysis of the measured amide-I 2DIR spectra. We benchmark the method against a library of commercially-available proteins by comparing the predicted structure compositions with the x-ray crystal structures. The new technique offers sub-picosecond time resolution, and can be used to study systems that are difficult to study with conventional methods such as gels, intrinsically disordered peptides, fibers, and aggregates. We use the technique to investigate the structural changes and timescales associated with folding and denaturing of small proteins via equilibrium and transient temperature-jump 2DIR spectroscopy.

  18. Dynamics and Structure of Disordered Peptides from Two-Dimensional Infrared Spectroscopy

    Science.gov (United States)

    Reppert, Mike; Lessing, Joshua; Peng, Chunte; Jones, Kevin; Baiz, Carlos; Tokmakoff, Andrei

    2012-02-01

    Two-dimensional infrared (IR) spectroscopy is a powerful tool for investigating the ultra-fast dynamics and association of complex biological macromolecules such as proteins and DNA. In addition to the improved spectral discrimination afforded by a two-dimensional spectrum, the ultra-fast time-resolution inherent to the technique provides unique insight (unobtainable by standard linear IR measurements) into the time-scales of macromolecular conformational fluctuations, particularly for intrinsically disordered systems. Here we discuss the use of accurate line shape modeling of peptide amide I vibrations as an advanced method for extracting structural and dynamic information from experimental spectra. The mixed quantum-classical model makes use of standard MD trajectories and a parametrized site energy and coupling map as inputs for excitonic calculations of the delocalized amide I vibrations. We present examples of the application of this method to extract site-specific structural information (such as hydrogen bond number and turn conformation) as well as insight into conformation dynamics and time-scales from experimental data for disordered peptides.

  19. Isotopological Relaxation, Coherent Structures, and Gaussian Turbulence in Two-Dimensional Magnetohydrodynamics

    CERN Document Server

    Isichenko, M B

    1994-01-01

    The long-time relaxation of ideal two dimensional magnetohydrodynamic turbulence subject to the conservation of two infinite families of constants of motion---the magnetic and the "cross" topology invariants--is examined. The analysis of the Gibbs ensemble, where all integrals of motion are respected, predicts the initial state to evolve into an equilibrium, stable coherent structure (the most probable state) and decaying Gaussian turbulence (fluctuations) with a vanishing, but always positive temperature. The non-dissipative turbulence decay is accompanied by decrease in both the amplitude and the length scale of the fluctuations, so that the fluctuation energy remains finite. The coherent structure represents a set of singular magnetic islands with plasma flow whose magnetic topology is identical to that of the initial state, while the energy and the cross topology invariants are shared between the coherent structure and the Gaussian turbulence. These conservation laws suggest the variational principle of i...

  20. The mechanical and acoustic properties of two-dimensional pentamode metamaterials with different structural parameters

    Science.gov (United States)

    Cai, Xuan; Wang, Lei; Zhao, Zhigao; Zhao, Aiguo; Zhang, Xiangdong; Wu, Tao; Chen, Hong

    2016-09-01

    The effective mechanical and acoustic properties of two-dimensional pentamode metamaterials (PMs) with different structural parameters are investigated in this paper. It is found that with varying structural parameters, the effective bulk modulus and density remain constant as the same as those of water, while the figure of merit, i.e., the ratio of the bulk modulus to the shear modulus (B/G) gradually increases due to the decrease of the shear modulus. However, full wave simulations reveal that with the increase of B/G, the acoustic scattering becomes more and more intense, which indicates that the acoustic properties of pentamode metamaterials gradually deviate from those of water. These anomalous acoustic behaviors are proposed to arise from the existence of the bending modes in pentamode microstructures. Our results show that for pentamode metamaterials, the mechanical properties cannot be simply translated to their acoustic properties, and the structural parameters affect the mechanical and acoustic properties in much different ways.

  1. Two-dimensional IR spectroscopy and segmental 13C labeling reveals the domain structure of human γD-crystallin amyloid fibrils.

    Science.gov (United States)

    Moran, Sean D; Woys, Ann Marie; Buchanan, Lauren E; Bixby, Eli; Decatur, Sean M; Zanni, Martin T

    2012-02-28

    The structural eye lens protein γD-crystallin is a major component of cataracts, but its conformation when aggregated is unknown. Using expressed protein ligation, we uniformly (13)C labeled one of the two Greek key domains so that they are individually resolved in two-dimensional (2D) IR spectra for structural and kinetic analysis. Upon acid-induced amyloid fibril formation, the 2D IR spectra reveal that the C-terminal domain forms amyloid β-sheets, whereas the N-terminal domain becomes extremely disordered but lies in close proximity to the β-sheets. Two-dimensional IR kinetics experiments show that fibril nucleation and extension occur exclusively in the C-terminal domain. These results are unexpected because the N-terminal domain is less stable in the monomer form. Isotope dilution experiments reveal that each C-terminal domain contributes two or fewer adjacent β-strands to each β-sheet. From these observations, we propose an initial structural model for γD-crystallin amyloid fibrils. Because only 1 μg of protein is required for a 2D IR spectrum, even poorly expressing proteins can be studied under many conditions using this approach. Thus, we believe that 2D IR and protein ligation will be useful for structural and kinetic studies of many protein systems for which IR spectroscopy can be straightforwardly applied, such as membrane and amyloidogenic proteins.

  2. Two-dimensional MoS2 under ion irradiation: from controlled defect production to electronic structure engineering

    Science.gov (United States)

    Ghorbani-Asl, Mahdi; Kretschmer, Silvan; Spearot, Douglas E.; Krasheninnikov, Arkady V.

    2017-06-01

    Two-dimensional (2D) transition metal dichalcogenides (TMDs), like MoS2, have unique electronic and optical properties, which can further be tuned using ion bombardment and post-synthesis ion-beam mediated methods combined with exposure of the irradiated sample to precursor gases. The optimization of these techniques requires a complete understanding of the response of 2D TMDs to ion irradiation, which is affected by the reduced dimensionality of the system. By combining analytical potential molecular dynamics with first-principles calculations, we study the production of defects in free-standing MoS2 sheets under noble gas ion irradiation for a wide range of ion energies when nuclear stopping dominates, and assess the probabilities for different defects to appear. We show that depending on the incident angle, ion type and energy, sulfur atoms can be sputtered away predominantly from the top or bottom layers, creating unique opportunities for engineering mixed MoSX compounds where X are chemical elements from group V or VII. We study the electronic structure of such systems, demonstrate that they can be metals, and finally discuss how metal/semiconductor/metal junctions, which exhibit negative differential resistance, can be designed using focused ion beams combined with the exposure of the system to fluorine.

  3. Binding energy of two-dimensional biexcitons

    DEFF Research Database (Denmark)

    Singh, Jai; Birkedal, Dan; Vadim, Lyssenko;

    1996-01-01

    Using a model structure for a two-dimensional (2D) biexciton confined in a quantum well, it is shown that the form of the Hamiltonian of the 2D biexciton reduces into that of an exciton. The binding energies and Bohr radii of a 2D biexciton in its various internal energy states are derived...... analytically using the fractional dimension approach. The ratio of the binding energy of a 2D biexciton to that of a 2D exciton is found to be 0.228, which agrees very well with the recent experimental value. The results of our approach are compared with those of earlier theories....

  4. Two-dimensional deterministic photonic band gap structures based on the quasiperiodic sequences at millimeter wave frequencies

    Directory of Open Access Journals (Sweden)

    Y. Trabelsi

    2011-08-01

    Full Text Available Two-dimensional quasi-periodic band gap structures were investigated theoretically in microwave frequency range. Quasiperiodic photonic crystal based on the square range, arranged in a quasi-periodical fashion which follows Thue Morse or Fibonaci period substitutional sequences were obtained by the inflation rules emerging from the quasi-periodic sequence. The introduction of 2D quasi-periodicity distribution like Thue Morse or Fibonacci order and deterministic aperiodicity give some interesting microwave properties and offers amultitude of adjacent pseudo-band gap in different frequency range. The potential of photonic structures are explored by varying the structural parameters. The photonic band gap formation was explored as function of geometries of the structures such as pillar radius and parameters of quasi-periodical sequences. The electromagnetic field distribution can be described as a quasi-localized state varied by some defect carried by Thue Morse order. These structures provide interesting properties, which could be used to design novelmicrowave devices.

  5. Validating two-dimensional leadership models on three-dimensionally structured fish schools

    Science.gov (United States)

    Nagy, Máté; Holbrook, Robert I.; Biro, Dora; Burt de Perera, Theresa

    2017-01-01

    Identifying leader–follower interactions is crucial for understanding how a group decides where or when to move, and how this information is transferred between members. Although many animal groups have a three-dimensional structure, previous studies investigating leader–follower interactions have often ignored vertical information. This raises the question of whether commonly used two-dimensional leader–follower analyses can be used justifiably on groups that interact in three dimensions. To address this, we quantified the individual movements of banded tetra fish (Astyanax mexicanus) within shoals by computing the three-dimensional trajectories of all individuals using a stereo-camera technique. We used these data firstly to identify and compare leader–follower interactions in two and three dimensions, and secondly to analyse leadership with respect to an individual's spatial position in three dimensions. We show that for 95% of all pairwise interactions leadership identified through two-dimensional analysis matches that identified through three-dimensional analysis, and we reveal that fish attend to the same shoalmates for vertical information as they do for horizontal information. Our results therefore highlight that three-dimensional analyses are not always required to identify leader–follower relationships in species that move freely in three dimensions. We discuss our results in terms of the importance of taking species' sensory capacities into account when studying interaction networks within groups.

  6. Mode shape combination in a two-dimensional vibration energy harvester through mass loading structural modification

    Energy Technology Data Exchange (ETDEWEB)

    Sharpes, Nathan; Kumar, Prashant [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Abdelkefi, Abdessattar; Abdelmoula, Hichem [Department of Mechanical and Aerospace Engineering, New Mexico State University, Las Cruces, New Mexico 88003 (United States); Adler, Jan [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Institute of Dynamics and Vibration Research (IDS), Leibniz Universität, Hannover 30167 (Germany); Priya, Shashank [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Bio-Inspired Materials and Devices Laboratory (BMDL), Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2016-07-18

    Mode shapes in the design of mechanical energy harvesters, as a means of performance increase, have been largely overlooked. Currently, the vast majority of energy harvester designs employ some variation of a single-degree-of-freedom cantilever, and the mode shapes of such beams are well known. This is especially true for the first bending mode, which is almost exclusively the chosen vibration mode for energy harvesting. Two-dimensional beam shapes (those which curve, meander, spiral, etc., in a plane) have recently gained research interest, as they offer freedom to modify the vibration characteristics of the harvester beam for achieving higher power density. In this study, the second bending mode shape of the “Elephant” two-dimensional beam shape is examined, and its interaction with the first bending mode is evaluated. A combinatory mode shape created by using mass loading structural modification to lower the second bending modal frequency was found to interact with the first bending mode. This is possible since the first two bending modes do not share common areas of displacement. The combined mode shape is shown to produce the most power of any of the considered mode shapes.

  7. Modeling and process design for laser interference lithography used in fabricating two-dimensional periodic structures

    NARCIS (Netherlands)

    Bostan, C.G.; Ridder, de R.M.; Dorssen, van I.; Wolferen, van H.A.G.M.; Kuipers, L.; Hulst, van N.F.

    2002-01-01

    Laser interference lithography (LIL) is a technique that can be successfully used for realization of 2D periodic structures, with excellent uniformity over large areas. However, detailed modeling is needed in order to extract the optimum design parameters. In this paper, we refer to a design procedu

  8. Linear Two-Dimensional MHD of Accretion Disks: Crystalline structure and Nernst coefficient

    CERN Document Server

    Montani, Giovanni

    2009-01-01

    We analyse the two-dimensional MHD configurations characterising the steady state of the accretion disk on a highly magnetised neutron star. The model we describe has a local character and represents the extension of the crystalline structure outlined in Coppi (2005), dealing with a local model too, when a specific accretion rate is taken into account. We limit our attention to the linearised MHD formulation of the electromagnetic back-reaction characterising the equilibrium, by fixing the structure of the radial, vertical and azimuthal profiles. Since we deal with toroidal currents only, the consistency of the model is ensured by the presence of a small collisional effect, phenomenologically described by a non-zero constant Nernst coefficient (thermal power of the plasma). Such an effect provides a proper balance of the electron force equation via non zero temperature gradients, related directly to the radial and vertical velocity components. We show that the obtained profile has the typical oscillating feat...

  9. The Two-dimensional ElectromagneticScattering from Periodic Chiral Structures and Its Finite Element Approximation

    Institute of Scientific and Technical Information of China (English)

    张德悦; 马富明

    2004-01-01

    In this paper, we consider the electromagnetic scattering from periodic chiral structures. The structure is periodic in one direction and invariant in another direction. The electromagnetic fields in the chiral medium are governed by the Maxwell equations together with the Drude-Born-Fedorov equations. We simplify the problem to a two-dimensional scattering problem and we show that for all but possibly a discrete set of wave numbers, there is a unique quasi-periodic weak solution to the diffraction problem. The diffraction problem can be solved by finite element method. We also establish uniform error estimates for the finite element method and the error estimates when the truncation of the nonlocal transparent boundary operators takes place.

  10. Ordered quasi-two-dimensional structure of nanoparticles in semiflexible ring polymer brushes under compression

    Science.gov (United States)

    Hua, Yunfeng; Deng, Zhenyu; Jiang, Yangwei; Zhang, Linxi

    2017-06-01

    Molecular dynamics simulations of a coarse-grained bead-spring model of ring polymer brushes under compression are presented. Flexible polymer brushes are always disordered during compression, whereas semiflexible polymer brushes tend to be ordered under sufficiently strong compression. Further, the polymer monomer density of the semiflexible polymer brush is very high near the brush surface, inducing a peak value of the free energy near the surface. Therefore, when nanoparticles are compressed in semiflexible ring polymer brushes, they tend to exhibit a closely packed single-layer structure between the brush surface and the impenetrable wall, and a quasi-two-dimensional ordered structure near the brush surface is formed under strong compression. These findings provide a new approach to designing responsive applications.

  11. An Optical Power Divider Based on Two-dimensional Photonic Crystal Structure

    Science.gov (United States)

    Mesri, Nazanin; Alipour-Banaei, Hamed

    2017-05-01

    In this paper, an optical power divider with one input and four outputs has been proposed in a two-dimensional photonic crystal with triangular lattice and simulated using dielectric holes in an air substrate. The dividing properties of the power divider have been numerically simulated and analyzed using the plane wave expansion and finite difference time domain methods. The results show that the transmittance of this divider can be as high as 94.22 % for λ=1.55 µm; thus, the proposed structure is suitable for wavelength division multiplexing communication systems. Also, due to the small footprint of the proposed structure, this optical power divider is applicable for optical-integrated circuit design.

  12. Identification of the dynamics of a two-dimensional grid structure using least square lattice filters

    Science.gov (United States)

    Montgomery, R. C.; Sundararajan, N.

    1984-01-01

    The basic theory of least square lattice filters and their use in identification of structural dynamics systems is summarized. Thereafter, this theory is applied to a two-dimensional grid structure made of overlapping bars. Previously, this theory has been applied to an integral beam. System identification results are presented for both simulated and experimental tests and they are compared with those predicted using finite element modelling. The lattice filtering approach works well for simulated data based on finite element modelling. However, considerable discrepancy exists between estimates obtained from experimental data and the finite element analysis. It is believed that this discrepancy is the result of inadequacies in the finite element modelling to represent the damped motion of the laboratory apparatus.

  13. Two-dimensional HRCT for monitoring postoperative results of the anterior cruciate ligament reconstruction. Zweidimensionale (2-D) CT-Arthrotomographie zur postoperativen Kontrolle einer neuen vorderen Kreuzbandplastik

    Energy Technology Data Exchange (ETDEWEB)

    Tosch, U.; Witt, H. (Freie Univ. Berlin (Germany, F.R.). Roentgendiagnostisches Zentralinstitut); Hertel, P.; Lais, E. (Freie Univ. Berlin (Germany, F.R.). Unfallchirurgische Klinik)

    1989-11-01

    Fifty-eight patients underwent intraarticular reconstruction of the anterior cruciate ligament. This was performed by using an autogenous transplant from the mid portion of the patellar ligament with a proximal and distal bone block, as described by Hertel. For comparison with the conventional X-ray examination, HRCT was performed to study the early postoperative results. In four patients (7%) dislocation of the bone block in the femoral condyle was seen. Two-dimensional reconstruction proved to be a satisfactory method for demonstration of the exact position of the autogenous transplant in both coronary and sagittal planes. (orig.).

  14. New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Kecai; Liu, Wei [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Teat, Simon J. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); An, Litao; Wang, Hao; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Li, Jing, E-mail: jingli@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States)

    2015-10-15

    Two new hybrid lead halides (H{sub 2}BDA)[PbI{sub 4}] (1) (H{sub 2}BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI{sub 3}] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations.

  15. Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bizimana, Laurie A.; Brazard, Johanna; Carbery, William P.; Gellen, Tobias; Turner, Daniel B., E-mail: dturner@nyu.edu [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003 (United States)

    2015-10-28

    Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

  16. Calculation and analysis of complex band structure in dispersive and dissipative two-dimensional photonic crystals

    CERN Document Server

    Brûlé, Yoann; Gralak, Boris

    2015-01-01

    Numerical calculation of modes in dispersive and absorptive systems is performed using the finite element method. The dispersion is tackled in the frame of an extension of Maxwell's equations where auxiliary fields are added to the electromagnetic field. This method is applied to multi-domain cavities and photonic crystals including Drude and Drude-Lorentz metals. Numerical results are compared to analytical solutions for simple cavities and to previous results of the literature for photonic crystals, showing excellent agreement. The advantages of the developed method lie on the versatility of the finite element method regarding geometries, and in sparing the use of tedious complex poles research algorithm. Hence the complex spectrum of resonances of non-hermitian operators and dissipative systems, like two-dimensional photonic crystal made of absorbing Drude metal, can be investigated in detail. The method is used to reveal unexpected features of their complex band structures.

  17. Two-dimensional modeling of electrochemical and transport phenomena in the porous structures of a PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Sahraoui, Melik [Institut Preparatoire aux Etudes d' Ingenieurs de Tunis (IPEIT) (Tunisia); Kharrat, Chafik; Halouani, Kamel [UR: Micro-Electro-Thermal Systems (METS-ENIS), Industrial Energy Systems Group, Institut Preparatoire aux Etudes d' Ingenieurs de Sfax (IPEIS), University of Sfax, B.P: 1172, 3018 Sfax (Tunisia)

    2009-04-15

    A two-dimensional CFD model of PEM fuel cell is developed by taking into account the electrochemical, mass and heat transfer phenomena occurring in all of its regions simultaneously. The catalyst layers and membrane are each considered as distinct regions with finite thickness and calculated properties such as permeability, local protonic conductivity, and local dissolved water diffusion. This finite thickness model enables to model accurately the protonic current in these regions with higher accuracy than using an infinitesimal interface. In addition, this model takes into account the effect of osmotic drag in the membrane and catalyst layers. General boundary conditions are implemented in a way taking into consideration any given species concentration at the fuel cell inlet, such as water vapor which is a very important parameter in determining the efficiency of fuel cells. Other operating parameters such as temperature, pressure and porosity of the porous structure are also investigated to characterize their effect on the fuel cell efficiency. (author)

  18. Transport Properties of Two-Dimensional Electron Gases in Antiparallel Magnetic-Electric Barrier Structures

    Institute of Scientific and Technical Information of China (English)

    PING Yun-Xia; CHENG Ze

    2006-01-01

    We study theoretically transport properties of two-dimensional electron gases through antiparallel magnetic electric barrier structures. Two kinds of magnetic barrier configurations are employed: one is that the strength of the double δ-function in opposite directions is equal and the other is that the strength is unequal. Similarities and differences of electronic transports are presented. It is found that the transmission and the conductance depend strongly on the shape of the magnetic barrier and the height of the electric barrier. The results indicate that this system does not possess any spin filtering and spin polarization and electron gases can realize perfect resonant tunneling and wave-vector filtering properties. Moreover, the strength of the effect of the inhomogeneous magnetic field on the transport properties is discussed.

  19. Two-dimensional NMR and structure determination of salmon calcitonin in methanol

    Energy Technology Data Exchange (ETDEWEB)

    Meadows, R.P.; Nikonowicz, E.P.; Jones, C.R.; Gorenstein, D.G. (Purdue Univ., Lafayette, IN (USA)); Bastian, J.W.

    1991-02-05

    The structure of the 32-residue peptide salmon calcitonin (sCT) in 90% MeOH-10% H{sub 2}O has been investigated by two-dimensional NMR techniques and molecular modeling. Sequential assignments for nearly all of the 32 spin systems have been obtained, and results indicate that the heptaresidue loop formed by the disulfide bond between Cys-1 and Cys-7 is followed by an {alpha}-helical segment from Val-8 through Tyr-22. A region of conformational heterogeneity is observed for residues 20-25, resulting from the slow isomerism of the cis and trans forms of Pro-23. The C-terminal segment is found to exist in an extended conformation.

  20. Structure of the novel steroidal antibiotic squalamine determined by two-dimensional NMR spectroscopy.

    Science.gov (United States)

    Wehrli, S L; Moore, K S; Roder, H; Durell, S; Zasloff, M

    1993-08-01

    Squalamine is a novel aminosterol recently isolated from the dogfish shark, Squalus acanthias. This water-soluble steroid exhibits potent antibacterial activity against both gram-negative and gram-positive bacteria. In addition, squalamine is fungicidal and induces osmotic lysis of protozoa. We report here the structural determination of squalamine, 3 beta-N-1-[N(3-[4-aminobutyl])-1,3 diaminopropane]-7 alpha,24 zeta-dihydroxy-5 alpha-cholestane 24-sulfate, which was deduced from the analysis of fast atom bombardment spectra and a series of two-dimensional nuclear magnetic resonance (NMR) spectra. Squalamine is a cationic steroid characterized by a condensation of an anionic bile salt intermediate with the polyamine, spermidine. This molecule is a potential host-defense agent in the shark, and provides insight into a new class of vertebrate antimicrobial molecules.

  1. Dual curved photonic crystal ring resonator based channel drop filter using two-dimensional photonic crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com [Deptt. of Electronics and Communication Engineering, Government Engineering College Ajmer Rajasthan INDIA (India); Dusad, Lalit Kumar [Rajasthan Technical University Kota, Rajasthan (India)

    2016-05-06

    In this paper channel drop filter (CDF) is designed using dual curved photonic crystal ring resonator (PCRR). The photonic band gap (PBG) is calculated by plane wave expansion (PWE) method and the photonic crystal (PhC) based on two dimensional (2D) square lattice periodic arrays of silicon (Si) rods in air structure have been investigated using finite difference time domain (FDTD) method. The number of rods in Z and X directions is 21 and 20 respectively with lattice constant 0.540 nm and rod radius r = 0.1 µm. The channel drop filter has been optimized for telecommunication wavelengths λ = 1.591 µm with refractive indices 3.533. In the designed structure further analysis is also done by changing whole rods refractive index and it has been observed that this filter may be used for filtering several other channels also. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

  2. Aluminum-based one- and two-dimensional micro fin array structures: high-throughput fabrication and heat transfer testing

    Science.gov (United States)

    Primeaux, Philip A.; Zhang, Bin; Zhang, Xiaoman; Miller, Jacob; Meng, W. J.; KC, Pratik; Moore, Arden L.

    2017-02-01

    Microscale fin array structures were replicated onto surfaces of aluminum 1100 and aluminum 6061 alloy (Al1100/Al6061) sheet metals through room-temperature instrumented roll molding. Aluminum-based micro fin arrays were replicated at room temperature, and the fabrication process is one with high throughput and low cost. One-dimensional (1D) micro fin arrays were made through one-pass rolling, while two-dimensional (2D) micro fin arrays were made by sequential 90° cross rolling with the same roller sleeve. For roll molding of 1D micro fins, fin heights greater than 600 µm were achieved and were shown to be proportional to the normal load force per feature width. At a given normal load force, the fin height was further shown to scale inversely with the hardness of the sheet metal. For sequential 90° cross rolling, morphologies of roll molded 2D micro fin arrays were examined, which provided clues to understand how plastic deformation occurred under cross rolling conditions. A series of pool boiling experiments on low profile Al micro fin array structures were performed within Novec 7100, a widely used commercial dielectric coolant. Results for both horizontal and vertical surface orientations show that roll molded Al micro fin arrays can increase heat flux at fixed surface temperature as compared to un-patterned Al sheet. The present results further suggest that many factors beyond just increased surface area can influence heat transfer performance, including surface finish and the important multiphase transport mechanisms in and around the fin geometry. These factors must also be considered when designing and optimizing micro fin array structures for heat transfer applications.

  3. Negative refraction and imaging of acoustic waves in a two-dimensional square chiral lattice structure

    Science.gov (United States)

    Zhao, Sheng-Dong; Wang, Yue-Sheng

    2016-05-01

    The negative refraction behavior and imaging effect for acoustic waves in a kind of two-dimensional square chiral lattice structure are studied in this paper. The unit cell of the proposed structure consists of four zigzag arms connected through a thin circular ring at the central part. The relation of the symmetry of the unit cell and the negative refraction phenomenon is investigated. Using the finite element method, we calculate the band structures and the equi-frequency surfaces of the system, and confirm the frequency range where the negative refraction is present. Due to the rotational symmetry of the unit cell, a phase difference is induced to the waves propagating from a point source through the structure to the other side. The phase difference is related to the width of the structure and the frequency of the source, so we can get a tunable deviated imaging. This kind of phenomenon is also demonstrated by the numerical simulation of two Gaussian beams that are symmetrical about the interface normal with the same incident angle, and the different negative refractive indexes are presented. Based on this special performance, a double-functional mirror-symmetrical slab is proposed for realizing acoustic focusing and beam separation.

  4. Analysis of branched DNA replication and recombination intermediates from prokaryotic cells by two-dimensional (2D) native-native agarose gel electrophoresis.

    Science.gov (United States)

    Robinson, Nicholas P

    2013-01-01

    Branched DNA molecules are generated by the essential processes of replication and recombination. Owing to their distinctive extended shapes, these intermediates migrate differently from linear double-stranded DNA under certain electrophoretic conditions. However, these branched species exist in the cell at much low abundance than the bulk linear DNA. Consequently, branched molecules cannot be visualized by conventional electrophoresis and ethidium bromide staining. Two-dimensional native-native agarose electrophoresis has therefore been developed as a method to facilitate the separation and visualization of branched replication and recombination intermediates. A wide variety of studies have employed this technique to examine branched molecules in eukaryotic, archaeal, and bacterial cells, providing valuable insights into how DNA is duplicated and repaired in all three domains of life.

  5. Structural semiconductor-to-semimetal phase transition in two-dimensional materials induced by electrostatic gating.

    Science.gov (United States)

    Li, Yao; Duerloo, Karel-Alexander N; Wauson, Kerry; Reed, Evan J

    2016-01-01

    Dynamic control of conductivity and optical properties via atomic structure changes is of technological importance in information storage. Energy consumption considerations provide a driving force towards employing thin materials in devices. Monolayer transition metal dichalcogenides are nearly atomically thin materials that can exist in multiple crystal structures, each with distinct electrical properties. By developing new density functional-based methods, we discover that electrostatic gating device configurations have the potential to drive structural semiconductor-to-semimetal phase transitions in some monolayer transition metal dichalcogenides. Here we show that the semiconductor-to-semimetal phase transition in monolayer MoTe2 can be driven by a gate voltage of several volts with appropriate choice of dielectric. We find that the transition gate voltage can be reduced arbitrarily by alloying, for example, for Mo(x)W(1-x)Te2 monolayers. Our findings identify a new physical mechanism, not existing in bulk materials, to dynamically control structural phase transitions in two-dimensional materials, enabling potential applications in phase-change electronic devices.

  6. A novel approach for structure analysis of two-dimensional membrane protein crystals using x-ray powder diffraction data

    CERN Document Server

    Dilanian, Ruben A; Varghese, Jose N; Wilkins, Steve W; Oka, Toshihiko; Yagi, Naoto; Quiney, Harry M; Nugent, Keith A

    2010-01-01

    The application of powder diffraction methods in two-dimensional crystallography is regarded as intractable because of the uncertainties associated with overlapping reflections. Here, we report an approach that resolves these ambiguities and provides reliable low-resolution phase information directly from powder diffraction data. We apply our method to the recovery of the structure of the bacteriorhodopsin (bR) molecule to a resolution of 7 angstroms using only powder diffraction data obtained from two-dimensional purple membrane (PM) crystals.

  7. The band gap variation of a two dimensional binary locally resonant structure in thermal environment

    Science.gov (United States)

    Li, Zhen; Wang, Xian; Li, Yue-ming

    2017-01-01

    In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap). A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

  8. Valence and conduction band structure of the quasi-two-dimensional semiconductor Sn S2

    Science.gov (United States)

    Racke, David A.; Neupane, Mahesh R.; Monti, Oliver L. A.

    2016-02-01

    We present the momentum-resolved photoemission spectroscopy of both the valence and the conduction band region in the quasi-two-dimensional van der Waals-layered indirect band gap semiconductor Sn S2 . Using a combination of angle-resolved ultraviolet photoemission and angle-resolved two-photon photoemission (AR-2PPE) spectroscopy, we characterize the band structure of bulk Sn S2 . Comparison with density functional theory calculations shows excellent quantitative agreement in the valence band region and reveals several localized bands that likely originate from defects such as sulfur vacancies. Evidence for a moderate density of defects is also observed by AR-2PPE in the conduction band region, leading to localized bands not present in the computational results. The energetic structure and dispersion of the conduction bands is captured well by the computational treatment, with some quantitative discrepancies remaining. Our results provide a broader understanding of the electronic structure of Sn S2 in particular and van der Waals-layered semiconductors in general.

  9. The band gap variation of a two dimensional binary locally resonant structure in thermal environment

    Directory of Open Access Journals (Sweden)

    Zhen Li

    2017-01-01

    Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

  10. A two-dimensional mutate-and-map strategy for non-coding RNA structure

    Science.gov (United States)

    Kladwang, Wipapat; Vanlang, Christopher C.; Cordero, Pablo; Das, Rhiju

    2011-12-01

    Non-coding RNAs fold into precise base-pairing patterns to carry out critical roles in genetic regulation and protein synthesis, but determining RNA structure remains difficult. Here, we show that coupling systematic mutagenesis with high-throughput chemical mapping enables accurate base-pair inference of domains from ribosomal RNA, ribozymes and riboswitches. For a six-RNA benchmark that has challenged previous chemical/computational methods, this ‘mutate-and-map’ strategy gives secondary structures that are in agreement with crystallography (helix error rates, 2%), including a blind test on a double-glycine riboswitch. Through modelling of partially ordered states, the method enables the first test of an interdomain helix-swap hypothesis for ligand-binding cooperativity in a glycine riboswitch. Finally, the data report on tertiary contacts within non-coding RNAs, and coupling to the Rosetta/FARFAR algorithm gives nucleotide-resolution three-dimensional models (helix root-mean-squared deviation, 5.7 Å) of an adenine riboswitch. These results establish a promising two-dimensional chemical strategy for inferring the secondary and tertiary structures that underlie non-coding RNA behaviour.

  11. The topology of large-scale structure. V - Two-dimensional topology of sky maps

    Science.gov (United States)

    Gott, J. R., III; Mao, Shude; Park, Changbom; Lahav, Ofer

    1992-01-01

    A 2D algorithm is applied to observed sky maps and numerical simulations. It is found that when topology is studied on smoothing scales larger than the correlation length, the topology is approximately in agreement with the random phase formula for the 2D genus-threshold density relation, G2(nu) varies as nu(e) exp-nu-squared/2. Some samples show small 'meatball shifts' similar to those seen in corresponding 3D observational samples and similar to those produced by biasing in cold dark matter simulations. The observational results are thus consistent with the standard model in which the structure in the universe today has grown from small fluctuations caused by random quantum noise in the early universe.

  12. Application of highly sensitive fluorescent dyes (CyDye DIGE Fluor saturation dyes) to laser microdissection and two-dimensional difference gel electrophoresis (2D-DIGE) for cancer proteomics.

    Science.gov (United States)

    Kondo, Tadashi; Hirohashi, Setsuo

    2006-01-01

    Proteome data combined with histopathological information provides important, novel clues for understanding cancer biology and reveals candidates for tumor markers and therapeutic targets. We have established an application of a highly sensitive fluorescent dye (CyDye DIGE Fluor saturation dye), developed for two-dimensional difference gel electrophoresis (2D-DIGE), to the labeling of proteins extracted from laser microdissected tissues. The use of the dye dramatically decreases the protein amount and, in turn, the number of cells required for 2D-DIGE; the cells obtained from a 1 mm2 area of an 8-12 microm thick tissue section generate up to 5,000 protein spots in a large-format 2D gel. This protocol allows the execution of large-scale proteomics in a more efficient, accurate and reproducible way. The protocol can be used to examine a single sample in 5 d or to examine hundreds of samples in large-scale proteomics.

  13. Structure of two-dimensional and three-dimensional turbulent boundary layers with sparsely distributed roughness elements

    Science.gov (United States)

    George, Jacob

    The present study deals with the effects of sparsely distributed three-dimensional elements on two-dimensional (2-D) and three-dimensional (3-D) turbulent boundary layers (TBL) such as those that occur on submarines, ship hulls, etc. This study was achieved in three parts: Part 1 dealt with the cylinders when placed individually in the turbulent boundary layers, thereby considering the effect of a single perturbation on the TBL; Part 2 considered the effects when the same individual elements were placed in a sparse and regular distribution, thus studying the response of the flow to a sequence of perturbations; and in Part 3, the distributions were subjected to 3-D turbulent boundary layers, thus examining the effects of streamwise and spanwise pressure gradients on the same perturbed flows as considered in Part 2. The 3-D turbulent boundary layers were generated by an idealized wing-body junction flow. Detailed 3-velocity-component Laser-Doppler Velocimetry (LDV) and other measurements were carried out to understand and describe the rough-wall flow structure. The measurements include mean velocities, turbulence quantities (Reynolds stresses and triple products), skin friction, surface pressure and oil flow visualizations in 2-D and 3-D rough-wall flows for Reynolds numbers, based on momentum thickness, greater than 7000. Very uniform circular cylindrical roughness elements of 0.38mm, 0.76mm and 1.52mm height (k) were used in square and diagonal patterns, yielding six different roughness geometries of rough-wall surface. For the 2-D rough-wall flows, the roughness Reynolds numbers, k +, based on the element height (k) and the friction velocity (Utau), range from 26 to 131. Results for the 2-D rough-wall flows reveal that the velocity-defect law is similar for both smooth and rough surfaces, and the semi-logarithmic velocity-distribution curve is shifted by an amount DeltaU/U, depending on the height of the roughness element, showing that Delta U/Utau is a function

  14. Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

    Science.gov (United States)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

    2015-01-01

    In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

  15. JAC2D: A two-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Biffle, J.H.; Blanford, M.L.

    1994-05-01

    JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  16. Development and optimization of scanning spreading resistance microscopy for measuring the two-dimensional carrier profile in solar cell structures

    Energy Technology Data Exchange (ETDEWEB)

    Eyben, Pierre; Hantschel, Thomas; Lorenz, Anne; Gestel, Dries van; John, Joachim [IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Seidel, Felix [IMEC, Kapeldreef 75, 3001 Leuven (Belgium); TU Bergakademie Freiberg, Institut fuer Elektronik- und Sensormaterialien, Gustav-Zeuner-Str. 3, 09599 Freiberg (Germany); Schulze, Andreas; Vandervorst, Wilfried [IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Instituut voor Kern- en Stralingsfysika, K.U. Leuven, Celestijnenlaan 200D, 3001 Leuven (Belgium); Castro, Angel Uruena de [IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Department of Electrical Engineering (ESAT), Katholieke Universiteit Leuven, Oude Markt, 13, Bus 5005, 3000 Leuven (Belgium); Horzel, Joerg [SCHOTT Solar AG, Carl-Zeiss-Strasse 4, 63755 Alzenau (Germany)

    2011-03-15

    Within this work, we have explored the use of scanning spreading resistance microscopy (SSRM) on advanced solar cell structures. Three main topics, corresponding to three important needs, were targeted. First, we have analyzed the highly doped regions at the frontside of solar cells. The influence of the surface roughness, hindering the use of other techniques (e.g., secondary ion mass spectrometry, SIMS), and the phosphorus diffusion along grains for multicrystalline silicon (mc-Si) have been studied quantitatively as they may affect substantially the electrical properties of solar cells. Secondly, we have explored local backside contacts manufactured using new techniques like laser ablation followed by dopant diffusion. Having a better knowledge of the two-dimensional (2D)-dopant distribution is a subject of growing interest. Finally, we have studied electrical properties of grain-boundary and intragrain defects in polycrystalline silicon (pc-Si) layers as they may play a major role in the electrical performances of the solar cells. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Electrostatic Structures in Space Plasmas: Stability of Two-dimensional Magnetic Bernstein-Greene-Kruskal Modes

    CERN Document Server

    Ng, C S; Yasin, E

    2011-01-01

    Electrostatic structures have been observed in many regions of space plasmas, including the solar wind, the magnetosphere, the auroral acceleration region, and in association with shocks, turbulence, and magnetic reconnection. Due to potentially large amplitude of electric fields within these structures, their effects on particle heating, scattering, or acceleration can be important. One possible theoretical description of some of these structures is the concept of Bernstein-Greene-Kruskal (BGK) modes, which are exact nonlinear solutions of the Vlasov-Poisson system of equations in collisionless kinetic theory. BGK modes have been studied extensively for many decades, predominately in one dimension (1D), although there have been observations showing that some of these structures have clear 3D features. While there have been approximate solutions of higher dimensional BGK modes, an exact 3D BGK mode solution in a finite magnetic field has not been found yet. Recently we have constructed exact solutions of 2D B...

  18. Reconstruction of two-dimensional magnetopause structures from Cluster observations: verification of method

    Directory of Open Access Journals (Sweden)

    H. Hasegawa

    2004-04-01

    Full Text Available A recently developed technique for reconstructing approximately two-dimensional (∂/∂z≈0, time-stationary magnetic field structures in space is applied to two magnetopause traversals on the dawnside flank by the four Cluster spacecraft, when the spacecraft separation was about 2000km. The method consists of solving the Grad-Shafranov equation for magnetohydrostatic structures, using plasma and magnetic field data measured along a single spacecraft trajectory as spatial initial values. We assess the usefulness of this single-spacecraft-based technique by comparing the magnetic field maps produced from one spacecraft with the field vectors that other spacecraft actually observed. For an optimally selected invariant (z-axis, the correlation between the field components predicted from the reconstructed map and the corresponding measured components reaches more than 0.97. This result indicates that the reconstruction technique predicts conditions at the other spacecraft locations quite well.

    The optimal invariant axis is relatively close to the intermediate variance direction, computed from minimum variance analysis of the measured magnetic field, and is generally well determined with respect to rotations about the maximum variance direction but less well with respect to rotations about the minimum variance direction. In one of the events, field maps recovered individually for two of the spacecraft, which crossed the magnetopause with an interval of a few tens of seconds, show substantial differences in configuration. By comparing these field maps, time evolution of the magnetopause structures, such as the formation of magnetic islands, motion of the structures, and thickening of the magnetopause current layer, is discussed.

    Key words. Magnetospheric physics (Magnetopause, cusp, and boundary layers – Space plasma physics (Experimental and mathematical techniques, Magnetic reconnection

  19. Solution of the two-dimensional compressible Navier-Stokes equations on embedded structured multiblock meshes

    Science.gov (United States)

    Szmelter, J.; Marchant, M. J.; Evans, A.; Weatherill, N. P.

    A cell vertex finite volume Jameson scheme is used to solve the 2D compressible, laminar, viscous fluid flow equations on locally embedded multiblock meshes. The proposed algorithm is applicable to both the Euler and Navier-Stokes equations. It is concluded that the adaptivity method is very successful in efficiently improving the accuracy of the solution. Both the mesh generator and the flow equation solver which are based on a quadtree data structure offer good flexibility in the treatment of interfaces. It is concluded that methods under consideration lead to accurate flow solutions.

  20. Hydrogen Bonding and Multiphonon Structure in One- and Two-Dimensional Polymeric Magnets

    Science.gov (United States)

    Musfeldt, J. L.; Brown, S.; Cao, J.; Conner, M. M.; McConnell, A. C.; Southerland, H. I.; Manson, J. L.; Schlueter, J. A.; Phillips, M. D.; Turnbull, M. M.; Landee, C. P.

    2007-03-01

    We report a systematic investigation of the temperature dependent infrared vibrational spectra of a family of chemically related coordination polymeric magnets based upon two different bridging anions, fluoride (F^-) and bifluoride (HF2^-), in copper-pyrazine complexes including Cu(HF2)(pyz)2BF4, Cu(HF2)(pyz)2ClO4, and CuF2(H2O)(pyz)). We compare our results with several one- and two-dimensional prototype materials including Cu(NO3)2(pyz) and Cu(ClO4)(pyz) 2. Unusual low temperature hydrogen bonding, local structural transitions associated with stronger low-temperature hydrogen bonding, and striking multiphonon effects that derive from coupling of an infrared-active fundamental with strong Raman-active modes of the pyrazine building-block molecule are observed. Based on the spectroscopic evidence, these interactions are common to this family of coordination polymers and work to stabilize the low temperature magnetic state. Similar interactions are likely to be present in other molecule-based magnets.

  1. Spatially structured oscillations in a two-dimensional excitatory neuronal network with synaptic depression

    KAUST Repository

    Kilpatrick, Zachary P.

    2009-10-29

    We study the spatiotemporal dynamics of a two-dimensional excitatory neuronal network with synaptic depression. Coupling between populations of neurons is taken to be nonlocal, while depression is taken to be local and presynaptic. We show that the network supports a wide range of spatially structured oscillations, which are suggestive of phenomena seen in cortical slice experiments and in vivo. The particular form of the oscillations depends on initial conditions and the level of background noise. Given an initial, spatially localized stimulus, activity evolves to a spatially localized oscillating core that periodically emits target waves. Low levels of noise can spontaneously generate several pockets of oscillatory activity that interact via their target patterns. Periodic activity in space can also organize into spiral waves, provided that there is some source of rotational symmetry breaking due to external stimuli or noise. In the high gain limit, no oscillatory behavior exists, but a transient stimulus can lead to a single, outward propagating target wave. © Springer Science + Business Media, LLC 2009.

  2. Hamiltonian structure for two-dimensional extended Green-Naghdi equations

    Science.gov (United States)

    Matsuno, Yoshimasa

    2016-06-01

    The two-dimensional Green-Naghdi (GN) shallow-water model for surface gravity waves is extended to incorporate the arbitrary higher-order dispersive effects. This can be achieved by developing a novel asymptotic analysis applied to the basic nonlinear water wave problem. The linear dispersion relation for the extended GN system is then explored in detail. In particular, we use its characteristics to discuss the well-posedness of the linearized problem. As illustrative examples of approximate model equations, we derive a higher-order model that is accurate to the fourth power of the dispersion parameter in the case of a flat bottom topography, and address the related issues such as the linear dispersion relation, conservation laws and the pressure distribution at the fluid bottom on the basis of this model. The original Green-Naghdi (GN) model is then briefly described in the case of an uneven bottom topography. Subsequently, the extended GN system presented here is shown to have the same Hamiltonian structure as that of the original GN system. Last, we demonstrate that Zakharov's Hamiltonian formulation of surface gravity waves is equivalent to that of the extended GN system by rewriting the former system in terms of the momentum density instead of the velocity potential at the free surface.

  3. Coherent Structures in Turbulent Flow over Two-Dimensional River Dunes

    CERN Document Server

    Omidyeganeh, Mohammad

    2011-01-01

    We performed large-eddy simulations of the flow over a typical two-dimensional dune geometry at laboratory scale (the Reynolds number based on the average channel height and mean velocity is 18,900) using the Lagrangian dynamic eddy-viscosity subgrid-scale model. The flow separates at the dune crest and reattaches downstream on the bed (at x=5.7h). A favorable pressure gradient accelerates the flow over the stoss-side (the upward-sloping region for x > 8h) and an unfavorable gradient for x < 8h decelerates the flow over the lee-side of the dune. Due to the separation of the flow, a shear layer is generated after the crest that expands in the wake region towards the next dune. The outer-layer turbulence structures are visualized through isosurfaces of pressure fluctuations colored by distance to the surface. Spanwise vortices are generated in the shear layer separating from the crest due to the Kelvin-Helmholtz instability. They are convected downstream and either interact with the wall or rise to the surfa...

  4. A Method to Formulate the Unit Cell for Density Functional Theory (DFT) Calculations of the Electronic Band Structure of Heterostructures of Two-dimensional Nanosheets

    Science.gov (United States)

    2015-04-01

    distribution is unlimited. i CONTENTS Page Introduction 1 Two-dimensional Material Geometry and Analogs with Close-packed Systems 1 Matching...distribution is unlimited. 1 INTRODUCTION Two-dimensional (2D) material heterostructures offer novel and compelling electronic and optical...methods have undoubtedly been created for matching lattice constants of dissimilar nanomaterials , very few are actually covered explicitly in literature

  5. Detailed study of the TE band structure of two dimensional metallic photonic crystals with square symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Sedghi, Aliasghar [Islamic Azad University, Shabestar (Iran, Islamic Republic of); Valiaghaie, Soma [Islamic Azad University, Sanandaj (Iran, Islamic Republic of); Soufiani, Ahad Rounaghi [Islamic Azad University, Sufian (Iran, Islamic Republic of)

    2014-10-15

    By virtue of the efficiency of the Dirichlet-to-Neumann map method, we have calculated, for H-polarization (TE mode), the band structure of 2D photonic crystals with a square lattice composed of metallic rods embedded in an air background. The rod in the unit cell is chosen to be circular in shape. Here, from a practical point of view, in order to obtain maximum band gaps, we have studied the band structure as a function of the size of the rods. We have also studied the flat bands appearing in the band structures and have shown that for frequencies around the surface plasmon frequency, the modes are highly localized at the interface between the metallic rods and the air background.

  6. Detailed Study of the TE band structure of two dimensional metallic photonic crystals with square symmetry

    Science.gov (United States)

    Sedghi, Aliasghar; Valiaghaie, Soma; Soufiani, Ahad Rounaghi

    2014-10-01

    By virtue of the efficiency of the Dirichlet-to-Neumann map method, we have calculated, for H-polarization (TE mode), the band structure of 2D photonic crystals with a square lattice composed of metallic rods embedded in an air background. The rod in the unit cell is chosen to be circular in shape. Here, from a practical point of view, in order to obtain maximum band gaps, we have studied the band structure as a function of the size of the rods. We have also studied the flat bands appearing in the band structures and have shown that for frequencies around the surface plasmon frequency, the modes are highly localized at the interface between the metallic rods and the air background.

  7. Unusual onset of p-element magnetization in a two dimensional structure

    Science.gov (United States)

    Matar, Samir F.

    2016-10-01

    Based on density functional theory electronic and magnetic structure characterizations an unusual onset of spin polarization of p states is demonstrated leading to a stable ferromagnetic order within a carbon layered honeycomb-like compound. Specifically structural relaxation of formerly studied C2N in 3D network and devised here in 2D layered AlB2-type derived structure shows that the resulting ordered compound maintains the hexagonal crystal symmetry with an exceptionally large c/a ratio leading to strong localization of N states along c and letting magnetization develop within N-pz orbitals with 1.1 μB per formula unit. Anisotropic antibonding interactions between C and N layers allow interpreting the results. The compound is energetically characterized in ferromagnetic ground state versus less stable anti-ferromagnetic order.

  8. Two-dimensional NMR spectroscopy links structural moieties of soil organic matter to the temperature sensitivity of its decomposition

    Science.gov (United States)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen

    2015-04-01

    Soil organic matter (SOM) represents a huge carbon pool, specifically in boreal ecosystems. Warming-induced release of large amounts of CO2 from the soil carbon pool might become a significant exacerbating feedback to global warming, if decomposition rates of boreal soils were more sensitive to increased temperatures. Despite a large number of studies dedicated to the topic, it has proven difficult to elucidate how the organo-chemical composition of SOM influences its decomposition, or its quality as a substrate for microbial metabolism. A great part of this challenge results from our inability to achieve a detailed characterization of the complex composition of SOM on the level of molecular structural moieties. 13C nuclear magnetic resonance (NMR) spectroscopy is a common tool to characterize SOM. However, SOM is a very complex mixture and the chemical shift regions distinguished in the 13C NMR spectra often represent many different molecular fragments. For example, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. We applied two-dimensional (2D) NMR to characterize SOM with highly increased resolution. We directly dissolved finely ground litters and forest floors'fibric and humic horizons'of both coniferous and deciduous boreal forests in dimethyl sulfoxide and analyzed the resulting solution with a 2D 1H-13C NMR experiment. In the 2D planes of these spectra, signals of CH groups can be resolved based on their 13C and 1H chemical shifts, hence the resolving power and information content of these NMR spectra is hugely increased. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra, so that hundreds of distinct CH groups could be observed and many molecular fragments could be identified. For instance, in the aromatics region, signals from individual lignin units could

  9. Structural soil crust development from raindrop impacts using two-dimensional discrete element method

    Science.gov (United States)

    Yeom, Seungcheol; Sjoblom, Kurt

    2016-12-01

    The mechanical nature of crust formation as a result of raindrop impacts was simulated within a discrete element modeling environment. Simulations were conducted in two-dimensions (2D) using both linear and non-linear elastic contact models. The 2D approach was found to minimize the computational effort required and maximize the number of particles in the soil profile. For the non-linear model, the effect of the coefficient of restitution (COR) for soil-rain and soil-soil was investigated. Finally, the comparison between the linear and nonlinear elastic contact model was presented. The simulation indicated that the COR for rain-soil had negligible effect on the crust development but the computational time was exponentially increased with increasing coefficient value. In contrast, the COR for soil-soil had a dominant influence on the crust development. To validate the numerical results, a micro computerized tomography (microCT) technique was applied to characterize the changes in pore structure to a USCS SP soil after exposure under a rainfall simulator. Additionally, the effect of cyclic wetting and drying (without rainfall) on the changes in porosity was investigated. The experimental results showed that the rainfall simulator sufficiently densified the soil but the effect of cyclic wetting and drying was negligible. The numerical simulations showed similar changes in porosity along the depth of the soil profile as compared with the experimental results thus validating the DEM technique to simulate crust development.

  10. Free energy and structure of dislocation cores in two-dimensional crystals

    NARCIS (Netherlands)

    Bladon, P.B.; Frenkel, D.

    2004-01-01

    The nature of the melting transition in two dimensions is critically dependent on the core energy of dislocations. In this paper, we report calculations of the core free energy and the core size of dislocations in two-dimensional solids of systems interacting via square well, hard disk, and r-12

  11. Structure of a model salt bridge in solution investigated with 2D-IR spectroscopy

    CERN Document Server

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Woutersen, Sander

    2013-01-01

    Salt bridges are known to be important for the stability of protein conformation, but up to now it has been difficult to study their geometry in solution. Here we characterize the spatial structure of a model salt bridge between guanidinium (Gdm+) and acetate (Ac-) using two-dimensional vibrational (2D-IR) spectroscopy. We find that as a result of salt bridging the infrared response of Gdm+ and Ac- change significantly, and in the 2D-IR spectrum, salt bridging of the molecules appears as cross peaks. From the 2D-IR spectrum we determine the relative orientation of the transition-dipole moments of the vibrational modes involved in the salt bridge, as well as the coupling between them. In this manner we reconstruct the geometry of the solvated salt bridge.

  12. Coupling between Fano and Bragg bands in photonic band structure of two-dimensional metallic photonic structures

    CERN Document Server

    Markos, Peter

    2016-01-01

    Frequency and transmission spectrum of two-dimensional array of metallic rods is investigated numerically. Based on the recent analysis of the band structure of two-dimensional photonic crystal with dielectric rods [P. Marko\\v{s}, Phys. Rev. A 92 043814 (2015)] we identify two types of bands in the frequency spectrum: Bragg (P) bands resulting from a periodicity and Fano (F) bands which arise from Fano resonances associated with each of the cylinders within the periodic structure. It is shown that the existence of Fano band in a certain frequency range is manifested by a Fano resonance in the transmittance. In particular, we re-examine the symmetry properties of the H- polarized band structure in the frequency range where the spectrum consists of the localized modes associated with the single scatterer resonances and we explore process of formation of Fano bands by identifying individual terms in the expansion of the LCAO states. We demonstrate how the interplay between the two scattering mechanisms affects p...

  13. Two-dimensional inorganic–organic hybrid semiconductors composed of double-layered ZnS and monoamines with aromatic and heterocyclic aliphatic rings: Syntheses, structures, and properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Sujing; Li, Jing, E-mail: jingli@rutgers.edu

    2015-04-15

    As an addition to the II–VI based inorganic–organic hybrid semiconductor family, five new two-dimensional (2D) double-layered structures have been synthesized employing monoamines with different aromatic or heterocyclic aliphatic rings. Zn{sub 2}S{sub 2}(bza) (1), Zn{sub 2}S{sub 2}(mbza) (2), Zn{sub 2}S{sub 2}(fbza) (3), Zn{sub 2}S{sub 2}(pca) (4), and Zn{sub 2}S{sub 2}(thfa) (5) (bza=benzylamine, mbza=4-methoxybenzylamine, fbza=4-flurobenzylamine, pca=3-picolylamine, and thfa=tetrahydrofurfurylamine) are prepared by solvothermal reactions and characterized by different analytical methods, including powder X-ray diffraction, optical diffuse reflection, thermogravimetric analysis and photoluminescence spectroscopy. The powder X-ray diffraction patterns show that all five compounds adopt 2D double-layered structures. Optical diffuse reflectance spectra of these compounds suggest that they have notably lower band gaps than those of the similar compounds composed of aliphatic alkyl amines. Their photoluminescence properties and thermal stability are also analyzed. - Graphical abstract: Five new members of two-dimensional double-layered 2D-Zn{sub 2}S{sub 2}(L) (L=Ligand) structures employing monoamines with different aromatic or heterocyclic aliphatic rings have been designed, synthesized, and characterized. - Highlights: • A new sub-family of II-VI based hybrid semiconductors are designed, synthesized, and structurally characterized using amines with aromatic or aliphatic cyclic rings. • These compounds have notably lower band gaps than those made of aliphatic alkyl amines, greatly broadening the range of band gaps of this material family. • They emit strongly with systematically tunable emission intensity and energy.

  14. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics.

    Science.gov (United States)

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-31

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics.

  15. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang

    2016-01-01

    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of assem

  16. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang

    2016-01-01

    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of

  17. Analysis of bandgap characteristics of two-dimensional periodic structures by using the source-model technique.

    Science.gov (United States)

    Ludwig, Alon; Leviatan, Yehuda

    2003-08-01

    We introduce a solution based on the source-model technique for periodic structures for the problem of electromagnetic scattering by a two-dimensional photonic bandgap crystal slab illuminated by a transverse-magnetic plane wave. The proposed technique takes advantage of the periodicity of the slab by solving the problem within the unit cell of the periodic structure. The results imply the existence of a frequency bandgap and provide a valuable insight into the relationship between the dimensions of a finite periodic structure and its frequency bandgap characteristics. A comparison shows a discrepancy between the frequency bandgap obtained for a very thick slab and the bandgap obtained by solving the corresponding two-dimensionally infinite periodic structure. The final part of the paper is devoted to explaining in detail this apparent discrepancy.

  18. Identification of the dynamics of a two-dimensional grid structure using least square lattice filters. [for large space structures

    Science.gov (United States)

    Montgomery, R. C.; Sundararajan, N.

    1984-01-01

    It is doubtful whether the dynamics of large space structures (LSS) can be predicted well enough for control system design applications. Hence, dynamic modeling from on-orbit measurements followed by a modification of the control system is of interest, taking into account the utilization of adaptive control concepts. The present paper is concerned with the model determination phase of the adaptive control problem. Using spectral decoupling to determine mode shapes, mode frequency and damping data can be obtained with the aid of an equation error parameter identification method. This method employs a second-order auto-regressive moving average (ARMA) model to represent the natural mode amplitudes. The discussed procedure involves an extension of the application of the least square lattice filter in system identification to a nonintegral, two-dimensional grid structure made of overlapping bars.

  19. On the algebraic structure of rotationally invariant two-dimensional Hamiltonians on the noncommutative phase space

    Science.gov (United States)

    Falomir, H.; Pisani, P. A. G.; Vega, F.; Cárcamo, D.; Méndez, F.; Loewe, M.

    2016-02-01

    We study two-dimensional Hamiltonians in phase space with noncommutativity both in coordinates and momenta. We consider the generator of rotations on the noncommutative plane and the Lie algebra generated by Hermitian rotationally invariant quadratic forms of noncommutative dynamical variables. We show that two quantum phases are possible, characterized by the Lie algebras {sl}(2,{{R}}) or su(2) according to the relation between the noncommutativity parameters, with the rotation generator related with the Casimir operator. From this algebraic perspective, we analyze the spectrum of some simple models with nonrelativistic rotationally invariant Hamiltonians in this noncommutative phase space, such as the isotropic harmonic oscillator, the Landau problem and the cylindrical well potential.

  20. On the algebraic structure of rotationally invariant two-dimensional Hamiltonians on the noncommutative phase space

    CERN Document Server

    Falomir, H; Vega, F; Cárcamo, D; Méndez, F; Loewe, M

    2015-01-01

    We study two-dimensional Hamiltonians in phase space with noncommutativity both in coordinates and momenta. We consider the generator of rotations on the noncommutative plane and the Lie algebra generated by Hermitian rotationally invariant quadratic forms of noncommutative dynamical variables. We show that two quantum phases are possible, characterized by the Lie algebras $sl(2,\\mathbb{R})$ or $su(2)$ according to the relation between the noncommutativity parameters. From this perspective, we analyze the spectrum of some simple models with nonrelativistic rotationally invariant Hamiltonians in this noncommutative phase space, as the isotropic harmonic oscillator, the Landau problem and the cylindrical well potential.

  1. Synchronization of radiation in an oversized coaxial Ka-band backward wave oscillator using two-dimensional Bragg structure

    Directory of Open Access Journals (Sweden)

    N. S. Ginzburg

    2015-12-01

    Full Text Available A coaxial Ka-band backward wave oscillator with a two-dimensional Bragg structure located at the output of the interaction space has been studied. This structure has a double-period corrugation and provides azimuthal electromagnetic energy fluxes, which act on the synchronized radiation of an oversized tubular electron beam. Proof-of-principle experiments were conducted based on the Saturn thermionic accelerator (300  keV/200  A/2  μs. In accordance with simulations, narrow-band generation was obtained at a frequency of 30 GHz and a power level of 1.5–2 MW. As a result, the possibility of using a two-dimensional distributed feedback mechanism in oscillators of the Cherenkov type has been demonstrated.

  2. Optical generation of a spatially variant two-dimensional lattice structure by using a phase only spatial light modulator

    CERN Document Server

    Kumar, Manish

    2016-01-01

    We propose a simple and straightforward method to generate a spatially variant lattice structures by optical interference lithography method. Using this method, it is possible to independently vary the orientation and period of the two-dimensional lattice. The method consists of two steps which are: numerical synthesis of corresponding phase mask by employing a two-dimensional integrated gradient calculations and experimental implementation of synthesized phase mask by making use of a phase only spatial light modulator in an optical 4f Fourier filtering setup. As a working example, we provide the experimental fabrication of a spatially variant square lattice structure which has the possibility to guide a Gaussian beam through a 90{\\deg} bend by photonic crystal self-collimation phenomena. The method is digitally reconfigurable, is completely scalable and could be extended to other kind of lattices as well.

  3. Optical generation of a spatially variant two-dimensional lattice structure by using a phase only spatial light modulator

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Manish, E-mail: manishk@physics.iitd.ac.in; Joseph, Joby, E-mail: joby@physics.iitd.ac.in [Photonics Research Laboratory, Department of Physics, Indian Institute of Technology Delhi, New Delhi 110016 (India)

    2014-08-04

    We propose a simple and straightforward method to generate spatially variant lattice structures by optical interference lithography method. Using this method, it is possible to independently vary the orientation and period of the two-dimensional lattice. The method consists of two steps which are: numerical synthesis of corresponding phase mask by employing a two-dimensional integrated gradient calculations and experimental implementation of synthesized phase mask by making use of a phase only spatial light modulator in an optical 4f Fourier filtering setup. As a working example, we provide the experimental fabrication of a spatially variant square lattice structure which has the possibility to guide a Gaussian beam through a 90° bend by photonic crystal self-collimation phenomena. The method is digitally reconfigurable, is completely scalable, and could be extended to other kind of lattices as well.

  4. Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

    Directory of Open Access Journals (Sweden)

    Hai-Feng Zhang

    2016-08-01

    Full Text Available In this paper, the properties of photonic band gaps (PBGs in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs under a transverse-magnetic (TM wave are theoretically investigated by a modified plane wave expansion (PWE method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

  5. Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

    Science.gov (United States)

    Zhang, Hai-Feng; Liu, Shao-Bin

    2016-08-01

    In this paper, the properties of photonic band gaps (PBGs) in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs) under a transverse-magnetic (TM) wave are theoretically investigated by a modified plane wave expansion (PWE) method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

  6. Selective cleavage of periodic mesoscale structures: two-dimensional replication of binary colloidal crystals into dimpled gold nanoplates.

    Science.gov (United States)

    Kuroda, Yoshiyuki; Sakamoto, Yasuhiro; Kuroda, Kazuyuki

    2012-05-23

    Specific crystallographic planes of binary colloidal crystals consisting of silica nanoparticles are two-dimensionally replicated on the surface of gold nanoplates. The selectivity of the surface patterns is explained by the geometrical characteristics of the binary colloidal crystals as templates. The binary colloidal crystals with the AlB(2)- and NaZn(13)-type structures are fabricated from aqueous dispersions of stoichiometrically mixed silica nanoparticles with different sizes. The stoichiometry is precisely controlled on the basis of a seed growth of silica nanoparticles. Dimpled gold nanoplates are formed by the two-dimensional growth of gold between partially cleaved surfaces of templates. The selectivity of the surface patterns is explained using the AlB(2)-type binary colloidal crystal as a template. The surface pattern is determined by the preferential cleavage of the plane with the lowest density of particle-particle connections. The tendency to form well-defined cleavage in binary colloidal crystals is crucial to formation of dimpled gold nanoplates, which is explained using the NaZn(13)-type binary colloidal crystal as a template. Its complex structure does not show well-defined cleavage, and only distorted nanoplates are obtained. Therefore, the mechanism of the two-dimensional replication of binary colloidal crystals is reasonably explained on the basis of their periodic mesoscale structures and crystal-like properties.

  7. Two-dimensional periodic and quasiperiodic spatial structures in microchip laser resonator

    CERN Document Server

    Okulov, A Yu

    2014-01-01

    The spatially periodic 2D patterns at output mirror of solid state microchip laser with high Fresnel number (100-1000) are discussed in view of numerical modeling with split-step FFT code comprising nonlinear gain, relaxation of inversion and paraxial diffraction.

  8. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation

    Science.gov (United States)

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-01

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  9. Detection and assessment of damage in 2D structures using measured modal response

    Science.gov (United States)

    Banan, Mohammad Reza; Mehdi-pour, Yousef

    2007-10-01

    Motivated by one of the concepts in the field of health monitoring for structural systems, a damage detection procedure is developed. In order to perform the system health monitoring, structural health along with sensor and actuator malfunction must be continuously checked. As a step toward developing a system health-monitoring scheme, this paper investigated structural damage detection, using a constrained eigenstructure assignment. The proposed damage detection method is constructed based on a concept of control theory and subspace rotation for two-dimensional (2D)-structural systems. To demonstrate the capabilities of the developed damage detection algorithm, the behavior of a simulated degraded braced-frame structure is studied. Using Monte Carlo simulation, the performance of the approach is evaluated. It shows that the proposed algorithm is potentially promising for application to real cases.

  10. A two-dimensional Dirac fermion microscope

    Science.gov (United States)

    Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

    2017-06-01

    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  11. A two-dimensional Dirac fermion microscope.

    Science.gov (United States)

    Bøggild, Peter; Caridad, José M; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

    2017-06-09

    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  12. Observation of mesoscopic crystalline structures in a two-dimensional Rydberg gas

    CERN Document Server

    Schauß, Peter; Endres, Manuel; Fukuhara, Takeshi; Hild, Sebastian; Omran, Ahmed; Pohl, Thomas; Gross, Christian; Kuhr, Stefan; Bloch, Immanuel

    2012-01-01

    The ability to control and tune interactions in ultracold atomic gases has paved the way towards the realization of new phases of matter. Whereas experiments have so far achieved a high degree of control over short-ranged interactions, the realization of long-range interactions would open up a whole new realm of many-body physics and has become a central focus of research. Rydberg atoms are very well-suited to achieve this goal, as the van der Waals forces between them are many orders of magnitude larger than for ground state atoms. Consequently, the mere laser excitation of ultracold gases can cause strongly correlated many-body states to emerge directly when atoms are transferred to Rydberg states. A key example are quantum crystals, composed of coherent superpositions of different spatially ordered configurations of collective excitations. Here we report on the direct measurement of strong correlations in a laser excited two-dimensional atomic Mott insulator using high-resolution, in-situ Rydberg atom imag...

  13. Quantifying Resonant Structure in NGC 6946 from Two-dimensional Kinematics

    CERN Document Server

    Fathi, Kambiz; Falcón-Barroso, Jesús; Beckman, John E; Hernandez, Olivier; Daigle, Olivier; Carignan, Claude; de Zeeuw, Tim

    2007-01-01

    We study the two-dimensional kinematics of the H-alpha-emitting gas in the nearby barred Scd galaxy, NGC 6946, in order to determine the pattern speed of the primary m=2 perturbation mode. The pattern speed is a crucial parameter for constraining the internal dynamics, estimating the impact velocities of the gravitational perturbation at the resonance radii, and to set up an evolutionary scenario for NGC 6946. Our data allows us to derive the best fitting kinematic position angle and the geometry of the underlying gaseous disk, which we use to derive the pattern speed using the Tremaine-Weinberg method. We find a main pattern speed Omega_p=22 km/s/kpc, but our data clearly reveal the presence of an additional pattern speed Omega_p=47 km/s/kpc in a zone within 1.25 kpc of the nucleus. Using the epicyclic approximation, we deduce the location of the resonance radii and confirm that inside the outer Inner Lindblad Resonance radius of the main oval, a primary bar has formed rotating at more than twice the outer p...

  14. Quantifying Resonant Structure in NGC 6946 from Two-dimensional Kinematics

    Science.gov (United States)

    Fathi, Kambiz; Toonen, Silvia; Falcón-Barroso, Jesús; Beckman, John E.; Hernandez, Olivier; Daigle, Olivier; Carignan, Claude; de Zeeuw, Tim

    2007-10-01

    We study the two-dimensional kinematics of the Hα-emitting gas in the nearby barred Scd galaxy NGC 6946, in order to determine the pattern speed of the primary m=2 perturbation mode. The pattern speed is a crucial parameter for constraining the internal dynamics, estimating the impact velocities of the gravitational perturbation at the resonance radii, and setting up an evolutionary scenario for NGC 6946. Our data allow us to derive the best-fitting kinematic position angle and the geometry of the underlying gaseous disk, which we use to derive the pattern speed using the Tremaine-Weinberg method. We find a main pattern speed ΩPp=22+4-1 km s-1 kpc-1, but our data clearly reveal the presence of an additional pattern speed ΩSp=47+3-2 km s-1 kpc-1 in a zone within 1.25 kpc of the nucleus. Using the epicyclic approximation, we deduce the location of the resonance radii and confirm that inside the outer inner Lindblad resonance radius of the main oval, a primary bar has formed rotating at more than twice the outer pattern speed. We further confirm that a nuclear bar has formed inside the inner Lindblad resonance radius of the primary bar, coinciding with the inner inner Lindblad resonance radius of the large-scale m=2 mode oval.

  15. Formation of Photonic Structures in Photorefractive Lithium Niobate by 1D and 2D Bessel-like Optical Fields

    Science.gov (United States)

    Inyushov, A.; Safronova, P.; Trushnikov, I.; Sarkyt, A.; Shandarov, V.

    2017-06-01

    Both, one-dimensional (1D) and two-dimensional (2D) Bessel-like beams with different topology of 2D beam cross-sections are formed from Gaussian laser beams using the amplitude masks and Fresnel biprisms. These almost diffraction-free light fields with wavelengths of 532 and 633 nm can change the refractive indices of photorefractive lithium niobate samples and form within them the nonlinear photonic diffraction structures. The characteristics of photonic structures induced in this way are studied by diffraction of monochromatic light with wavelengths of 633 and 532 nm.

  16. A matrix-exponential decomposition based time-domain method for calculating the defect states of scalar waves in two-dimensional periodic structures

    Science.gov (United States)

    Su, Xiao-Xing; Wang, Yue-Sheng; Zhang, Chuanzeng

    2017-05-01

    A time-domain method for calculating the defect states of scalar waves in two-dimensional (2D) periodic structures is proposed. In the time-stepping process of the proposed method, the column vector containing the spatially sampled field values is updated by multiplying it with an iteration matrix, which is written in a matrix-exponential form. The matrix-exponential is first computed by using the Suzuki's decomposition based technique of the fourth order, in which the Floquet-Bloch boundary conditions are incorporated. The obtained iteration matrix is then squared to enlarge the time-step that can be used in the time-stepping process (namely, the squaring technique), and the small nonzero elements in the iteration matrix is finally pruned to improve the sparse structure of the matrix (namely, the pruning technique). The numerical examples of the super-cell calculations for 2D defect-containing phononic crystal structures show that, the fourth order decomposition based technique for the matrix-exponential computation is much more efficient than the frequently used precise integration technique (PIT) if the PIT is of an order greater than 2. Although it is not unconditionally stable, the proposed time-domain method is particularly efficient for the super-cell calculations of the defect states in a 2D periodic structure containing a defect with a wave speed much higher than those of the background materials. For this kind of defect-containing structures, the time-stepping process can run stably for a sufficiently large number of the time-steps with a time-step much larger than the Courant-Friedrichs-Lewy (CFL) upper limit, and consequently the overall efficiency of the proposed time-domain method can be significantly higher than that of the conventional finite-difference time-domain (FDTD) method. Some physical interpretations on the properties of the band structures and the defect states of the calculated periodic structures are also presented.

  17. Reconstruction of two-dimensional molecular structure with laser-induced electron diffraction from laser-aligned polyatomic molecules

    Science.gov (United States)

    Yu, Chao; Wei, Hui; Wang, Xu; Le, Anh-Thu; Lu, Ruifeng; Lin, C. D.

    2015-01-01

    Imaging the transient process of molecules has been a basic way to investigate photochemical reactions and dynamics. Based on laser-induced electron diffraction and partial one-dimensional molecular alignment, here we provide two effective methods for reconstructing two-dimensional structure of polyatomic molecules. We demonstrate that electron diffraction images in both scattering angles and broadband energy can be utilized to retrieve complementary structure information, including positions of light atoms. With picometre spatial resolution and the inherent femtosecond temporal resolution of lasers, laser-induced electron diffraction method offers significant opportunities for probing atomic motion in a large molecule in a typical pump-probe measurement. PMID:26503116

  18. A Pseudospectral Time-Domain Algorithm for Calculating the Band Structure of a Two-Dimensional Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    何江平; 沈林放; 张全; 何赛灵

    2002-01-01

    A pseudospectral time-domain (PSTD) method is developed for calculating the band structure of a two-dimensional photonic crystal. Maxwell's equations are rewritten in terms of period fields by using the Bloch theorem. Instead of spatial finite differences, the fast Fourier transform is used to calculate the spatial derivatives. To reach a similar accuracy, fewer sample points are required in the present PSTD method as compared to the conventional finite-difference time-domain methods. Our numerical simulation shows that the present PSTD method is an efficient and accurate method for calculating the band structure of a photonic crystal.

  19. A study of frequency band structure in two-dimensional homogeneous anisotropic phononic K3-metamaterials

    Science.gov (United States)

    Gorshkov, V. N.; Navadeh, N.; Fallah, A. S.

    2017-09-01

    Phononic metamaterials are synthesised materials in which locally resonant units are arranged in a particular geometry of a substratum lattice and connected in a predefined topology. This study investigates dispersion surfaces in two-dimensional anisotropic acoustic metamaterials involving mass-in-mass units connected by massless springs in K3 topology. The reasons behind the particular choice of this topology are explained. Two sets of solutions for the eigenvalue problem | {\\boldsymbol{D}}({ω }2,{\\boldsymbol{k}})| =0 are obtained and the existence of absolutely different mechanisms of gap formation between acoustic and optical surface frequencies is shown as a bright display of quantum effects like strong coupling, energy splitting, and level crossings in classical mechanical systems. It has been concluded that a single dimensionless parameter i.e. relative mass controls the order of formation of gaps between different frequency surfaces. If the internal mass of the locally resonant mass-in-mass unit, m, increases relative to its external mass, M, then the coupling between the internal and external vibrations in the whole system rises sharply, and a threshold {μ }* is reached so that for m/M> {μ }* the optical vibrations break the continuous spectrum of ‘acoustic phonons’ creating the gap between them for any value of other system parameters. The methods to control gap parameters and polarisation properties of the optical vibrations created over these gaps were investigated. Dependencies of morphology and width of gaps for several anisotropic cases have been expounded and the physical meaning of singularity at the point of tangential contact between two adjacent frequency surfaces has been provided. Repulsion between different frequency band curves, as planar projections of surfaces, has been explained. The limiting case of isotropy has been discussed and it has been shown that, in the isotropic case, the lower gap always forms, irrespective of the value

  20. Two-Dimensional Electronic Spectroscopies for Probing Electronic Structure and Charge Transfer: Applications to Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Ogilvie, Jennifer P. [Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics

    2016-11-22

    Photosystem II (PSII) is the only known natural enzyme that uses solar energy to split water, making the elucidation of its design principles critical for our fundamental understanding of photosynthesis and for our ability to mimic PSII’s remarkable properties. This report discusses progress towards addressing key open questions about the PSII RC. It describes new spectroscopic methods that were developed to answer these questions, and summarizes the outcomes of applying these methods to study the PSII RC. Using 2D electronic spectroscopy and 2D electronic Stark spectroscopy, models for the PSII RC were tested and refined. Work is ongoing to use the collected data to elucidate the charge separation mechanism in the PSII RC. Coherent dynamics were also observed in the PSII RC for the first time. Through extensive characterization and modeling we have assigned these coherences as vibronic in nature, and believe that they reflect resonances between key vibrational pigment modes and electronic energy gaps that may facilitate charge separation. Work is ongoing to definitively test the functional relevance of electronic-vibrational resonances.

  1. Si-B-C陶瓷涂敷2D C/SiC复合材料的抗氧化性能%Oxidation resistance of two dimensional C/SiC composite coated with Si-B-C ceramic

    Institute of Scientific and Technical Information of China (English)

    左新章; 张立同; 刘永胜; 成来飞; 龚慧灵

    2013-01-01

    Two dimensional C/SiC composite coated with Si-B-C ceramic was prepared via chemical vapor deposition (CVD).Properties and structure evolution and self-healing mechanisms of the C/SiC composite were studied after oxidation for 10 h during 700-1200 ℃.At the same time,the evolution of morphologies,composition and phase for Si-B-C ceramic were also investigated.The experimental results show that the oxidation of Si-B-C ceramic accelerates with the temperature increasing,however,the oxidation scale is shallow and no more than 7 μm.With the temperature increasing,viscosity of borosilicate glass oxidized from Si-B-C ceramic reduces but volatilization accelerates.When the temperature increases to 1200 ℃,SiO2 crystallizes from borosilicate glass.C/SiC composite coated with Si-B-C ceramic shows an excellent oxidation resistance.Mass loss increases with temperature increasing,which is only 0.47% after oxidation for 10 h at 1200 ℃.Furthermore,the strength retention ratio is 91.6% at 1000 ℃,higher than that at other temperatures.The main mechanisms for excellent oxidation resistance of C/SiC composite is that borosilicatc glass oxidized from Si-B-C ceramic can seal cracks in composite effectively.%利用化学气相沉积(CVD)法制备了Si-B-C陶瓷涂敷改性的2D C/SiC复合材料,研究了其在700~1200℃氧化10 h性能和结构的演变规律以及自愈合机制,同时获得了Si-B-C涂层在不同温度氧化后的形貌、组分和物相转变规律.结果表明:涂敷在复合材料表面的Si-B-C陶瓷随温度的升高氧化加快,但氧化程度较低,不深于7μm;随温度的升高,氧化形成的硅硼玻璃黏度降低,挥发增强;当温度达到1200℃时,硅硼玻璃析出SiO2晶体;Si-B-C陶瓷涂敷改性的C/SiC具有优良的抗氧化性能,随氧化温度的升高,复合材料失重率增加,但在1200℃氧化10h后失重率仅为0.47%;此外材料在1000℃氧化后的强度保持率最高,达到91.6%,Si-B-C陶瓷氧化形

  2. An Arbitrary 2D Structured Replica Control Protocol

    OpenAIRE

    Basmadjian, Robert; Meer, Hermann,

    2011-01-01

    Traditional replication protocols that logically arrange the replicas into a specific structure have reasonable availability, lower communication cost as well as system load than those that do not require any logical organisation of replicas. We propose in this paper the A2DS protocol: a single protocol that, unlike the existing proposed protocols, can be adapted to any 2D structure. Its read operation is carried out on any replica of every level of the structure whereas write operations are ...

  3. Atomic structure and electronic properties of the two-dimensional (Au ,Al )/Si (111 )2 ×2 compound

    Science.gov (United States)

    Gruznev, D. V.; Bondarenko, L. V.; Matetskiy, A. V.; Tupchaya, A. Y.; Chukurov, E. N.; Hsing, C. R.; Wei, C. M.; Eremeev, S. V.; Zotov, A. V.; Saranin, A. A.

    2015-12-01

    A combination of scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, ab initio random structure searching, and density functional theory electronic structure calculations was applied to elucidate the atomic arrangement and electron band structure of the (Au ,Al )/Si (111 )2 ×2 two-dimensional compound formed upon Al deposition onto the mixed 5 ×2 /√{3 }×√{3 } Au/Si(111) surface. It was found that the most stable 2 ×2 -(Au, Al) compound incorporates four Au atoms, three Al atoms, and two Si atoms per 2 ×2 unit cell. Its atomic arrangement can be visualized as an array of meandering Au atomic chains with two-thirds of the Al atoms incorporated into the chains and one-third of the Al atoms interconnecting the chains. The compound is metallic and its electronic properties can be controlled by appropriate Al dosing since energetic location of the bands varies by ˜0.5 eV during increasing of Al contents. The 2 ×2 -(Au, Al) structure appears to be lacking the C3 v symmetry typical for the hexagonal lattices. The consequence of the peculiar atomic structure of the two-dimensional alloy is spin splitting of the metallic states, which should lead to anisotropy of the current-induced in-plane spin polarization.

  4. Synthesis of two-dimensional TlxBi1−x compounds and Archimedean encoding of their atomic structure

    Science.gov (United States)

    Gruznev, Dimitry V.; Bondarenko, Leonid V.; Matetskiy, Andrey V.; Mihalyuk, Alexey N.; Tupchaya, Alexandra Y.; Utas, Oleg A.; Eremeev, Sergey V.; Hsing, Cheng-Rong; Chou, Jyh-Pin; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.

    2016-01-01

    Crystalline atomic layers on solid surfaces are composed of a single building block, unit cell, that is copied and stacked together to form the entire two-dimensional crystal structure. However, it appears that this is not an unique possibility. We report here on synthesis and characterization of the one-atomic-layer-thick TlxBi1−x compounds which display quite a different arrangement. It represents a quasi-periodic tiling structures that are built by a set of tiling elements as building blocks. Though the layer is lacking strict periodicity, it shows up as an ideally-packed tiling of basic elements without any skips or halting. The two-dimensional TlxBi1−x compounds were formed by depositing Bi onto the Tl-covered Si(111) surface where Bi atoms substitute appropriate amount of Tl atoms. Atomic structure of each tiling element as well as arrangement of TlxBi1−x compounds were established in a detail. Electronic properties and spin texture of the selected compounds having periodic structures were characterized. The shown example demonstrates possibility for the formation of the exotic low-dimensional materials via unusual growth mechanisms. PMID:26781340

  5. Synthesis of two-dimensional TlxBi1-x compounds and Archimedean encoding of their atomic structure

    Science.gov (United States)

    Gruznev, Dimitry V.; Bondarenko, Leonid V.; Matetskiy, Andrey V.; Mihalyuk, Alexey N.; Tupchaya, Alexandra Y.; Utas, Oleg A.; Eremeev, Sergey V.; Hsing, Cheng-Rong; Chou, Jyh-Pin; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.

    2016-01-01

    Crystalline atomic layers on solid surfaces are composed of a single building block, unit cell, that is copied and stacked together to form the entire two-dimensional crystal structure. However, it appears that this is not an unique possibility. We report here on synthesis and characterization of the one-atomic-layer-thick TlxBi1-x compounds which display quite a different arrangement. It represents a quasi-periodic tiling structures that are built by a set of tiling elements as building blocks. Though the layer is lacking strict periodicity, it shows up as an ideally-packed tiling of basic elements without any skips or halting. The two-dimensional TlxBi1-x compounds were formed by depositing Bi onto the Tl-covered Si(111) surface where Bi atoms substitute appropriate amount of Tl atoms. Atomic structure of each tiling element as well as arrangement of TlxBi1-x compounds were established in a detail. Electronic properties and spin texture of the selected compounds having periodic structures were characterized. The shown example demonstrates possibility for the formation of the exotic low-dimensional materials via unusual growth mechanisms.

  6. Synthesis of two-dimensional Tl(x)Bi(1-x) compounds and Archimedean encoding of their atomic structure.

    Science.gov (United States)

    Gruznev, Dimitry V; Bondarenko, Leonid V; Matetskiy, Andrey V; Mihalyuk, Alexey N; Tupchaya, Alexandra Y; Utas, Oleg A; Eremeev, Sergey V; Hsing, Cheng-Rong; Chou, Jyh-Pin; Wei, Ching-Ming; Zotov, Andrey V; Saranin, Alexander A

    2016-01-19

    Crystalline atomic layers on solid surfaces are composed of a single building block, unit cell, that is copied and stacked together to form the entire two-dimensional crystal structure. However, it appears that this is not an unique possibility. We report here on synthesis and characterization of the one-atomic-layer-thick Tl(x)Bi(1-x) compounds which display quite a different arrangement. It represents a quasi-periodic tiling structures that are built by a set of tiling elements as building blocks. Though the layer is lacking strict periodicity, it shows up as an ideally-packed tiling of basic elements without any skips or halting. The two-dimensional Tl(x)Bi(1-x) compounds were formed by depositing Bi onto the Tl-covered Si(111) surface where Bi atoms substitute appropriate amount of Tl atoms. Atomic structure of each tiling element as well as arrangement of Tl(x)Bi(1-x) compounds were established in a detail. Electronic properties and spin texture of the selected compounds having periodic structures were characterized. The shown example demonstrates possibility for the formation of the exotic low-dimensional materials via unusual growth mechanisms.

  7. Thermodynamic and real-space structural evidence of a 2D critical point in phospholipid monolayers

    DEFF Research Database (Denmark)

    Nielsen, Lars K.; Bjørnholm, Thomas; Mouritsen, Ole G.

    2007-01-01

    The two-dimensional phase diagram of phospholipid monolayers at air-water interfaces has been constructed from Langmuir compression isotherms. The coexistence region between the solid and fluid phases of the monolayer ends at the critical temperature of the transition. The small-scale lateral...... structure of the monolayers has been imaged by atomic force microscopy in the nm to mu m range at distinct points in the phase diagram. The lateral structure is immobilized by transferring the monolayer from an air-water interface to a solid mica support using Langmuir-Blodgett techniques. A transfer...... a critical point. The critical behavior inferred from the thermodynamic as well as the structural data is found to be consistent with the 2D Ising universality class. Additional results are presented demonstrating the presence of striped phases and coexisting domains in binary mixtures....

  8. Light extraction of GaN LEDs with 2-D photonic crystal structure

    Institute of Scientific and Technical Information of China (English)

    Hongwei Liu; Qiang Kan; Chunxia Wang; Feng Yu; Xingsheng Xu; Hongda Chen

    2009-01-01

    Ultraviolet photo-lithography is employed to introduce two-dimensional (2D) photonic crystal (PC) structure on the top surface of GaN-based light emitting diode (LED).PC patterns are transferred to 460-nmthick transparent indium tin oxide (ITO) electrode by inductively coupled plasma (ICP) etching.Light intensity of PC-LED can be enhanced by 38% comparing with the one without PC structure.Rigorous coupled wave analysis method is performed to calculate the light transmission spectrum of PC slab.Simulation results indicate that total internal reflect angle which modulated by PC structure has been increased by 7°,which means that the light extraction efficiency is enhanced outstandingly.

  9. The spin structure of the proton at low $x$ and low $Q^2$ in two-dimensional bins from COMPASS

    CERN Document Server

    Nunes, A.S.

    2016-01-01

    The longitudinal double spin asymmetries $A_1^p$ and the spin dependent structure function of the proton $g_1^p$ were extracted from COMPASS data in the region of low Bjorken scaling variable $x$ and low photon virtuality $Q^2$. The data were taken in 2007 and 2011 from scattering of polarised muons off polarised protons, resulting in a sample that is 150 times larger than the one from the previous experiment SMC that pioneered studies in this kinematic region. For the first time, $A_1^p$ and $g_1^p$ were evaluated in this region in two-dimensional bins of kinematic variables: $(x,Q^2)$, $(\

  10. Design of a Photonic-Crystal Channel-Drop Filter Based on the Two-Dimensional Triangular-Lattice Hole Structure

    Institute of Scientific and Technical Information of China (English)

    Kyu; Hwan; Hwang; G.; Hugh; Song; Chanmook; Lim; Soan; Kim; Kyung-Won; Chun; Mahn; Yong; Park

    2003-01-01

    A channel-drop filter has been designed based on the two-dimensional triangular-lattice hole photonic-crystal structure, which consists of two line defects and two point defects, by a two-dimensional finite-difference time-domain simulation.

  11. The NH$_2$D hyperfine structure revealed by astrophysical observations

    CERN Document Server

    Daniel, F; Punanova, A; Harju, J; Faure, A; Roueff, E; Sipilä, O; Caselli, P; Güsten, R; Pon, A; Pineda, J E

    2016-01-01

    The 1$_{11}$-1$_{01}$ lines of ortho and para--NH$_2$D (o/p-NH$_2$D), respectively at 86 and 110 GHz, are commonly observed to provide constraints on the deuterium fractionation in the interstellar medium. In cold regions, the hyperfine structure due to the nitrogen ($^{14}$N) nucleus is resolved. To date, this splitting is the only one which is taken into account in the NH$_2$D column density estimates. We investigate how the inclusion of the hyperfine splitting caused by the deuterium (D) nucleus affects the analysis of the rotational lines of NH$_2$D. We present 30m IRAM observations of the above mentioned lines, as well as APEX o/p-NH$_2$D observations of the 1$_{01}$-0$_{00}$ lines at 333 GHz. The hyperfine spectra are first analyzed with a line list that only includes the hyperfine splitting due to the $^{14}$N nucleus. We find inconsistencies between the line widths of the 1$_{01}$-0$_{00}$ and 1$_{11}$-1$_{01}$ lines, the latter being larger by a factor of $\\sim$1.6$\\pm0.3$. Such a large difference is...

  12. Generation of eye field/optic vesicle-like structures from human embryonic stem cells under two-dimensional and chemically defined conditions.

    Science.gov (United States)

    Parvini, Maryam; Parivar, Kazem; Safari, Fatemeh; Tondar, Mahdi

    2015-03-01

    Despite the enormous progress in studying retinal cell differentiation from human embryonic stem cells (hESCs), none of the reported protocols have produced a cost-effective eye field cells with the capability to further differentiate into retinal derivatives. In this study, by drawing chemicals on our four-step differentiation strategy, we demonstrated the ability of hESCs in assembling such qualifications to follow human retinogenesis in a serum- and feeder-free adherent condition. Two-dimensional (2D) populations of eye field cells arose within early forebrain progeny upon hESCs differentiation. Gene expression analysis showed that the treatment of hESCs with a combination of selected small molecules (SMs) gave rise to the higher expressions of eye field-specific genes, PAX6, RX, and SIX3. Thereafter, a subset of cells gained the transient features of advancing retinal differentiation, including optic vesicle (OV)-like structures, which expressed MITF and CHX10 in a manner imitated in vivo human retinal development. The competency of derived cells in differentiation to retinal derivatives was further investigated. The gene analysis of the cells showed more propensity for generating retinal pigment epithelial (RPE) than neural retina (NR). The generation of OV-like structures in 2D cultures can shed light on molecular events governing retinal specification. It can also facilitate the study of human retinal development.

  13. A Novel 2D Z-Shaped Electromagnetic Bandgap Structure

    Directory of Open Access Journals (Sweden)

    I. Iliev

    2015-02-01

    Full Text Available This paper researches a novel 2D Z-shaped Electromagnetic Band-Gap (EBG structure, its dispersion diagram and application field. Based on a transmission line model, the dispersion equation is derived and theoretically investigated. In order to validate theoretical results, a full wave analysis is performed and the electromagnetic properties of the structure are revealed. The theoretical results show good agreement with the full wave simulation results. The frequency response of the structure is compared to the well know structures of Jerusalem cross and patch EBG. The results show the applicability of the proposed 2D Z-shaped EBG in microstrip patch antennas, microstrip filters and high speed switching circuits, where the suppression of parasitic surface wave is required.

  14. Complete photonic band gaps and tunable self-collimation in the two-dimensional plasma photonic crystals with a new structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hai-Feng, E-mail: hanlor@163.com [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing University of Aeronautics and Astronautics), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Nanjing Artillery Academy, Nanjing 211132 (China); Ding, Guo-Wen; Li, Hai-Ming; Liu, Shao-Bin [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing University of Aeronautics and Astronautics), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2015-02-15

    In this paper, the properties of complete photonic band gaps (CPBGs) and tunable self-collimation in two-dimensional plasma photonic crystals (2D PPCs) with a new structure in square lattices, whose dielectric fillers (GaAs) are inserted into homogeneous and nomagnetized plasma background are theoretically investigated by a modified plane wave expansion (PWE) method with a novel technique. The novel PWE method can be utilized to compute the dispersion curves of 2D PPCs with arbitrary-shaped cross section in any lattices. As a comparison, CPBGs of PPCs for four different configurations are numerically calculated. The computed results show that the proposed design has the advantages of achieving the larger CPBGs compared to the other three configurations. The influences of geometric parameters of filled unit cell and plasma frequency on the properties of CPBGs are studied in detail. The calculated results demonstrate that CPBGs of the proposed 2D PPCs can be easily engineered by changing those parameters, and the larger CPBGs also can be obtained by optimization. The self-collimation in such 2D PPCs also is discussed in theory under TM wave. The theoretical simulations reveal that the self-collimation phenomena can be found in the TM bands, and both the frequency range of self-collimation and the equifrequency surface contours can be tuned by the parameters as mentioned above. It means that the frequency range and direction of electromagnetic wave can be manipulated by designing, as it propagates in the proposed PPCs without diffraction. Those results can hold promise for designing the tunable applications based on the proposed PPCs.

  15. 基于FPGA快速二维DCT图像编码结构%FPGA Rapid Two-dimensional DCT Image Coding Structure

    Institute of Scientific and Technical Information of China (English)

    龙飞; 李良荣; 李绪诚

    2012-01-01

    本文提出了一种二维DCT快速算法的FPGA实现结构,采用行列分解算法将二维DCT分解成两个一维DCT和一个转置缓冲器组成的结构,其中一雏DCT借鉴Arai DCT算法,并采取了FPGA特有的并行的流水线技术,该结构极大减少了加法器和乘法器的数量,节省了计算时间.该结构的特点是高数据吞吐率、硬件资源消耗少,功耗低.实验结果证明了二维DCT核设计的正确性,适合图像的实时处理.%In this paper, a two-dimensional DCT fast algorithm for FPGA implementation structure. Decomposition algorithm using the line-column, 2D-DCT is broken down into the structure of two 1D-DCT and a transpose buffer, and 1D-DCT is learn from Arai DCT algorithm, and mining is indeed a unique parallel pipeline technique in FPGA. The structure greatly reduces the adder and multiplier is the number, to save calculation time. The structure is characterized by high data throughput, the hardware resource consumption, low power consumption. The experimental results show the correctness of the two-dimensional DCT core design, suitable for real-time processing of the image.

  16. One- and Two-Dimensional Maximum Softening Indicators for Reinforced Concrete Structures under Seismic Excitation

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.; Köyüoglu, H. U.; Cakmak, A. S.

    The maximum softening concept is based on the variation of the vibrational periods of a structure during a seismic event. Maximum softening damage indicators, which measure the maximum relative stiffness reduction caused by stiffness and strength deterioration of the actual structure, are calcula......The maximum softening concept is based on the variation of the vibrational periods of a structure during a seismic event. Maximum softening damage indicators, which measure the maximum relative stiffness reduction caused by stiffness and strength deterioration of the actual structure...

  17. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

  18. Quantum ratchet effects induced by terahertz radiation in GaN-based two-dimensional structures

    NARCIS (Netherlands)

    Weber, W.; Golub, L. E.; Danilov, S. N.; Karch, J.; Reitmaier, C.; Wittmann, B.; Bel' kov, V. V.; Ivchenko, E. L.; Kvon, Z. D.; Vinh, N. Q.; van der Meer, A. F. G.; Murdin, B.; Ganichev, S. D.

    2008-01-01

    Photogalvanic effects are observed and investigated in wurtzite (0001)-oriented GaN/AlGaN low-dimensional structures excited by terahertz radiation. The structures are shown to represent linear quantum ratchets. Experimental and theoretical analysis exhibits that the observed photocurrents are relat

  19. Quantum ratchet effects induced by terahertz radiation in GaN-based two-dimensional structures

    Science.gov (United States)

    Weber, W.; Golub, L. E.; Danilov, S. N.; Karch, J.; Reitmaier, C.; Wittmann, B.; Bel'Kov, V. V.; Ivchenko, E. L.; Kvon, Z. D.; Vinh, N. Q.; van der Meer, A. F. G.; Murdin, B.; Ganichev, S. D.

    2008-06-01

    Photogalvanic effects are observed and investigated in wurtzite (0001)-oriented GaN/AlGaN low-dimensional structures excited by terahertz radiation. The structures are shown to represent linear quantum ratchets. Experimental and theoretical analysis exhibits that the observed photocurrents are related to the lack of an inversion center in the GaN-based heterojunctions.

  20. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

  1. Structural Complexity and Phonon Physics in 2D Arsenenes.

    Science.gov (United States)

    Carrete, Jesús; Gallego, Luis J; Mingo, Natalio

    2017-03-15

    In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends crucially on temperature. We also show that one of those four phases is in fact mechanically unstable. Furthermore, our results challenge the common assumption of an inverse correlation between structural complexity and thermal conductivity. Instead, a richer picture emerges from our results, showing how harmonic interactions, anharmonicity, and symmetries all play a role in modulating thermal conduction in arsenenes. More generally, our conclusions highlight how vibrational properties are an essential element to be carefully taken into account in theoretical searches for new 2D materials.

  2. Band-structure engineering in conjugated 2D polymers.

    Science.gov (United States)

    Gutzler, Rico

    2016-10-26

    Conjugated polymers find widespread application in (opto)electronic devices, sensing, and as catalysts. Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules. Extending π-conjugation into the second dimension unlocks a new class of semiconductive polymers which as a consequence of their unique electronic properties can find usability in numerous applications. In this article the theoretical band structures of a set of conjugated 2D polymers are compared and information on the important characteristics band gap and valence/conduction band dispersion is extracted. The great variance in these characteristics within the investigated set suggests 2D polymers as exciting materials in which band-structure engineering can be used to tailor sheet-like organic materials with desired electronic properties.

  3. When is high-dimensional scattering chaos essentially two dimensional? Measuring the product structure of singularities.

    Science.gov (United States)

    Drótos, G; Jung, C; Tél, T

    2012-11-01

    We demonstrate how the area of the enveloping surface of the scattering singularities in a three-degrees-of-freedom (3-dof) system depends on a perturbation parameter controlling the distance from a reducible case. This dependence is monotonic and approximately linear. Therefore it serves as a measure for this distance, which can be extracted from an investigation of the fractal structure. These features are a consequence of the dynamics being governed by normally hyperbolic invariant manifolds. We conclude that typical n-dof chaotic scattering exhibits either structures developing out of a stack of chaotic structures of 2-dof type or hardly any chaotic effects.

  4. Photonic Band Gaps in Two-Dimensional Crystals with Fractal Structure

    Institute of Scientific and Technical Information of China (English)

    刘征; 徐建军; 林志方

    2003-01-01

    We simulate the changes of the photonic band structure of the crystal in two dimensions with a quasi-fractal structure when it is fined to a fractal. The result shows that when the dielectric distribution is fined, the photonic band structure will be compressed on the whole and the ground photonic band gap (PBG) closed while the next PBGs shrunk, in conjunction with their position declining in the frequency spectrum. Furthermore, the PBGs in the high zone are much more sensitive than those in low zones.

  5. Application of conformal map theory for design of 2-D ultrasonic array structure for NDT imaging application: a feasibility study.

    Science.gov (United States)

    Ramadas, Sivaram N; Jackson, Joseph C; Dziewierz, Jerzy; O'Leary, Richard; Gachagan, Anthony

    2014-03-01

    Two-dimensional ultrasonic phased arrays are becoming increasingly popular in nondestructive evaluation (NDE). Sparse array element configurations are required to fully exploit the potential benefits of 2-D phased arrays. This paper applies the conformal mapping technique as a means of designing sparse 2-D array layouts for NDE applications. Modeling using both Huygens' field prediction theory and 2-D fast Fourier transformation is employed to study the resulting new structure. A conformal power map was used that, for fixed beam width, was shown in simulations to have a greater contrast than rectangular or random arrays. A prototype aperiodic 2-D array configuration for direct contact operation in steel, with operational frequency ~3 MHz, was designed using the array design principle described in this paper. Experimental results demonstrate a working sparse-array transducer capable of performing volumetric imaging.

  6. Topologiacl Models of 2D Fractal Cellular Structures

    Science.gov (United States)

    Le Caër, G.; Delannay, R.

    1995-11-01

    In space-filling 2D cellular structures with trivalent vertices and in which each cell is constrained to share at most one side with any cell and no side with itself, the maximum fraction of three-sided cells is produced by a decoration of vertices of any initial structure by three-sided cells. Fractal cellular structures are obtained if the latter decoration process is iterated indefinitely. Other methods of constructions of fractal structures are also described. The probability distribution P(n) of the number n of cell sides and some two-cell topological properties of a 2D fractal cellular structure constructed from the triangular Sierpinski gasket are investigated. On the whole, the repartition of cells in 2D structures with n geq 3 and P(3) ne 0 evolve regularly when topological disorder, conveniently measured by the variance μ2 of P(n), increases. The strong correlations which exist among cells, in particular in natural structures (μ2lesssim 5), decrease progressively when μ2 increases, a cell repartition close to a random one being reached for μ2sim 12. We argue that the structures finally evolve to fractal structures (for which μ2 is infinite) but we have not characterized the latter transition. Dans des structures cellulaires 2D à sommets trivalents qui remplissent l'espace et dans lesquelles une cellule partage au plus un côté avec toute autre cellule et aucun avec elle-même, la proportion maximum admissible de cellules à trois côtés est obtenue par une décoration de tous les sommets d'une structure initiale quelconque par des cellules à trois côtés. Des structures cellulaires “fractales” 2D sont ainsi engendrées si le processus précédent est répété à l'infini. D'autres méthodes de constructions de structures fractales sont également décrites. La distribution de probabilité P(n) du nombre n de côtés des cellules ainsi que des corrélations de paires sont étudiées pour une structure cellulaire fractale construite à partir

  7. Structured mirror array for two-dimensional collimation of a chromium beam in atom lithography

    Institute of Scientific and Technical Information of China (English)

    Zhang Wan-Jing; Ma Yan; Li Tong-Bao; Zhang Ping-Ping; Deng Xiao; Chen Sheng; Xiao Sheng-Wei

    2013-01-01

    Direct-write atom lithography,one of the potential nanofabrication techniques,is restricted by some difficulties in producing optical masks for the deposition of complex structures.In order to make further progress,a structured mirror array is developed to transversely collimate the chromium atomic beam in two dimensions.The best collimation is obtained when the laser red detunes by natural line-width of transition 7S3 → 7P40 of the chromium atom.The collimation ratio is 0.45 vertically (in x axis),and it is 0.55 horizontally (in y axis).The theoretical model is also simulated,and success of our structured mirror array is achieved.

  8. Simple vibration modeling of structural fuzzy with continuous boundary by including two-dimensional spatial memory

    DEFF Research Database (Denmark)

    Friis, Lars; Ohlrich, Mogens

    2008-01-01

    -dimensional continuous boundary. Additionally, a simple method for determining the so-called equivalent coupling factor is presented. The validity of this method is demonstrated by numerical simulations of the vibration response of a master plate structure with fuzzy attachments. It is revealed that the method performs...

  9. Fundamental interactions of vortical structures with boundary layers in two-dimensional flows

    DEFF Research Database (Denmark)

    Coutsias, E.A.; Lynov, Jens-Peter

    1991-01-01

    in the vorticity-stream function representation for bounded geometries. Fundamental processes connected to vorticity detachment from the boundary layers caused by the proximity of vortical structures are described. These processes include enstrophy enhancement of the main flow during bursting events, and pinning...

  10. Health Assessment of Large Two Dimensional Structures Using Limited Information: Recent Advances

    Directory of Open Access Journals (Sweden)

    Ajoy Kumar Das

    2012-01-01

    Full Text Available Some recent advances of a recently developed structural health assessment procedure proposed by the research team at the University of Arizona, commonly known as generalized iterative least-squares extended Kalman filter with unknown input (GILS-EKF-UI are presented. The procedure is a finite elements-based time-domain system-identification technique. It can assess structural health at the element level using only limited number of noise-contaminated responses. With the help of examples, it is demonstrated that the structure can be excited by multiple loadings simultaneously. The method can identify defects in various stages of degradation in single or multiple members and also relatively less severe defect. The defective element(s need not be in the substructure, but the defect detection capability increases if the defect spot is close to the substructure. Two alternatives are suggested to locate defect spot more accurately within a defective element. The paper advances several areas of GILS-EKF-UI to assess health of large structural systems.

  11. Two-dimensional simulations of temperature and current-density distribution in electromigrated structures

    Science.gov (United States)

    Kießig, Birgit; Schäfer, Roland; von Löhneysen, Hilbert

    2014-01-01

    We report on the application of a feedback-controlled electromigration technique for the formation of nanometre-sized gaps in mesoscopic gold wires and rings. The effect of current density and temperature, linked via Joule heating, on the resulting gap size is investigated. Our experiments include in situ measurements of the evolution of the electrical resistance and of the structure of the device during electromigration. Experimentally, a good thermal coupling to the substrate turned out to be crucial to reach electrode spacings below 10 nm and to avoid overall melting of the nanostructures. This finding is supported by numerical calculations of the current-density and temperature profiles for structure layouts subjected to electromigration. The numerical method can be used for optimizing the layout so as to predetermine the location where electromigration leads to the formation of a gap.

  12. Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure.

    Science.gov (United States)

    Rybin, Mikhail V; Samusev, Kirill B; Lukashenko, Stanislav Yu; Kivshar, Yuri S; Limonov, Mikhail F

    2016-08-05

    We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters.

  13. Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

    Science.gov (United States)

    Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

    2016-08-01

    We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters.

  14. Structural analysis of lime wood biodegraded by white rot fungi through infrared and two dimensional correlation spectroscopy techniques

    Science.gov (United States)

    Popescu, Carmen-Mihaela; Gradinariu, Petronela; Popescu, Maria-Cristina

    2016-11-01

    The action of the white rot fungi Phanerochaete crisosporium on the structure of lime wood (Tilia cordata) has been studied. The degree of decay was determined by weight loss, which was of 37% after 110 days. The samples were further analyzed by infrared and two dimensional correlation spectroscopy. The recorded spectra for different intervals of decay indicate variations in the intensities and width or wavenumber shifts of the bands assigned, both, for lignin and carbohydrates. An increase in the intensities of the bands from the carbonyl region due to formation of new structures, accompanied by the reduction of the methoxyl and methyl/methylene groups in lignin was evidenced. Further, the differences between reference and decayed wood spectra were examined in detail using 2DCOS spectroscopy and the second derivative analysis and the sequential order of modifications were established.

  15. Fabrication of two-dimensional visible wavelength nanoscale plasmonic structures using hydrogen silsesquioxane based resist

    Science.gov (United States)

    Smith, Kyle Z.; Gadde, Akshitha; Kadiyala, Anand; Dawson, Jeremy M.

    2016-03-01

    In recent years, the global market for biosensors has continued to increase in combination with their expanding use in areas such as biodefense/detection, home diagnostics, biometric identification, etc. A constant necessity for inexpensive, portable bio-sensing methods, while still remaining simple to understand and operate, is the motivation behind novel concepts and designs. Labeled visible spectrum bio-sensing systems provide instant feedback that is both simple and easy to work with, but are limited by the light intensity thresholds required by the imaging systems. In comparison, label-free bio-sensing systems and other detection modalities like electrochemical, frequency resonance, thermal change, etc., can require additional technical processing steps to convey the final result, increasing the system's complexity and possibly the time required for analysis. Further decrease in the detection limit can be achieved through the addition of plasmonic structures into labeled bio-sensing systems. Nano-structures that operate in the visible spectrum have feature sizes typically in the order of the operating wavelength, calling for high aspect ratio nanoscale fabrication capabilities. In order to achieve these dimensions, electron beam lithography (EBL) is used due to its accurate feature production. Hydrogen silsesquioxane (HSQ) based electron beam resist is chosen for one of its benefits, which is after exposure to oxygen plasma, the patterned resist cures into silicon dioxide (SiO2). These cured features in conjunction with nanoscale gold particles help in producing a high electric field through dipole generation. In this work, a detailed process flow of the fabrication of square lattice of plasmonic structures comprising of gold coated silicon dioxide pillars designed to operate at 560 nm wavelength and produce an intensity increase of roughly 100 percent will be presented.

  16. On the two-dimensional metallic state in silicon-on-insulator structures

    OpenAIRE

    Brunthaler, G.; Prinz, A.; Pillwein, G.; Lindelof, P. E.; Ahopelto, J.

    2002-01-01

    It is shown that the electronic conduction in silicon-on-insulator (SOI) layers exhibits a metallic regime which is very similar to that in high-mobility Si-metal oxide semiconductor structures (MOS). The peak in the electron mobility versus density, the strong drop in resistivity and the critical concentration for the metal-insulator transition are all consistent. On the basis of our SOI data for the temperature and in-plane magnetic field dependence of the resistivity, we discuss several mo...

  17. Photonic band structures of two-dimensional photonic crystals with deformed lattices

    Institute of Scientific and Technical Information of China (English)

    Cai Xiang-Hua; Zheng Wan-Hua; Ma Xiao-Tao; Ren Gang; Xia Jian-Bai

    2005-01-01

    Using the plane-wave expansion method, we have calculated and analysed the changes of photonic band structures arising from two kinds of deformed lattices, including the stretching and shrinking of lattices. The square lattice with square air holes and the triangular lattice with circular air holes are both studied. Calculated results show that the change of lattice size in some special ranges can enlarge the band gap, which depends strongly on the filling factor of air holes in photonic crystals; and besides, the asymmetric band edges will appear with the broken symmetry of lattices.

  18. Analysis of two-dimensional photonic band gap structure with a rhombus lattice

    Institute of Scientific and Technical Information of China (English)

    Limei Qi; Ziqiang Yang; Xi Gao; Zheng Liang

    2008-01-01

    @@ The relative band gap for a rhombus lattice photonic crystal is studied by plane wave expansion method and high frequency structure simulator (HFSS) simulation. General wave vectors in the first Briliouin zone are derived. The relative band gap as a function of air-filling factor and background material is investigated, respectively, and the nature of photonic band gap for different lattice angles is analyzed by the distribution of electric energy. These results would provide theoretical instruction for designing optical integrated devices using photonic crystal with a rhombus lattice.

  19. Two-dimensional analysis of coupled heat and moisture transport in masonry structures

    Science.gov (United States)

    Krejčí, Tomáš

    2016-06-01

    Reconstruction and maintenance of historical buildings and bridges require good knowledge of temperature and moisture distribution. Sharp changes in the temperature and moisture can lead to damage. This paper describes analysis of coupled heat and moisture transfer in masonry based on two-level approach. Macro-scale level describes the whole structure while meso-scale level takes into account detailed composition of the masonry. The two-level approach is very computationally demanding and it was implemented in parallel. The two-level approach was used in analysis of temperature and moisture distribution in Charles bridge in Prague, Czech Republic.

  20. Simulations of super-structure domain walls in two dimensional assemblies of magnetic nanoparticles

    DEFF Research Database (Denmark)

    Jordanovic, Jelena; Beleggia, Marco; Schiøtz, Jakob

    2015-01-01

    taking the role of the atomic spins. The coupling is, however, different. The superspins interact only by dipolar interactions as exchange coupling between individual nanoparticles may be neglected due to interparticle spacing. We observe that it is energetically favorable to introduce domain walls...... oriented along the long dimension of nanoparticle assemblies rather than along the short dimension. This is unlike what is typically observed in continuous magnetic materials, where the exchange interaction introduces an energetic cost proportional to the area of the domain walls. Structural disorder...

  1. Experimental investigation of the structure of supersonic two-dimensional air microjets

    Science.gov (United States)

    Timofeev, Ivan; Aniskin, Vladimir; Mironov, Sergey

    2016-10-01

    We have experimentally studied the structure of supersonic underexpanded room-temperature air jets escaping from micronozzles with characteristic heights from 47 to 175 µm and widths within 2410-3900 µm in a range of Reynolds numbers of 1280-9460. The dimensions of the first shock cell are established. The supersonic core length of supersonic underexpanded air jets has been determined for the first time. A flow regime with a large supersonic core length has observed for air jets escaping from a 47µm high nozzle.

  2. Moment-based method for computing the two-dimensional discrete Hartley transform

    Science.gov (United States)

    Dong, Zhifang; Wu, Jiasong; Shu, Huazhong

    2009-10-01

    In this paper, we present a fast algorithm for computing the two-dimensional (2-D) discrete Hartley transform (DHT). By using kernel transform and Taylor expansion, the 2-D DHT is approximated by a linear sum of 2-D geometric moments. This enables us to use the fast algorithms developed for computing the 2-D moments to efficiently calculate the 2-D DHT. The proposed method achieves a simple computational structure and is suitable to deal with any sequence lengths.

  3. Two-dimensional crystal CuS—electronic and structural properties

    Science.gov (United States)

    Soares, Antonio L., Jr.; Dos Santos, Egon C.; Morales-García, A.; Heine, Thomas; De Abreu, Heitor A.; Duarte, Hélio A.

    2017-03-01

    Covellite is a metallic layered mineral with rather strong interlayer interaction. Recently, synthesis of covellite nanosheets of 3.2 nm thickness was reported (Du et al 2012 Nat. Commun. 3 1177), which raises the question: ‘What is the thinnest possible covellite nanosheet?’ Based on density functional/plane waves calculations, we have shown that graphene-like structure CuS (1L-CuS) is unstable but can be stabilized on a support. Here, however, we demonstrate that the three layered CuS (3L-CuS) with thickness of 0.773 nm (including the atomic radius of the outer plans atoms) is predicted to be intrinsically stable, as confirmed by phonon analysis and Born-Oppenheimer molecular dynamics simulations, with 3L-CuS about 0.15 eV per CuS less stable than the bulk. Interestingly, the electronic band structure shows metallic character with four bands crossing the Fermi level. The nature of chemical bonding is confirmed by a detailed topological analysis of the electron density.

  4. Two-dimensional imaging detectors for structural biology with X-ray lasers.

    Science.gov (United States)

    Denes, Peter

    2014-07-17

    Our ability to harness the advances in microelectronics over the past decade(s) for X-ray detection has resulted in significant improvements in the state of the art. Biology with X-ray free-electron lasers present daunting detector challenges: all of the photons arrive at the same time, and individual high peak power pulses must be read out shot-by-shot. Direct X-ray detection in silicon pixel detectors--monolithic or hybrid--are the standard for XFELs today. For structural biology, improvements are needed for today's 10-100 Hz XFELs, and further improvements are required for tomorrow's 10+ kHz XFELs. This article will discuss detector challenges, why they arise and ways to overcome them, along with the current state of the art. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  5. BASIN STRUCTURE FROM TWO-DIMENSIONAL SEISMIC REFLECTION DATA, CRAZY MOUNTAINS BASIN, MONTANA

    Energy Technology Data Exchange (ETDEWEB)

    David J. Taylor

    2003-08-01

    Some 140 miles of multichannel seismic reflection data, acquired commercially in the 1970's, were reprocessed by the U.S. Geological Survey in late 2000 and early 2001 to interpret the subsurface geology of the Crazy Mountains Basin, an asymmetric Laramide foreland basin located in south-central Montana. The seismic data indicate that the northwestern basin margin is controlled by a thrust fault that places basement rocks over a thick (22,000 feet) sequence of Paleozoic and Mesozoic sedimentary rocks to the south. From the deep basin trough, Paleozoic through Tertiary rocks slope gently upward to the south and southeast. The northern boundary of the basin, which is not imaged well by the seismic data, appears to be folded over a basement ridge rather than being truncated against a fault plane. Seismic data along the basin margin to the south indicate that several fault controlled basement highs may have been created by thin-skinned tectonics where a series of shallow thrust faults cut Precambrian, Paleozoic, and early Mesozoic rocks, whereas, in contrast, Cretaceous and Tertiary strata are folded. The data are further interpreted to indicate that this fault-bounded asymmetric basin contains several structures that possibly could trap hydrocarbons, provided source rocks, reservoirs, and seals are present. In addition, faults in the deep basin trough may have created enough fracturing to enhance porosity, thus developing ''sweet spots'' for hydrocarbons in basin-centered continuous gas accumulations.

  6. Two Dimensional LIF Measurements and Potential Structure of Ion Beam Formation in an Argon Helicon Plasma

    Science.gov (United States)

    Aguirre, Evan; Scime, Earl; Good, Timothy

    2016-10-01

    We report 2-dimensional, spatially resolved observations of ion beam formation in an expanding helicon plasma. Previous studies found that a current free double layer (CFDL) spontaneously arises at low pressure, below 1 mT. We use Laser Induced Fluorescence (LIF), a non-perturbative diagnostic to measure the ion velocity distribution functions (IVDFs) of argon ions both parallel and perpendicular to the background magnetic field. We report ion beam formation as a function of the expansion chamber magnetic field (0-108 G). The ion beam appears peaked in the center of the expansion chamber and decays over a few centimeters radially. We also report the potential structure of the plasma obtained with a planar Langmuir probe. To obtain meaningful Langmuir probe measurements, averages of tens of current-voltage are needed to reduce the effects of large electrostatic fluctuations that arise in plasmas that generate ion beams. We report the dependence of density, electron temperature, and floating potential on radial and axial position in the expansion plume. NSF Award PHYS-1360278.

  7. Structure of growing microtubule ends: two-dimensional sheets close into tubes at variable rates.

    Science.gov (United States)

    Chrétien, D; Fuller, S D; Karsenti, E

    1995-06-01

    Observation of microtubule growth at different rates by cryo-electron microscopy reveals that the ends range from blunt to long, gently curved sheets. The mean sheet length increases with the growth rate while the width of the distributions increases with the extent of assembly. The combination of a concentration dependent growth rate of the tubulin sheet with a variable closure rate of the microtubule cylinder, results in a model in which stochastic fluctuations in sheet length and tubulin conformation confine GTP-tubulins to microtubule ends. We propose that the variability of microtubule growth rate observed by video microscopy (Gildersleeve, R. F., A. R. Cross, K. E. Cullen, A. P. Fagen, and R. C. Williams. 1992. J. Biol. Chem. 267: 7995-8006, and this study) is due to the variation in the rate of cylinder closure. The curvature of the sheets at the end of growing microtubules and the small oligomeric structures observed at the end of disassembling microtubules, indicate that tubulin molecules undergo conformational changes both during assembly and disassembly.

  8. Rationally synthesized two-dimensional polymers.

    Science.gov (United States)

    Colson, John W; Dichtel, William R

    2013-06-01

    Synthetic polymers exhibit diverse and useful properties and influence most aspects of modern life. Many polymerization methods provide linear or branched macromolecules, frequently with outstanding functional-group tolerance and molecular weight control. In contrast, extending polymerization strategies to two-dimensional periodic structures is in its infancy, and successful examples have emerged only recently through molecular framework, surface science and crystal engineering approaches. In this Review, we describe successful 2D polymerization strategies, as well as seminal research that inspired their development. These methods include the synthesis of 2D covalent organic frameworks as layered crystals and thin films, surface-mediated polymerization of polyfunctional monomers, and solid-state topochemical polymerizations. Early application targets of 2D polymers include gas separation and storage, optoelectronic devices and membranes, each of which might benefit from predictable long-range molecular organization inherent to this macromolecular architecture.

  9. Ultrafast Structural Fluctuations of Myoglobin-Bound Thiocyanate and Selenocyanate Ions Measured with Two-Dimensional Infrared Photon Echo Spectroscopy.

    Science.gov (United States)

    Maj, Michał; Kwak, Kyungwon; Cho, Minhaeng

    2015-11-16

    Structural dynamics within the distal cavity of myoglobin protein is investigated using 2D-IR and IR pump-probe spectroscopy of the N≡C stretch modes of heme-bound thiocyanate and selenocyanate ions. Although myoglobin-bound thiocyanate group shows a doublet in its IR absorption spectrum, no cross peaks originating from chemical exchange between the two components are observed in the time-resolved 2D IR spectra within the experimental time window. Frequency-frequency correlation functions of the two studied anionic ligands are obtained by means of a few different analysis approaches; these functions were then used to elucidate the differences in structural fluctuation around ligand, ligand-protein interactions, and the degree of structural heterogeneity within the hydrophobic pocket of these myoglobin complexes.

  10. Band structure of magneto-metallo-dielectric photonic crystals with hybrid one- and two-dimensional periodicity

    Energy Technology Data Exchange (ETDEWEB)

    Reyes-Ayona, E. [Instituto de Fisica, Benemerita Universidad Autonoma de Puebla, Apartado Postal J-48, Puebla 72570 (Mexico); Instituto Nacional de Astrofisica Optica y Electronica, Apartado Postal 51, Puebla 72000 (Mexico); Halevi, P. [Instituto Nacional de Astrofisica Optica y Electronica, Apartado Postal 51, Puebla 72000 (Mexico)

    2012-06-15

    We calculate the band structure of a magneto-metallo-dielectric photonic crystal (PC) with hybrid one- and two-dimensional periodicity. Namely, the permittivity (permeability) is periodic in a plane (single direction). The metallic and magnetic properties are described, respectively, by means of the Drude model and a specific permeability model for Barium-M ferrite. Because of the dispersion of both the permeability and the permittivity, we obtain a non-standard eigenvalue problem which is possible to solve by means of a linearization technique. We found that the first band of this PC is very sensitive to the filling fraction of the magnetic component: by changing this fraction from 0.20 to 0.16 the slope - and effective index of refraction - changes from positive to negative. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Geometrical approach in physical understanding of the Goos-Haenchen shift in one- and two-dimensional periodic structures.

    Science.gov (United States)

    Miri, Mehdi; Naqavi, Ali; Khavasi, Amin; Mehrany, Khashayar; Khorasani, Sina; Rashidian, Bizhan

    2008-12-15

    The Goos-Haenchen shift of a totally reflected beam at the planar interface of two dielectric media, as if the incident beam is reflected from beneath the interface between the incident and transmitted media, has been geometrically associated with the penetration of the incident photons in the less-dense forbidden transmission region. This geometrical approach is here generalized to analytically calculate the Goos-Haenchen shift in one- and two-dimensional periodic structures. Several numerical examples are presented, and the obtained results are successfully tested against the well-known Artman's formula. The proposed approach is shown to be a fast, simple, and efficient method that can provide good physical insight to the nature of the phenomenon.

  12. Divorticity and dihelicity in two-dimensional hydrodynamics

    DEFF Research Database (Denmark)

    Shivamoggi, B.K.; van Heijst, G.J.F.; Juul Rasmussen, Jens

    2010-01-01

    A framework is developed based on the concepts of divorticity B (≡×ω, ω being the vorticity) and dihelicity g (≡vB) for discussing the theoretical structure underlying two-dimensional (2D) hydrodynamics. This formulation leads to the global and Lagrange invariants that could impose significant...

  13. Visualization of Excitonic Structure in the Fenna-Matthews-OlsonPhotosynthetic Complex by Polarization-Dependent Two-DimensionalElectronic Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Department of Chemistry, The University of Chicago; Department of Biology, Department of Chemistry, Washington University; Fleming, Graham; Read, Elizabeth L.; Schlau-Cohen, Gabriela S.; Engel, Gregory S.; Wen, Jianzhong; Blankenship, Robert E.; Fleming, Graham R.

    2008-05-26

    Photosynthetic light-harvesting proceeds by the collection and highly efficient transfer of energy through a network of pigment-protein complexes. Inter-chromophore electronic couplings and interactions between pigments and the surrounding protein determine energy levels of excitonic states and dictate the mechanism of energy flow. The excitonic structure (orientation of excitonic transition dipoles) of pigment-protein complexes is generally deduced indirectly from x-ray crystallography in combination with predictions of transition energies and couplings in the chromophore site basis. Here, we demonstrate that coarse-grained excitonic structural information in the form of projection angles between transition dipole moments can be obtained from polarization-dependent two-dimensional electronic spectroscopy of an isotropic sample, particularly when the nonrephasing or free polarization decay signal rather than the photon echo signal is considered. The method provides an experimental link between atomic and electronic structure and accesses dynamical information with femtosecond time resolution. In an investigation of the Fenna-Matthews-Olson complex from green sulfur bacteria, energy transfer connecting two particular exciton states in the protein is isolated as being the primary contributor to a cross peak in the nonrephasing 2D spectrum at 400 fs under a specific sequence of polarized excitation pulses. The results suggest the possibility of designing experiments using combinations of tailored polarization sequencesto separate and monitor individual relaxation pathways.

  14. Visualization of Excitonic Structure in the Fenna-Matthews-OlsonPhotosynthetic Complex by Polarization-Dependent Two-DimensionalElectronic Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Department of Chemistry, The University of Chicago; Department of Biology, Department of Chemistry, Washington University; Fleming, Graham; Read, Elizabeth L.; Schlau-Cohen, Gabriela S.; Engel, Gregory S.; Wen, Jianzhong; Blankenship, Robert E.; Fleming, Graham R.

    2008-05-26

    Photosynthetic light-harvesting proceeds by the collection and highly efficient transfer of energy through a network of pigment-protein complexes. Inter-chromophore electronic couplings and interactions between pigments and the surrounding protein determine energy levels of excitonic states and dictate the mechanism of energy flow. The excitonic structure (orientation of excitonic transition dipoles) of pigment-protein complexes is generally deduced indirectly from x-ray crystallography in combination with predictions of transition energies and couplings in the chromophore site basis. Here, we demonstrate that coarse-grained excitonic structural information in the form of projection angles between transition dipole moments can be obtained from polarization-dependent two-dimensional electronic spectroscopy of an isotropic sample, particularly when the nonrephasing or free polarization decay signal rather than the photon echo signal is considered. The method provides an experimental link between atomic and electronic structure and accesses dynamical information with femtosecond time resolution. In an investigation of the Fenna-Matthews-Olson complex from green sulfur bacteria, energy transfer connecting two particular exciton states in the protein is isolated as being the primary contributor to a cross peak in the nonrephasing 2D spectrum at 400 fs under a specific sequence of polarized excitation pulses. The results suggest the possibility of designing experiments using combinations of tailored polarization sequencesto separate and monitor individual relaxation pathways.

  15. Assessment of the micro-structure and depletion potentials in two-dimensional binary mixtures of additive hard-disks

    Science.gov (United States)

    Perera-Burgos, Jorge Adrián; Méndez-Alcaraz, José Miguel; Pérez-Ángel, Gabriel; Castañeda-Priego, Ramón

    2016-09-01

    Depletion forces are a particular class of effective interactions that have been mainly investigated in binary mixtures of hard-spheres in bulk. Although there are a few contributions that point toward the effects of confinement on the depletion potential, little is known about such entropic potentials in two-dimensional colloidal systems. From theoretical point of view, the problem resides in the fact that there is no general formulation of depletion forces in arbitrary dimensions and, typically, any approach that works well in three dimensions has to be reformulated for lower dimensionality. However, we have proposed a theoretical framework, based on the formalism of contraction of the description within the integral equations theory of simple liquids, to account for effective interactions in colloidal liquids, whose main feature is that it does not need to be readapted to the problem under consideration. We have also shown that such an approach allows one to determine the depletion pair potential in three-dimensional colloidal mixtures even near to the demixing transition, provided the bridge functions are sufficiently accurate to correctly describe the spatial correlation between colloids [E. López-Sánchez et al., J. Chem. Phys. 139, 104908 (2013)]. We here report an extensive analysis of the structure and the entropic potentials in binary mixtures of additive hard-disks. In particular, we show that the same functional form of the modified-Verlet closure relation used in three dimensions can be straightforwardly employed to obtain an accurate solution for two-dimensional colloidal mixtures in a wide range of packing fractions, molar fractions, and size asymmetries. Our theoretical results are explicitly compared with the ones obtained by means of event-driven molecular dynamics simulations and recent experimental results. Furthermore, to assess the accuracy of our predictions, the depletion potentials are used in an effective one-component model to reproduce

  16. Visualization of Structured Packing with Laser Induced Fluorescence Technique:Two-Dimensional Measurement of Liquid Concentration Distribution

    Institute of Scientific and Technical Information of China (English)

    刘伯潭; 申言同; 张会书; 刘春江; 唐忠利; 袁希钢

    2016-01-01

    A method of using laser induced fluorescence(LIF)technique was applied to two-dimensional meas-urement of the liquid concentration distribution in the 250Y structured packing sheet. The experimental structured packing sheet was made of perspex so that the laser could pass through it. The visualization of the distribution of the liquid concentration in the structured packing sheet was realized. The calibration of the thickness and liquid concentration was carried out firstly and the regression formulaI=kcd was acquired, in which concentrationc and the liquid film thicknessd were both considered. Then the liquid feed of uniform tracer(rhodamine)concentration entered the perspex structured packing from the top under different spraying densities. The corresponding thickness of liquid film on the packing was calculated. Finally, tracer(rhodamine)with a high concentration was injected only at one fixed point of the structured packing under different spraying densities of the liquid. With the known liquid film thickness, the concentration distribution of the tracer can be calculated inside the structured packing sheet.

  17. Predicting Two-Dimensional Silicon Carbide Monolayers.

    Science.gov (United States)

    Shi, Zhiming; Zhang, Zhuhua; Kutana, Alex; Yakobson, Boris I

    2015-10-27

    Intrinsic semimetallicity of graphene and silicene largely limits their applications in functional devices. Mixing carbon and silicon atoms to form two-dimensional (2D) silicon carbide (SixC1-x) sheets is promising to overcome this issue. Using first-principles calculations combined with the cluster expansion method, we perform a comprehensive study on the thermodynamic stability and electronic properties of 2D SixC1-x monolayers with 0 ≤ x ≤ 1. Upon varying the silicon concentration, the 2D SixC1-x presents two distinct structural phases, a homogeneous phase with well dispersed Si (or C) atoms and an in-plane hybrid phase rich in SiC domains. While the in-plane hybrid structure shows uniform semiconducting properties with widely tunable band gap from 0 to 2.87 eV due to quantum confinement effect imposed by the SiC domains, the homogeneous structures can be semiconducting or remain semimetallic depending on a superlattice vector which dictates whether the sublattice symmetry is topologically broken. Moreover, we reveal a universal rule for describing the electronic properties of the homogeneous SixC1-x structures. These findings suggest that the 2D SixC1-x monolayers may present a new "family" of 2D materials, with a rich variety of properties for applications in electronics and optoelectronics.

  18. Structures of quantum 2D electron-hole plasmas

    CERN Document Server

    Filinov, V S; Fehske, H; Levashov, P R; Fortov, V E

    2008-01-01

    We investigate structures of 2D quantum electron-hole (e-h) plasmas by the direct path integral Monte Carlo method (PIMC) in a wide range of temperature, density and hole-to-electron mass ratio. Our simulation includes a region of appearance and decay of the bound states (excitons and biexcitons), the Mott transition from the neutral e-h plasma to metallic-like clusters, formation from clusters the hexatic-like liquid and formation of the crystal-like lattice.

  19. Synthesis, crystal structure, vibrational spectra, optical properties and theoretical investigation of a two-dimensional self-assembled organic-inorganic hybrid material

    Science.gov (United States)

    Dammak, Hajer; Elleuch, Slim; Feki, Habib; Abid, Younes

    2016-11-01

    Organic-inorganic hybrid material of formula (C4H3SC2H4NH3)2[PbI4] was synthesized and studied by X-ray diffraction, Infrared absorption, Raman scattering, UV-Visible absorption and photoluminescence measurements. The molecule crystallizes as an organic-inorganic two-dimensional (2D) structure built up from infinite PbI6 octahedra surrounded by organic cations. Such a structure may be regarded as quantum wells system in which the inorganic layers act as semiconductor wells and the organic cations act as insulator barriers. Room temperature IR and Raman spectra were recorded in the 520-3500 and 10-3500 cm-1 frequency range, respectively. Optical absorption measurements performed on thin films of (C4H3SC2H4NH3)2[PbI4] revealed three distinct bands at 2.4, 2.66 and 3.25 eV. We also report DFT calculations of the electric dipole moments (μ), polarizability (α), the static first hyperpolarizability (β) and HOMO-LUMO analysis of the title compound investigated by GAUSSIAN 09 package. The calculated static first Hyperpolarizability is equal to 11.46 × 10-31 esu.

  20. Efficient Two-Dimensional Direction Finding via Auxiliary-Variable Manifold Separation Technique for Arbitrary Array Structure

    Directory of Open Access Journals (Sweden)

    Guang Hua

    2015-01-01

    Full Text Available A polynomial rooting direction of arrival (DOA algorithm for multiple plane waves incident on an arbitrary array structure that combines the multipolynomial resultants and matrix computations is proposed in this paper. Firstly, a new auxiliary-variable manifold separation technique (AV-MST is used to model the steering vector of arbitrary array structure as the product of a sampling matrix (dependent only on the array structure and two Vandermonde-structured wavefield coefficient vectors (dependent on the wavefield. Then the propagator operator is calculated and used to form a system of bivariate polynomial equations. Finally, the automatically paired azimuth and elevation estimates are derived by polynomial rooting. The presented algorithm employs the concept of auxiliary-variable manifold separation technique which requires no sector by sector array interpolation and thus does not suffer from any mapping errors. In addition, the new algorithm does not need any eigenvalue decomposition of the covariance matrix and exhausted search over the two-dimensional parameter space. Moreover, the algorithm gives automatically paired estimates, thus avoiding the complex pairing procedure. Therefore, the proposed algorithm shows low computational complexity and high robustness performance. Simulation results are shown to validate the effectiveness of the proposed method.

  1. Heavily-doped 2D-quantized structures and the Einstein relation

    CERN Document Server

    Ghatak, Kamakhya P

    2015-01-01

    This book presents the Einstein Relation(ER) in two-dimensional (2-D) Heavily Doped(HD) Quantized Structures. The materials considered are quantized structures of HD non-linear optical, III-V, II-VI, Ge, Te, Platinum Antimonide, stressed materials, GaP, Gallium Antimonide, II-V, Bismuth Telluride together with various types of HD superlattices and their Quantized counterparts respectively. The ER in HD opto-electronic materials and their nanostructures is studied in the presence of strong light waves and intense electric fields on the basis of newly formulated electron dispersion laws that control the studies of such quantum effect devices. The suggestion for the experimental determination of HD 2D and 3D ERs and the importance of measurement of band gap in HD optoelectronic materials under intense built-in electric field in nanodevices and strong external photo excitation (for measuring photon induced physical properties) are also discussed in this context. The influence of crossed electric and quantizing ma...

  2. Two-Dimensional Planetary Surface Lander

    Science.gov (United States)

    Hemmati, H.; Sengupta, A.; Castillo, J.; McElrath, T.; Roberts, T.; Willis, P.

    2014-06-01

    A systems engineering study was conducted to leverage a new two-dimensional (2D) lander concept with a low per unit cost to enable scientific study at multiple locations with a single entry system as the delivery vehicle.

  3. Real-space and plane-wave hybrid method for electronic structure calculations for two-dimensional materials

    Science.gov (United States)

    Do, V. Nam; Le, H. Anh; Vu, V. Thieu

    2017-04-01

    We propose a computational approach to combining the plane-wave method and the real-space treatment to describe the periodic variation in the material plane and the decay of wave functions from the material surfaces. The proposed approach is natural for two-dimensional material systems and thus may circumvent some intrinsic limitations involving the artificial replication of material layers in traditional supercell methods. In particular, we show that the proposed method is easy to implement and, especially, computationally effective since low-cost computational algorithms, such as iterative and recursive techniques, can be used to treat matrices with block tridiagonal structure. Using this approach we show first-principles features that supplement the current knowledge of some fundamental issues in bilayer graphene systems, including the coupling between the two graphene layers, the preservation of the σ band of monolayer graphene in the electronic structure of the bilayer system, and the differences in low-energy band structure between the AA- and AB-stacked configurations.

  4. Magnetic and Structural Studies on Two-Dimensional Antiferromagnets (MCl)LaNb2O7 (M = Mn, Co, Cr)

    Science.gov (United States)

    Kitada, Atsushi; Tsujimoto, Yoshihiro; Nishi, Masakazu; Matsuo, Akira; Kindo, Koichi; Ueda, Yutaka; Ajiro, Yoshitami; Kageyama, Hiroshi

    2016-03-01

    We report magnetic and structural studies on the two-dimensional antiferromagnets (MCl)LaNb2O7 (M = Mn, Cr, Co), prepared by topochemical reactions of a layered perovskite RbLaNb2O7. Electron diffraction of these oxyhalides revealed a superstructure with a √{2}a × √{2}a cell for M = Mn and Co, and a 2a × 2a cell for M = Cr, indicating that the MCl networks are distorted from an ideal square lattice. Neutron diffraction experiments showed that M = Mn and Co exhibit a (π 0 π ) antiferromagnetic order as observed for the S = 1/2 counterparts. (CoCl)LaNb2O7 with a strong spin anisotropy shows an antiferro to weak-ferromagnetic transition at low field, followed by novel two-step metamagnetic transitions likely associated with a 1/2 plateau for 27-54 T. Possible spin structures under magnetic field are discussed in terms of an Ising-type model. By contrast, (CrCl)LaNb2O7 exhibits a (π π π ) order, which is the first observation among related oxyhalides, and a spin-flop transition at 12 T due to a weak spin anisotropy. These results suggest that a slight difference in the MCl structure and spin anisotropy provides a crucial influence on the magnetic properties.

  5. Two-dimensional magnetotelluric model of deep resistivity structure in the Bodie-Aurora district of California

    Science.gov (United States)

    Sampson, Jay A.

    2006-01-01

    Introduction: Magnetotelluric data were acquired during October 2001 by the U.S. Geological Survey (USGS) as part of a study to examine the structural nature of basins in the transition zone between the Sierra Nevada Mountains of California and the Basin and Range province of Nevada. Magnetotelluric (MT) geophysical studies assist the mapping of geologic structure and the inference of lithologic packages that are concealed beneath the Earth's surface. The Basin and Range province has a complicated geologic history, which includes extension and compression of the Earth's crust to form the basins and ranges that blanket much of Nevada. The basins and ranges in the vicinity of this study trend northeastward and are bounded by steeply dipping strike slip faults. Interestingly, deep east-west magnetic trends occur in the aeromagnetic data of this study area indicating that the northeast-trending basins and ranges represent only thin-skinned deformation at the surface with an underlying east-west structure. To investigate this issue, MT data were acquired at seven stations in eastern California, 20 km east of Mono Lake. The purpose of this report is to present a two-dimensional apparent resistivity model of the MT data acquired for this study.

  6. FACE RECOGNITION USING TWO DIMENSIONAL LAPLACIAN EIGENMAP

    Institute of Scientific and Technical Information of China (English)

    Chen Jiangfeng; Yuan Baozong; Pei Bingnan

    2008-01-01

    Recently,some research efforts have shown that face images possibly reside on a nonlinear sub-manifold. Though Laplacianfaces method considered the manifold structures of the face images,it has limits to solve face recognition problem. This paper proposes a new feature extraction method,Two Dimensional Laplacian EigenMap (2DLEM),which especially considers the manifold structures of the face images,and extracts the proper features from face image matrix directly by using a linear transformation. As opposed to Laplacianfaces,2DLEM extracts features directly from 2D images without a vectorization preprocessing. To test 2DLEM and evaluate its performance,a series of ex-periments are performed on the ORL database and the Yale database. Moreover,several experiments are performed to compare the performance of three 2D methods. The experiments show that 2DLEM achieves the best performance.

  7. Integral field optical spectroscopy of a representative sample of ULIRGs: II. Two-dimensional kpc-scale extinction structure

    CERN Document Server

    García-Marín, M; Arribas, S

    2009-01-01

    We investigate the two-dimensional kpc-scale structure of the extinction in a representative sample of local ULIRGs using the Halpha/Hbeta line ratio.We use optical integral field spectroscopy obtained with the INTEGRAL instrument at the William Herschel Telescope. Complementary optical and near-IR high angular resolution HST images have also been used. The extinction exhibits a very complex and patchy structure in ULIRGs on kpc scales, from basically transparent regions to others deeply embedded in dust (Av~0.0 to Av~8.0 mag). Nuclear extinction covers a broad range in Av from 0.6 to 6 mag, 69% of the nuclei having Av>2.0 mag. Extinction in the external regions is substantially lower than in the nuclei with 64% of the ULIRGs in the sample having median Av of less than 2 mag for the entire galaxy. While post-coalescence nuclei tend to cluster around Av values of 2 to 3 mag, pre-coalescence nuclei appear more homogeneously distributed over the entire 0.4 mag

  8. Crystal Structure and Magnetic Property of a Two-dimensional Manganese Compound [Mn(PhCOO)2(4,4'-bipyridine)]n

    Institute of Scientific and Technical Information of China (English)

    CHEN Hui; WANG Wen-Guo; MA Cheng-Bing; CHEN Chang-Neng; LIU Qiu-Tian; LIAO Dai-Zheng; LI Li-Cun

    2007-01-01

    A new two-dimensional polymeric manganese compound [Mn(PhCOO)2(4,4'-bipyridine)]n 1 has been prepared and structurally characterized by X-ray diffraction. The complex crystallizes in space group Pbcn with a = 18.7158(2), b = 11.6919(3), c = 9.4799(2)(A), V = 2074.42(7)(A)3, Z = 4, Mr = 453.34, Dc = 1.452 g/cm3, μ = 0.670 mm-1 and F(000) = 932. The final refinement gave R = 0.0458 and wR = 0.1439 for 1358 observed reflections with Ⅰ> 2σ(Ⅰ). The complex consists of repeating units of Mn(PhCOO)2(4,4'-bipyridine). Each Mn center is sixcoordinated by four carboxylate O atoms of four benzoate anions and two pyridyl N atoms from bipy ligands to furnish a slightly distorted octahedral geometry. The two adjacent Mn atoms are connected by a pair of μ1,3-carboxylate groups to form infinite chains, which are further interlinked by bipy to complete a 2D grid network. The magnetic property of the polymeric complex has also been investigated.

  9. Global Structure of Three Distinct Accretion Flows and Outflows around Black Holes through Two-Dimensional Radiation-Magnetohydrodynamic Simulations

    CERN Document Server

    Ohsuga, Ken

    2011-01-01

    We present the detailed global structure of black hole accretion flows and outflows through newly performed two-dimensional radiation-magnetohydrodynamic simulations. By starting from a torus threaded with weak toroidal magnetic fields and by controlling the central density of the initial torus, rho_0, we can reproduce three distinct modes of accretion flow. In model A with the highest central density, an optically and geometrically thick supercritical accretion disk is created. The radiation force greatly exceeds the gravity above the disk surface, thereby driving a strong outflow (or jet). Because of the mild beaming, the apparent (isotropic) photon luminosity is ~22L_E (where L_E is the Eddington luminosity) in the face-on view. Even higher apparent luminosity is feasible if we increase the flow density. In model B with a moderate density, radiative cooling of the accretion flow is so efficient that a standard-type, cold, and geometrically thin disk is formed at radii greater than ~7R_S (where R_S is the S...

  10. Impact of Radii Ratios on a Two-Dimensional Cloaking Structure and Corresponding Analysis for Practical Design at Optical Wavelengths

    Directory of Open Access Journals (Sweden)

    Nadia Anam

    2017-01-01

    Full Text Available This work is an extension to the evaluation and analysis of a two-dimensional cylindrical cloak in the Terahertz or visible range spectrum using Finite Difference Time-Domain (FDTD method. It was concluded that it is possible to expand the frequency range of a cylindrical cloaking model by careful scaling of the inner and outer radius of the simulation geometry with respect to cell size and/or number of time steps in the simulation grid while maintaining appropriate stability conditions. Analysis in this study is based on a change in the radii ratio, that is, outer radius to inner radius, of the cloaking structure for an array of wavelengths in the visible spectrum. Corresponding outputs show inconsistency in the cloaking pattern with respect to frequency. The inconsistency is further increased as the radii ratio is decreased. The results also help to establish a linear relationship between the transmission coefficient and the real component of refractive index with respect to different radii ratios which may simplify the selection of the material for practical design purposes. Additional performance analysis is carried out such that the dimensions of the cloak are held constant at an average value and the frequency varied to determine how a cloaked object may be perceived by the human eye which considers different wavelengths to be superimposed on each other simultaneously.

  11. Investigation of polarization-selective InGaAs sensor with elliptical two-dimensional holes array structure

    Science.gov (United States)

    Wang, Wenbo; Fu, Dong; Hu, Xiaobin; Xu, Yun; Song, Guofeng; Wei, Xin

    2016-10-01

    Polarimetric imaging in infrared wavelengths have attracted more and more attention for broad applications in meteorological observations, medicine, remote sensing and many other fields. Metal metamaterial structures are used in nanophotonics in order to localize and enhance the incident electromagnetic field. Here we develop an elliptical gold Two-Dimensional Holes Array (2DHA) in which photons can be manipulated by surface plasmon resonance, and the ellipse introduce the asymmetry to realize a polarization selective function. Strong polarization dependence is observed in the simulated transmission spectra. To further understand the coupling mechanism between gold holes array and InP, the different parameters of the 2DHA are analyzed. It is shown that the polarization axis is perpendicular to the major axis of the ellipse, and the degree of polarization is determined by the aspect ratio of the ellipse. Furthermore, the resonance frequency of the 2DHA shows a linear dependence on the array period, the bandwidth of transmission spectra closely related to duty cycle of the ellipse in each period. This result will establish a basis for the development of innovative polarization selective infrared sensor.

  12. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing.

    Science.gov (United States)

    Velagapudi, Sai Pradeep; Disney, Matthew D

    2013-10-15

    RNA is an extremely important target for the development of chemical probes of function or small molecule therapeutics. Aminoglycosides are the most well studied class of small molecules to target RNA. However, the RNA motifs outside of the bacterial rRNA A-site that are likely to be bound by these compounds in biological systems is largely unknown. If such information were known, it could allow for aminoglycosides to be exploited to target other RNAs and, in addition, could provide invaluable insights into potential bystander targets of these clinically used drugs. We utilized two-dimensional combinatorial screening (2DCS), a library-versus-library screening approach, to select the motifs displayed in a 3×3 nucleotide internal loop library and in a 6-nucleotide hairpin library that bind with high affinity and selectivity to six aminoglycoside derivatives. The selected RNA motifs were then analyzed using structure-activity relationships through sequencing (StARTS), a statistical approach that defines the privileged RNA motif space that binds a small molecule. StARTS allowed for the facile annotation of the selected RNA motif-aminoglycoside interactions in terms of affinity and selectivity. The interactions selected by 2DCS generally have nanomolar affinities, which is higher affinity than the binding of aminoglycosides to a mimic of their therapeutic target, the bacterial rRNA A-site.

  13. Magnetic breakdown phenomenon in quasi-two-dimensional organic conductors: A quantum model inspired by a realistic band structure

    Science.gov (United States)

    Kim, Ju H.; Han, S. Y.; Brooks, J. S.

    1999-08-01

    We investigate the phenomenon of magnetic breakdown in quasi-two-dimensional organic conductors such as α-(ET)2KHg(SCN)4 and κ-(ET)2Cu(NCS)2 by constructing a tight-binding model based on a realistic band structure which is derived from the crystallographic data. We solve the model numerically to compute the magnetic field dependence of the magnetization and show that the present model accounts naturally for the experimentally observed magnetization oscillation frequencies that are forbidden in the semiclassical picture. The computed values of the fundamental and magnetic breakdown frequencies with no adjustable parameters are close to the experimentally measured values. For completeness, we carry out the computation for both canonical (fixed number of particles) and grand canonical (fixed chemical potential) ensembles, and show that the forbidden frequencies appear in both cases. Hence, the appearance of anomalous frequencies in the de Haas-van Alphen effect has a quantum-mechanical origin and arises from the interplay of electronic states from two partially occupied bands near the Fermi energy as a function of magnetic field. We also compute the temperature dependence of the magnetization and apply ad hoc the Lifshitz-Kosevich analysis to the amplitudes of the Fourier components at moderately high temperatures. This yields effective mass values for α-(ET)2KHg(SCN)4 in good agreement with experimental values.

  14. Assembling carbon fiber-graphene-carbon fiber hetero-structures into 1D-2D-1D junction fillers and patterned structures for improved microwave absorption

    Science.gov (United States)

    Li, Huimin; Liu, Lin; Li, Hai-Bing; Song, Wei-Li; Bian, Xing-Ming; Zhao, Quan-Liang; Chen, Mingji; Yuan, Xujin; Chen, Haosen; Fang, Daining

    2017-04-01

    Since carbon-based structures of various dimensions, including one-dimensional (1D) carbon nanotubes, two-dimensional (2D) graphene and three-dimensional (3D) carbon foams, have attracted significant attention as microwave absorption fillers, we present an exceptional hetero-junction filler with a 1D-2D-1D feature, achieved by manipulating 2D graphene into 1D carbon fibers in the fiber-extruding process under the electric field. The as-fabricated 1D-2D-1D structural fillers exhibited much-improved dielectric properties and promoted microwave absorption performance in their composites, which is linked to the establishment of enhanced polarization capability, the generation of increased electric loss pathway and the creation of more favorable electromagnetic energy consumption conditions. The results suggest that employing 2D graphene in the 1D-2D-1D nanostructures played the critical role in tuning the electromagnetic response ability, because of its intrinsic electric advantages and dimensional features. To broaden the effective absorption bandwidth, periodic pattern-absorbing structures were designed, which showed combined absorption advantages for various thicknesses. Our strategy for fabricating 1D-2D-1D structural fillers illuminates a universal approach for manipulating dimensions and structures in the nanotechnology.

  15. Vibrational Properties of a Two-Dimensional Silica Kagome Lattice.

    Science.gov (United States)

    Björkman, Torbjörn; Skakalova, Viera; Kurasch, Simon; Kaiser, Ute; Meyer, Jannik C; Smet, Jurgen H; Krasheninnikov, Arkady V

    2016-12-27

    Kagome lattices are structures possessing fascinating magnetic and vibrational properties, but in spite of a large body of theoretical work, experimental realizations and investigations of their dynamics are scarce. Using a combination of Raman spectroscopy and density functional theory calculations, we study the vibrational properties of two-dimensional silica (2D-SiO2), which has a kagome lattice structure. We identify the signatures of crystalline and amorphous 2D-SiO2 structures in Raman spectra and show that, at finite temperatures, the stability of 2D-SiO2 lattice is strongly influenced by phonon-phonon interaction. Our results not only provide insights into the vibrational properties of 2D-SiO2 and kagome lattices in general but also suggest a quick nondestructive method to detect 2D-SiO2.

  16. Two-dimensional cubic convolution.

    Science.gov (United States)

    Reichenbach, Stephen E; Geng, Frank

    2003-01-01

    The paper develops two-dimensional (2D), nonseparable, piecewise cubic convolution (PCC) for image interpolation. Traditionally, PCC has been implemented based on a one-dimensional (1D) derivation with a separable generalization to two dimensions. However, typical scenes and imaging systems are not separable, so the traditional approach is suboptimal. We develop a closed-form derivation for a two-parameter, 2D PCC kernel with support [-2,2] x [-2,2] that is constrained for continuity, smoothness, symmetry, and flat-field response. Our analyses, using several image models, including Markov random fields, demonstrate that the 2D PCC yields small improvements in interpolation fidelity over the traditional, separable approach. The constraints on the derivation can be relaxed to provide greater flexibility and performance.

  17. Metal Decoration Effects on the Gas-Sensing Properties of 2D Hybrid-Structures on Flexible Substrates

    Directory of Open Access Journals (Sweden)

    Byungjin Cho

    2015-09-01

    Full Text Available We have investigated the effects of metal decoration on the gas-sensing properties of a device with two-dimensional (2D molybdenum disulfide (MoS2 flake channels and graphene electrodes. The 2D hybrid-structure device sensitively detected NO2 gas molecules (>1.2 ppm as well as NH3 (>10 ppm. Metal nanoparticles (NPs could tune the electronic properties of the 2D graphene/MoS2 device, increasing sensitivity to a specific gas molecule. For instance, palladium NPs accumulate hole carriers of graphene/MoS2, electronically sensitizing NH3 gas molecules. Contrarily, aluminum NPs deplete hole carriers, enhancing NO2 sensitivity. The synergistic combination of metal NPs and 2D hybrid layers could be also applied to a flexible gas sensor. There was no serious degradation in the sensing performance of metal-decorated MoS2 flexible devices before/after 5000 bending cycles. Thus, highly sensitive and endurable gas sensor could be achieved through the metal-decorated 2D hybrid-structure, offering a useful route to wearable electronic sensing platforms.

  18. Metal Decoration Effects on the Gas-Sensing Properties of 2D Hybrid-Structures on Flexible Substrates.

    Science.gov (United States)

    Cho, Byungjin; Yoon, Jongwon; Lim, Sung Kwan; Kim, Ah Ra; Choi, Sun-Young; Kim, Dong-Ho; Lee, Kyu Hwan; Lee, Byoung Hun; Ko, Heung Cho; Hahm, Myung Gwan

    2015-09-25

    We have investigated the effects of metal decoration on the gas-sensing properties of a device with two-dimensional (2D) molybdenum disulfide (MoS₂) flake channels and graphene electrodes. The 2D hybrid-structure device sensitively detected NO₂ gas molecules (>1.2 ppm) as well as NH₃ (>10 ppm). Metal nanoparticles (NPs) could tune the electronic properties of the 2D graphene/MoS₂ device, increasing sensitivity to a specific gas molecule. For instance, palladium NPs accumulate hole carriers of graphene/MoS₂, electronically sensitizing NH₃ gas molecules. Contrarily, aluminum NPs deplete hole carriers, enhancing NO₂ sensitivity. The synergistic combination of metal NPs and 2D hybrid layers could be also applied to a flexible gas sensor. There was no serious degradation in the sensing performance of metal-decorated MoS₂ flexible devices before/after 5000 bending cycles. Thus, highly sensitive and endurable gas sensor could be achieved through the metal-decorated 2D hybrid-structure, offering a useful route to wearable electronic sensing platforms.

  19. Two-dimensional function photonic crystals

    CERN Document Server

    Wu, Xiang-Yao; Liu, Xiao-Jing; Liang, Yu

    2016-01-01

    In this paper, we have firstly proposed two-dimensional function photonic crystals, which the dielectric constants of medium columns are the functions of space coordinates $\\vec{r}$, it is different from the two-dimensional conventional photonic crystals constituting by the medium columns of dielectric constants are constants. We find the band gaps of two-dimensional function photonic crystals are different from the two-dimensional conventional photonic crystals, and when the functions form of dielectric constants are different, the band gaps structure should be changed, which can be designed into the appropriate band gaps structures by the two-dimensional function photonic crystals.

  20. Turbulent pair separation due to multi scale stagnation point structure and its time asymmetry in two-dimensional turbulence

    OpenAIRE

    Faber, Tristan; Vassilicos, J. C.

    2008-01-01

    The pair separation model of Goto and Vassilicos (S Goto and J C Vassilicos, 2004, New J.Phys., 6, p.65) is revisited and placed on a sound mathematical foundation. A DNS of two dimensional homogeneous isotropic turbulence with an inverse energy cascade and a k^{-5/3} power law is used to investigate properties of pair separation in two dimensional turbulence. A special focus lies on the time asymmetry observed between forward and backward separation. Application of the present model to this ...

  1. Two-dimensional subwavelength plasmonic lattice solitons

    CERN Document Server

    Ye, F; Hu, B; Panoiu, N C

    2010-01-01

    We present a theoretical study of plasmonic lattice solitons (PLSs) formed in two-dimensional (2D) arrays of metallic nanowires embedded into a nonlinear medium with Kerr nonlinearity. We analyze two classes of 2D PLSs families, namely, fundamental and vortical PLSs in both focusing and defocusing media. Their existence, stability, and subwavelength spatial confinement are studied in detai

  2. Structure and Interaction in 2D Assemblies of Tobacco Mosaic Viruses

    Energy Technology Data Exchange (ETDEWEB)

    Fukuto, M.; Yang, L.; Wang, S.; Fukuto, M.; Checco, A.; Niu, Z.; Wang, Q.

    2009-12-07

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca{sup 2+} ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  3. Structure and interaction in 2D assemblies of tobacco mosaic viruses

    Energy Technology Data Exchange (ETDEWEB)

    Yang, L.; Wang. S.; Masafumi, F.; Checco, A.; Zhongwei, N.; Wang, Q.

    2009-08-27

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca2+ ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  4. Two-dimensional coupled electron-hole layers in high magnetic fields

    NARCIS (Netherlands)

    Parlangeli, Andrea

    2000-01-01

    In solids, it is nowadays possible to create structures in which electrons are confined into a two-dimensional (2D) plane. The physics of a 2D electron gas (2DEG) has proved to be very rich, in particular in the presence of a transverse magnetic field. The Quantum Hall Effect, i.e. the quantization

  5. Two-Dimensional Hydrous Silica : Nanosheets and Nanotubes Predicted from First-Principles Simulations

    NARCIS (Netherlands)

    Fang, Changming; Van Blaaderen, Alfons; Van Huis, Marijn A.

    2015-01-01

    Two-dimensional (2D) hydrous silica sheets (HSSs) and hydrous silica nanotubes (HSNTs) have many unique properties and potential applications. Although preparation of 2D HSSs was patented already about half a century ago, very little is known about their structure and physical properties. He we pred

  6. On the large-scale structure and spectral dynamics of two-dimensional turbulence in a periodic channel

    NARCIS (Netherlands)

    Kramer, W.; Clercx, H.J.H.; van Heijst, G.J.F.

    2008-01-01

    This paper reports on a numerical study of forced two-dimensional turbulence in a periodic channel with flat no-slip walls. Since corners or curved domain boundaries, which are met in the standard rectangular, square, or circular geometries, are absent in this geometry, the (statistical) analysis of

  7. One and Two-dimensional Structures of a New Oxamido Copper(Ⅱ) Complex with Phthalato Bridged

    Institute of Scientific and Technical Information of China (English)

    CHEN Jing; JIANG Zong-Hui; LIAO Dai-Zheng; YAN Shi-Ping

    2005-01-01

    A new o-phthalato-bridged oxamide copper(Ⅱ) complex 1, {[Cu2(oxap)](pht)4H2O}n (oxap = N, N'-bis(2-aminopropyl)oxamide, pht = phthalate dianion), has been prepared and structurally characterized. It crystallizes in monoclinic, space group C2/c with a = 23.424(4), b = 7.9696(14), c = 15.727(3) (A), β = 129.617(2)°, C16H28Cu2N4O10, Mr = 563.50, V = 2261.6(7) (A)3, Z = 4, Dc = 1.655 g/cm3,μ(MoKα) = 1.939 mm 1, F(000) = 1160, the final R = 0.0393 and wR = 0.0928 for 1707 observed reflections with I > 2σ(Ⅰ). Single-crystal X-ray analysis reveals that 1 displays a one-dimensional zigzag chain structure, in which each Cu(oxap) moiety adopting trans-conformation is connected by μ1,6-phthalate anion bridges, and these zigzag chains are further linked by anotherμ1,6-phthalate anion bridge to form a 2D sheet structure. The polar guest water molecules reside in the inter- and intrasheets to stabilize the whole crystal structure.

  8. Seismic response of the geologic structure underlying the Roman Colosseum and a 2-D resonance of a sediment valley

    Directory of Open Access Journals (Sweden)

    P. Labak

    1995-06-01

    Full Text Available The seismic response of the geologic structure beneath the Colosseum is investigated using a two-dimensional modeling for a vertically incident plane SH wave. Computations indicate that the southern part of the Colosseum may be exposed to a seismic ground motion with significantly larger amplitudes, differential motion and longer duration than the northern part. because the southern part of the Colosseum is underlain by a sedimentfilled valley created by sedimentary filling of the former tributary of the River Tiber. A 2-D resonance may develop in the valley. Unlike the previous theoretical studies on 2-D resonance in sediment-filled valleys, an effect of heterogeneous valley surroundings on the resonance is partly investigated. A very small sensitivity of the maximum spectral amplifications connected with the fundamental and first higher modes to the presence of a horizontal surface layer (with an intermediate velocity in the valley surroundings is observed in the studied models.

  9. Local doping of two-dimensional materials

    Science.gov (United States)

    Wong, Dillon; Velasco, Jr, Jairo; Ju, Long; Kahn, Salman; Lee, Juwon; Germany, Chad E.; Zettl, Alexander K.; Wang, Feng; Crommie, Michael F.

    2016-09-20

    This disclosure provides systems, methods, and apparatus related to locally doping two-dimensional (2D) materials. In one aspect, an assembly including a substrate, a first insulator disposed on the substrate, a second insulator disposed on the first insulator, and a 2D material disposed on the second insulator is formed. A first voltage is applied between the 2D material and the substrate. With the first voltage applied between the 2D material and the substrate, a second voltage is applied between the 2D material and a probe positioned proximate the 2D material. The second voltage between the 2D material and the probe is removed. The first voltage between the 2D material and the substrate is removed. A portion of the 2D material proximate the probe when the second voltage was applied has a different electron density compared to a remainder of the 2D material.

  10. Optimization of hybrid organic-inorganic interdigitated photovoltaic device structure using a 2D diffusion model.

    Science.gov (United States)

    Krali, Emiljana; Curry, Richard J

    2011-04-26

    To improve the efficiency of organic photovoltaic devices the inclusion of semiconducting nanoparticles such as PbS has been used to enhance near-infrared absorption. Additionally the use of interdigitated heterojunctions has been explored as a means of improving charge extraction. In this paper we provide a two-dimensional model taking into account these approaches with the aim of predicting an optimized device geometry to maximize the efficiency. The steady-state exciton population has been calculated in each of the active regions taking into account the full optical response based on using a finite difference approach to obtain approximate numerical solutions to the 2D exciton diffusion equation. On the basis of this we calculate the contribution of each active material to the device short circuit current and power conversion efficiency. We show that optimized structures can lead to power conversions efficiencies of ∼50% compared to a maximum of ∼17% for planar heterojunction devices. To achieve this the interdigitated region thickness should be ∼800 nm with PbS and C(60) widths of ∼60 and 20 nm, respectively. Even modest nanopatterning using much thinner active regions provides improvements in efficiency and may be approached using a variety of methods including nanoimprinting lithography, nanotemplating, or the incorporation of presynthesized nanorod structures.

  11. The structures and properties of the new two-dimensional inorganic–organic hybrid materials based on the molybdate chains

    Energy Technology Data Exchange (ETDEWEB)

    Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan, E-mail: huangrd@bit.edu.cn

    2014-09-15

    A series of inorganic organic hybrid materials based on polyoxometalates(POMs), namely, [M{sup II}(HL){sub 2}(H{sub 2}O){sub 2}][Mo{sup VI}{sub 6}O{sub 20}] [M=Co (1), Ni (2), Cu (3), Zn (4)], [Mn{sup IV}L{sub 2}(H{sub 2}O){sub 2}][Mo{sup VI}{sub 6}O{sub 20}] (5), and (HL){sub 3}PMO{sub 12}O{sub 40} (6) [L=3-(4-pyridyl)pyrazole], have been synthesized. The compounds have been characterized by elemental analysis, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. The results from single-crystal X-ray diffraction indicate that 1–5 are isostructural. It is worth noting that the polyanions are bridged by Mo–O–Mo to form 1D inorganic chains, which are further connected via M ions to form 2D nets. In compound 6, the ligands are used as the positive ions to balance the charge of the compound. Moreover, the magnetic properties of compound 5 have also been investigated in detail. - Graphical abstract: In complex 1, The Co ion is six coordinated by four oxygen atoms from two Mo{sub 6}O{sub 20} and two water molecules, and two N atoms from two different ligand. It is noticeable that there is an one-dimensional chain molybdate, which is combined by O–Mo–O, then the chain parallel with each other, the Mo{sub 6} anion acts as a bidentate ligand providing O7 atoms to bridge CoII ions to form a 2D inorganic layer. Finally every nets become 3D structure by hydrogen bond. - Highlights: • Novel inorganic–organic hybrid materials have been prepared. • Compounds 1–5 contain the 1D molybdate chains composed of (MoO{sub 6}) octahedra. • The 1D chains parallel with each other to form a 2D inorganic layer.

  12. Absolute band gaps in two-dimensional graphite photonic crystal

    Institute of Scientific and Technical Information of China (English)

    Gaoxin Qiu(仇高新); Fanglei Lin(林芳蕾); Hua Wang(王华); Yongping Li(李永平)

    2003-01-01

    The off-plane propagation of electromagnetic (EM) waves in a two-dimensional (2D) graphite photoniccrystal structure was studied using transfer matrix method. Transmission spectra calculations indicatethat such a 2D structure has a common band gap from 0.202 to 0.2035 c/a for both H and E polarizationsand for all off-plane angles form 0° up to 90°. The presence of such an absolute band gap implies that 2Dgraphite photonic crystal, which is much easier and more feasible to fabricate, can exhibit some propertiesof a three-dimensional (3D) photonic crystal.

  13. Emergent elemental two-dimensional materials beyond graphene

    Science.gov (United States)

    Zhang, Yuanbo; Rubio, Angel; Le Lay, Guy

    2017-02-01

    Two-dimensional (2D) materials may offer the ultimate scaling beyond the 5 nm gate length. The difficulty of reliably opening a band gap in graphene has led to the search for alternative, semiconducting 2D materials. Emerging classes of elemental 2D materials stand out for their compatibility with existing technologies and/or for their diverse, tunable electronic structures. Among this group, black phosphorene has recently shown superior semiconductor performances. Silicene and germanene feature Dirac-type band dispersions, much like graphene. Calculations show that most group IV and group V elements have one or more stable 2D allotropes, with properties potentially suitable for electronic and optoelectronic applications. Here, we review the advances in these fascinating elemental 2D materials and discuss progress and challenges in their applications in future opto- and nano-electronic devices.

  14. Computationally Driven Two-Dimensional Materials Design: What Is Next?

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Jie [Materials Science; Lany, Stephan [Materials Science; Qi, Yue [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824, United States

    2017-07-17

    Two-dimensional (2D) materials offer many key advantages to innovative applications, such as spintronics and quantum information processing. Theoretical computations have accelerated 2D materials design. In this issue of ACS Nano, Kumar et al. report that ferromagnetism can be achieved in functionalized nitride MXene based on first-principles calculations. Their computational results shed light on a potentially vast group of materials for the realization of 2D magnets. In this Perspective, we briefly summarize the promising properties of 2D materials and the role theory has played in predicting these properties. In addition, we discuss challenges and opportunities to boost the power of computation for the prediction of the 'structure-property-process (synthesizability)' relationship of 2D materials.

  15. Coherent phenomena in terahertz 2D plasmonic structures: strong coupling, plasmonic crystals, and induced transparency by coupling of localized modes

    CERN Document Server

    Dyer, Gregory C; Allen, S James; Grine, Albert D; Bethke, Don; Reno, John L; Shaner, Eric A

    2016-01-01

    The device applications of plasmonic systems such as graphene and two dimensional electron gases (2DEGs) in III-V heterostructures include terahertz detectors, mixers, oscillators and modulators. These two dimensional (2D) plasmonic systems are not only well-suited for device integration, but also enable the broad tunability of underdamped plasma excitations via an applied electric field. We present demonstrations of the coherent coupling of multiple voltage tuned GaAs/AlGaAs 2D plasmonic resonators under terahertz irradiation. By utilizing a plasmonic homodyne mixing mechanism to downconvert the near field of plasma waves to a DC signal, we directly detect the spectrum of coupled plasmonic micro-resonator structures at cryogenic temperatures. The 2DEG in the studied devices can be interpreted as a plasmonic waveguide where multiple gate terminals control the 2DEG kinetic inductance. When the gate tuning of the 2DEG is spatially periodic, a one-dimensional finite plasmonic crystal forms. This results in a sub...

  16. Development and testing of a two-dimensional ultrasonic laboratory model system for seismic imaging of heterogeneous structures

    Science.gov (United States)

    Mo, Yike; Karaman, Hakki; Greenhalgh, Stewart

    2014-05-01

    To tackle the challenges and imaging problems of complex structures, we have recently assembled within the Wave Propagation Lab at ETH Zürich a simple 2D ultrasonic model facility in which the simulated geological structures are constructed from thin (2 mm thickness) metal and plastic sheets, cut and bonded together. The models were used, in full recognition of the similitude relations, to investigate reflections from beneath a low velocity distorting overburden. Besides uniform and irregular near surface layers, flat and dipping interfaces as well as rectangular high and low velocity block inserts were investigated. The experiments entailed the use of a piezoelectric source driven by a pulse amplifier at ultrasonic frequencies (20-300 kHz) to generate Lamb waves in the plate, which are detected by piezoelectric receivers and recorded digitally on a National Instruments recording system, under SignalExpress software control. In the lab system, a single cycle sinusoidal pulse with a negative onset (5 μs pulse width and 600 V pulse voltage) was selected as the optimized source pulse. Transducers can be placed along the thin edges of the plate in reflection mode (same edge) or transmission mode (opposite edges, or perpendicular edges). Alternatively they can be mounted on the flat planar surface of the plate to simulate a crosshole survey. Data were originally collected in all different recording geometries over a homogenous aluminium model for calibration purposes and to examine wave modes and propagation characteristics. The two dominant Lamb waves recorded are the fundamental symmetric mode (non-dispersive) and the fundamental antisymmetric (flexural) dispersive mode, which is normally absent when the source transducer is located on a model edge but dominant when it is on the flat planar surface of the plate. Only the symmetric Lamb mode can be used as a proxy for 2D propagation in an extended medium (the field situation). Experimental group and phase velocity

  17. Understanding the two-dimensional ionization structure in luminous infrared galaxies. A near-IR integral field spectroscopy perspective

    CERN Document Server

    Colina, Luis; Arribas, Santiago; Riffel, Rogerio; Riffel, Rogemar A; Rodriguez-Ardila, Alberto; Pastoriza, Miriani; Storchi-Bergmann, Thaisa; Alonso-Herrero, Almudena; Sales, Dinalva

    2015-01-01

    We investigate the 2D excitation structure of the ISM in a sample of LIRGs and Seyferts using near-IR IFS. This study extends to the near-IR the well-known optical and mid-IR emission line diagnostics used to classify activity in galaxies. Based on the spatially resolved spectroscopy of prototypes, we identify in the [FeII]1.64/Br$\\gamma$ - H_2 1-0S(1)/Br$\\gamma$ plane regions dominated by the different heating sources, i.e. AGNs, young MS massive stars, and evolved stars i.e. supernovae. The ISM in LIRGs occupy a wide region in the near-IR diagnostic plane from -0.6 to +1.5 and from -1.2 to +0.8 (in log units) for the [FeII]/Br$\\gamma$ and H_2/Br$\\gamma$ line ratios, respectively. The corresponding median(mode) ratios are +0.18(0.16) and +0.02(-0.04). Seyferts show on average larger values by factors ~2.5 and ~1.4 for the [FeII]/Br$\\gamma$ and H_2/Br$\\gamma$ ratios, respectively. New areas and relations in the near-IR diagnostic plane are defined for the compact, high surface brightness regions dominated by ...

  18. Band structure effects on resonant tunneling in III-V quantum wells versus two-dimensional vertical heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, Philip M., E-mail: philip.campbell@gatech.edu [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Electronic Systems Laboratory, Georgia Tech Research Institute, Atlanta, Georgia 30332 (United States); Tarasov, Alexey; Joiner, Corey A.; Vogel, Eric M. [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Ready, W. Jud [Electronic Systems Laboratory, Georgia Tech Research Institute, Atlanta, Georgia 30332 (United States)

    2016-01-14

    Since the invention of the Esaki diode, resonant tunneling devices have been of interest for applications including multi-valued logic and communication systems. These devices are characterized by the presence of negative differential resistance in the current-voltage characteristic, resulting from lateral momentum conservation during the tunneling process. While a large amount of research has focused on III-V material systems, such as the GaAs/AlGaAs system, for resonant tunneling devices, poor device performance and device-to-device variability have limited widespread adoption. Recently, the symmetric field-effect transistor (symFET) was proposed as a resonant tunneling device incorporating symmetric 2-D materials, such as transition metal dichalcogenides (TMDs), separated by an interlayer barrier, such as hexagonal boron-nitride. The achievable peak-to-valley ratio for TMD symFETs has been predicted to be higher than has been observed for III-V resonant tunneling devices. This work examines the effect that band structure differences between III-V devices and TMDs has on device performance. It is shown that tunneling between the quantized subbands in III-V devices increases the valley current and decreases device performance, while the interlayer barrier height has a negligible impact on performance for barrier heights greater than approximately 0.5 eV.

  19. Simulation and Experimental Study of a 2D Photonic Crystal Structure that Reflects a Quantum Dots Emission in the Normal Direction

    Directory of Open Access Journals (Sweden)

    Isnaeni Isnaeni

    2016-09-01

    Full Text Available Two-dimensional photonic crystal structures not only confine light and guide waves laterally but also reflect light in the normal direction due to a slow Bloch mode effect. However, evidence of the utilization of this structure as a mirror is required. Therefore, in this work, a simulation was made and experimental results were obtained to prove that there was an increase in the intensity of reflected CdSe colloidal quantum dots emission in the normal direction when a 2D photonic crystal structure was used. A thin TiO2 film was shaped into a two-dimensional photonic crystal structure using a simple sol-gel and polystyrene-mask-etching procedure. This structure was then placed on top of the thin CdSe quantum dots film layer. The emission of quantum dots onto the two-dimensional photonic crystal structure was compared to quantum dots emission onto a flat, thin TiO2 film. An increase in the quantum dots emission of up to 105% was in the presence of the two-dimensional photonic crystal structure. This finding is very useful for photonic device applications, such as light-emitting diodes, laser systems and bio-tagging detection systems.

  20. Electron Cryomicroscopy of Membrane Proteins: Specimen Preparation for Two-Dimensional Crystals and Single Particles

    OpenAIRE

    Schmidt-Krey, Ingeborg; Rubinstein, John L.

    2010-01-01

    Membrane protein structure and function can be studied by two powerful and highly complementary electron cryomicroscopy (cryo-EM) methods: electron crystallography of two-dimensional (2D) crystals and single particle analysis of detergent-solubilized protein complexes. To obtain the highest-possible resolution data from membrane proteins, whether prepared as 2D crystals or single particles, cryo-EM samples must be vitrified with great care. Grid preparation for cryo-EM of 2D crystals is possi...

  1. Tunable states of interlayer cations in two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Sato, K.; Numata, K. [Department of Environmental Sciences, Tokyo Gakugei University, Koganei, Tokyo 184-8501 (Japan); Dai, W. [Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin 300071 (China); Hunger, M. [Institute of Chemical Technology, University of Stuttgart, 70550 Stuttgart (Germany)

    2014-03-31

    The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of {sup 23}Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and {sup 23}Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed.

  2. Guided Lamb wave based 2-D spiral phased array for structural health monitoring of thin panel structures

    Science.gov (United States)

    Yoo, Byungseok

    2011-12-01

    In almost all industries of mechanical, aerospace, and civil engineering fields, structural health monitoring (SHM) technology is essentially required for providing the reliable information of structural integrity of safety-critical structures, which can help reduce the risk of unexpected and sometimes catastrophic failures, and also offer cost-effective inspection and maintenance of the structures. State of the art SHM research on structural damage diagnosis is focused on developing global and real-time technologies to identify the existence, location, extent, and type of damage. In order to detect and monitor the structural damage in plate-like structures, SHM technology based on guided Lamb wave (GLW) interrogation is becoming more attractive due to its potential benefits such as large inspection area coverage in short time, simple inspection mechanism, and sensitivity to small damage. However, the GLW method has a few critical issues such as dispersion nature, mode conversion and separation, and multiple-mode existence. Phased array technique widely used in all aspects of civil, military, science, and medical industry fields may be employed to resolve the drawbacks of the GLW method. The GLW-based phased array approach is able to effectively examine and analyze complicated structural vibration responses in thin plate structures. Because the phased sensor array operates as a spatial filter for the GLW signals, the array signal processing method can enhance a desired signal component at a specific direction while eliminating other signal components from other directions. This dissertation presents the development, the experimental validation, and the damage detection applications of an innovative signal processing algorithm based on two-dimensional (2-D) spiral phased array in conjunction with the GLW interrogation technique. It starts with general backgrounds of SHM and the associated technology including the GLW interrogation method. Then, it is focused on the

  3. Two-dimensional fourier transform spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    DeFlores, Lauren; Tokmakoff, Andrei

    2016-10-25

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  4. Two-dimensional fourier transform spectrometer

    Science.gov (United States)

    DeFlores, Lauren; Tokmakoff, Andrei

    2013-09-03

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  5. Photodetectors based on two dimensional materials

    Science.gov (United States)

    Zheng, Lou; Zhongzhu, Liang; Guozhen, Shen

    2016-09-01

    Two-dimensional (2D) materials with unique properties have received a great deal of attention in recent years. This family of materials has rapidly established themselves as intriguing building blocks for versatile nanoelectronic devices that offer promising potential for use in next generation optoelectronics, such as photodetectors. Furthermore, their optoelectronic performance can be adjusted by varying the number of layers. They have demonstrated excellent light absorption, enabling ultrafast and ultrasensitive detection of light in photodetectors, especially in their single-layer structure. Moreover, due to their atomic thickness, outstanding mechanical flexibility, and large breaking strength, these materials have been of great interest for use in flexible devices and strain engineering. Toward that end, several kinds of photodetectors based on 2D materials have been reported. Here, we present a review of the state-of-the-art in photodetectors based on graphene and other 2D materials, such as the graphene, transition metal dichalcogenides, and so on. Project supported by the National Natural Science Foundation of China (Nos. 61377033, 61574132, 61504136) and the State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences.

  6. Two-dimensional gallium nitride realized via graphene encapsulation

    Science.gov (United States)

    Al Balushi, Zakaria Y.; Wang, Ke; Ghosh, Ram Krishna; Vilá, Rafael A.; Eichfeld, Sarah M.; Caldwell, Joshua D.; Qin, Xiaoye; Lin, Yu-Chuan; Desario, Paul A.; Stone, Greg; Subramanian, Shruti; Paul, Dennis F.; Wallace, Robert M.; Datta, Suman; Redwing, Joan M.; Robinson, Joshua A.

    2016-11-01

    The spectrum of two-dimensional (2D) and layered materials `beyond graphene’ offers a remarkable platform to study new phenomena in condensed matter physics. Among these materials, layered hexagonal boron nitride (hBN), with its wide bandgap energy (~5.0-6.0 eV), has clearly established that 2D nitrides are key to advancing 2D devices. A gap, however, remains between the theoretical prediction of 2D nitrides `beyond hBN’ and experimental realization of such structures. Here we demonstrate the synthesis of 2D gallium nitride (GaN) via a migration-enhanced encapsulated growth (MEEG) technique utilizing epitaxial graphene. We theoretically predict and experimentally validate that the atomic structure of 2D GaN grown via MEEG is notably different from reported theory. Moreover, we establish that graphene plays a critical role in stabilizing the direct-bandgap (nearly 5.0 eV), 2D buckled structure. Our results provide a foundation for discovery and stabilization of 2D nitrides that are difficult to prepare via traditional synthesis.

  7. Time-domain analysis of bandgap characteristics of two-dimensional periodic structures by use of a source-model technique.

    Science.gov (United States)

    Ludwig, Alon; Leviatan, Yehuda

    2008-02-01

    We introduce a time-domain source-model technique for analysis of two-dimensional, transverse-magnetic, plane-wave scattering by a photonic crystal slab composed of a finite number of identical layers, each comprising a linear periodic array of dielectric cylinders. The proposed technique takes advantage of the periodicity of the slab by solving the problem within a unit cell of the periodic structure. A spectral analysis of the temporal behavior of the fields scattered by the slab shows a clear agreement between frequency bands where the spectral density of the transmitted energy is low and the bandgaps of the corresponding two-dimensionally infinite periodic structure. The effect of the bandwidth of the incident pulse and its center frequency on the manner it is transmitted through and reflected by the slab is studied via numerical examples.

  8. A numerical method for three-dimensional vortical structure of spiral vortex in wind turbine with two-dimensional velocity data at plural azimuthal angles

    Science.gov (United States)

    Nakayama, Katsuyuki; Mizushima, Lucas Dias; Murata, Junsuke; Maeda, Takao

    2016-06-01

    A numerical method is presented to extract three-dimensional vortical structure of a spiral vortex (wing tip vortex) in a wind turbine, from two-dimensional velocity data at several azimuthal angles. This numerical method contributes to analyze a vortex observed in experiment where three-dimensional velocity field is difficult to be measured. This analysis needs two-dimensional velocity data in parallel planes at different azimuthal angles of a rotating blade, which facilitates the experiment since the angle of the plane does not change. The vortical structure is specified in terms of the invariant flow topology derived from eigenvalues and eigenvectors of three-dimensional velocity gradient tensor and corresponding physical properties. In addition, this analysis enables to investigate not only vortical flow topology but also important vortical features such as pressure minimum and vortex stretching that are derived from the three-dimensional velocity gradient tensor.

  9. Fabrication of large-sized two-dimensional ordered surface array with well-controlled structure via colloidal particle lithography.

    Science.gov (United States)

    Meng, Xiaohui; Zhang, Xinping; Ye, Lei; Qiu, Dong

    2014-06-17

    Epoxy resin coated glass slides were used for colloidal particle lithography, in order to prepare well-defined 2D surface arrays. Upon the assistance of a large-sized 2D colloidal single crystal as template, centimeter-sized ordered surface arrays of bowl-like units were obtained. Systematic studies revealed that the parameters of obtained surface arrays could be readily controlled by some operational factors, such as temperature, epoxy resin layer thickness, and template particle size. With epoxy resin substituting for normal linear polymer, the height/diameter ratio of bowls in the formed surface arrays can be largely increased. With further reactive plasma etching, the parameters of ordered surface arrays could be finely tuned through controlling etching time. This study provides a facile way to prepare large-sized 2D surface arrays with tunable parameters.

  10. Two-dimensional photonic crystal surfactant detection.

    Science.gov (United States)

    Zhang, Jian-Tao; Smith, Natasha; Asher, Sanford A

    2012-08-07

    We developed a novel two-dimensional (2-D) crystalline colloidal array photonic crystal sensing material for the visual detection of amphiphilic molecules in water. A close-packed polystyrene 2-D array monolayer was embedded in a poly(N-isopropylacrylamide) (PNIPAAm)-based hydrogel film. These 2-D photonic crystals placed on a mirror show intense diffraction that enables them to be used for visual determination of analytes. Binding of surfactant molecules attaches ions to the sensor that swells the PNIPAAm-based hydrogel. The resulting increase in particle spacing red shifts the 2-D diffracted light. Incorporation of more hydrophobic monomers increases the sensitivity to surfactants.

  11. Aerosol assisted fabrication of two dimensional ZnO island arrays and honeycomb patterns with identical lattice structures

    Directory of Open Access Journals (Sweden)

    Mitsuhiro Numata

    2010-11-01

    Full Text Available Two dimensional island arrays and honeycomb patterns consisting of ZnO nanocrystal clusters were fabricated on predefined TiO2 seed patterns prepared by vacuum free, aerosol assisted wet-chemical synthesis. The TiO2 seed patterns were prepared by applying an aerosol of a water soluble titanium complex on hexagonally close-packed polystyrene bead arrays for different lengths of time. Scanning electron microscopy revealed that a dot array grows into a honeycomb shape as increasing amounts of the precursor were deposited. ZnO nucleation on substrates with a dot array and honeycomb patterns resulted in the formation of two discrete patterns with contrasting fill fractions of the materials.

  12. Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxyacetic acid and (4-chloro-2-methylphenoxyacetic acid

    Directory of Open Access Journals (Sweden)

    Graham Smith

    2014-12-01

    Full Text Available The structures of the ammonium salts of phenoxyacetic acid, NH4+·C8H6O3−, (I, (4-fluorophenoxyacetic acid, NH4+·C8H5FO3−, (II, and the herbicidally active (4-chloro-2-methylphenoxyacetic acid (MCPA, NH4+·C9H8ClO3−·0.5H2O, (III have been determined. All have two-dimensional layered structures based on inter-species ammonium N—H...O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I and (II are isomorphous with the core comprising R12(5, R12(4 and centrosymmetric R42(8 ring motifs, giving two-dimensional layers lying parallel to (100. In (III, the water molecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R44(12 hydrogen-bonded motif, creating two R43(10 rings, which together with a conjoined centrosymmetric R42(8 ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100. No π–π ring associations are present in any of the structures.

  13. Development of Novel Two-dimensional Layers, Alloys and Heterostructures

    Science.gov (United States)

    Liu, Zheng

    2015-03-01

    The one-atom-think graphene has fantastic properties and attracted tremendous interests in these years, which opens a window towards various two-dimensional (2D) atomic layers. However, making large-size and high-quality 2D layers is still a great challenge. Using chemical vapor deposition (CVD) method, we have successfully synthesized a wide varieties of highly crystalline and large scale 2D atomic layers, including h-BN, metal dichalcogenides e.g. MoS2, WS2, CdS, GaSe and MoSe2 which belong to the family of binary 2D materials. Ternary 2D alloys including BCN and MoS2xSe2 (1 - x) are also prepared and characterized. In addition, synthesis of 2D heterostructures such as vertical and lateral graphene/h-BN, vertical and lateral TMDs are also demonstrated. Complementary to CVD grown 2D layers, 2D single-crystal (bulk) such as Phosphorene (P), WTe2, SnSe2, PtS2, PtSe2, PdSe2, WSe2xTe2 (1 - x), Ta2NiS5andTa2NiSe5 are also prepared by solid reactions. There work provide a better understanding of the atomic layered materials in terms of the synthesis, atomic structure, alloying and their physical properties. Potential applications of these 2D layers e.g. optoelectronic devices, energy device and smart coating have been explored.

  14. Grazing incidence neutron diffraction from large scale 2D structures

    Energy Technology Data Exchange (ETDEWEB)

    Toperverg, B. P.; Felcher, G. P.; Metlushko, V. V.; Leiner, V.; Siebrecht, R.; Nikonov, O.

    2000-01-13

    The distorted wave Born approximation (DWBA) is applied to evaluate the diffraction pattern of neutrons (or X-rays) from a 2D array of dots deposited onto a dissimilar substrate. With the radiation impinging on the surface at a grazing incidence angle {alpha}, the intensities diffracted both in and out the plane of specular reflection are calculated as a function of the periodicity of the array, height and diameter of the dots. The results are presented in the form of diffracted intensity contours in a plane with coordinates {alpha} and {alpha}{prime}, the latter being the glancing angle of scattering. The optimization of the experimental conditions for polarized neutron experiments on submicron dots is discussed. The feasibility of such measurements is confirmed by a test experiment.

  15. Two-dimensional Kagome photonic bandgap waveguide

    DEFF Research Database (Denmark)

    Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou;

    2000-01-01

    The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....

  16. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao

    2015-02-25

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  17. A two-dimensional Dirac fermion microscope

    DEFF Research Database (Denmark)

    Bøggild, Peter; Caridad, Jose; Stampfer, Christoph

    2017-01-01

    in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2...

  18. Piezoelectric-paint-based two-dimensional phased sensor arrays for structural health monitoring of thin panels

    Science.gov (United States)

    Yoo, B.; Purekar, A. S.; Zhang, Y.; Pines, D. J.

    2010-07-01

    A damage detection method based on an innovative 2D phased sensor array made of piezoelectric paint is proposed for in situ damage detection of a thin isotropic panel using guided Lamb waves. A design analysis of candidate 2D arrays based on spiral, cruciform and circular element layouts is performed. In this study, a 2D phased sensor array with a spiral configuration is fabricated using a piezoelectric composite (piezopaint) patch and used for detecting damages in an aluminum panel. Steered array responses are generated from the raw sensor signals using a directional filtering algorithm based on phased array signal processing. The fundamental flexural (or transverse), A0 mode, of the guided Lamb waves is used though the sensing and analysis technique is not limited to the mode used in this work. To enhance the proposed analysis technique, empirical mode decomposition (EMD) and a Hilbert-Huang transform (HHT) are applied. A new damage detection algorithm including threshold setting and damage index (DI) calculation is developed and implemented for detecting damages in the form of holes and a simulated crack. The characteristic damage indices consistently increase as damage size grows.

  19. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert

    2011-01-01

    The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

  20. Two dimensional vernier

    Science.gov (United States)

    Juday, Richard D. (Inventor)

    1992-01-01

    A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.

  1. Perspective: Two-dimensional resonance Raman spectroscopy

    Science.gov (United States)

    Molesky, Brian P.; Guo, Zhenkun; Cheshire, Thomas P.; Moran, Andrew M.

    2016-11-01

    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.

  2. Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study.

    Science.gov (United States)

    Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Biache, Coralie; Lambi Ngolui, John; Ponou, Siméon; Dahaoui, Slimane; Lecomte, Claude

    2014-10-01

    The stacked two-dimensional supramolecular compound catena-{Co(amp)3Cr(ox)3·6H2O} (amp = 2-picolylamine, ox = oxalate) has been synthesized from the bimolecular approach using hydrogen bonds. It is built from layers in which both Co(amp)(3+) (D) and Cr(ox)(3-) (A) ions are bonded in a repeating DADADA… pattern along the a and c axes by multiple hydrogen bonds. These layers host a well resolved R12 dodecameric discrete ring of water clusters built by six independent molecules located around the 2c centrosymmetric Wyckoff positions of the P21/n space group in which the compound crystallizes. These clusters are ranged along the [001] direction, occupy 733.5 Å(3) (22.0%) of the unit cell and have a chair conformation via 12 hydrogen bonds. The water molecules of the cluster are linked with stronger hydrogen bonds than those between the cluster and its host, which explains the single continuous step of the dehydration process of the compound.

  3. Tunability of band structures in a two-dimensional magnetostrictive phononic crystal plate with stress and magnetic loadings

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shunzu; Shi, Yang [Key Laboratory of Mechanics on Disaster and Environment in Western China attached to the Ministry of Education of China, Lanzhou University, Lanzhou, Gansu 730000 (China); Department of Mechanics and Engineering Sciences, College of Civil Engineering and Mechanics, Lanzhou University, Lanzhou, Gansu 730000 (China); Gao, Yuanwen, E-mail: ywgao@lzu.edu.cn [Key Laboratory of Mechanics on Disaster and Environment in Western China attached to the Ministry of Education of China, Lanzhou University, Lanzhou, Gansu 730000 (China); Department of Mechanics and Engineering Sciences, College of Civil Engineering and Mechanics, Lanzhou University, Lanzhou, Gansu 730000 (China)

    2017-03-26

    Considering the magneto-mechanical coupling of magnetostrictive material, the tunability of in-plane wave propagation in two-dimensional Terfenol-D/epoxy phononic crystal (PC) plate is investigated theoretically by the plane wave expansion method. Two Schemes, i.e. magnetic field is rotated in x–y plane and x–z plane, are studied, respectively. The effects of amplitude and direction of magnetic field, pre-stress and geometric parameters are discussed. For Scheme-I, band gap reaches the maximum at an optimal angle 45° of magnetic field. However, the optimal angle is 0° for Scheme-II, because band gap decreases monotonically until disappears with the increasing angle. For both cases, higher-order band gaps generate and become stronger as magnetic field amplitude increases, while increasing compressive pre-stress has the opposite effect. Meanwhile, filling fraction plays a key role in controlling band gaps. These results provide possibility for intelligent regulation and optimal design of PC plates. - Highlights: • The in-plane wave propagation in phononic crystal thin plate is tuned theoretically. • Magnetostrictive material is introduced in the study. • The effects of magnetic field and pre-stress are considered. • The variations of band gaps with external stimuli are discussed.

  4. Atom-Based Geometrical Fingerprinting of Conformal Two-Dimensional Materials

    Science.gov (United States)

    Mehboudi, Mehrshad

    The shape of two-dimensional materials plays a significant role on their chemical and physical properties. Two-dimensional materials are basic meshes that are formed by mesh points (vertices) given by atomic positions, and connecting lines (edges) between points given by chemical bonds. Therefore the study of local shape and geometry of two-dimensional materials is a fundamental prerequisite to investigate physical and chemical properties. Hereby the use of discrete geometry to discuss the shape of two-dimensional materials is initiated. The local geometry of a surface embodied in 3D space is determined using four invariant numbers from the metric and curvature tensors which indicates how much the surface is stretched and curved under a deformation as compared to a reference pre-deformed conformation. Many different disciplines advance theories on conformal two-dimensional materials by relying on continuum mechanics and fitting continuum surfaces to the shape of conformal two-dimensional materials. However two-dimensional materials are inherently discrete. The continuum models are only applicable when the size of two-dimensional materials is significantly large and the deformation is less than a few percent. In this research, the knowledge of discrete differential geometry was used to tell the local shape of conformal two-dimensional materials. Three kind of two-dimensional materials are discussed: 1) one atom thickness structures such as graphene and hexagonal boron nitride; 2) high and low buckled 2D meshes like stanene, leadene, aluminum phosphate; and, 3) multi layer 2D materials such as Bi2Se3 and WSe2. The lattice structures of these materials were created by designing a mechanical model - the mechanical model was devised in the form of a Gaussian bump and density-functional theory was used to inform the local height; and, the local geometries are also discussed.

  5. Coherent phenomena in terahertz 2D plasmonic structures: strong coupling, plasmonic crystals, and induced transparency by coupling of localized modes

    Science.gov (United States)

    Dyer, Gregory C.; Aizin, Gregory R.; Allen, S. James; Grine, Albert D.; Bethke, Don; Reno, John L.; Shaner, Eric A.

    2014-05-01

    The device applications of plasmonic systems such as graphene and two dimensional electron gases (2DEGs) in III-V heterostructures include terahertz detectors, mixers, oscillators and modulators. These two dimensional (2D) plasmonic systems are not only well-suited for device integration, but also enable the broad tunability of underdamped plasma excitations via an applied electric field. We present demonstrations of the coherent coupling of multiple voltage tuned GaAs/AlGaAs 2D plasmonic resonators under terahertz irradiation. By utilizing a plasmonic homodyne mixing mechanism to downconvert the near field of plasma waves to a DC signal, we directly detect the spectrum of coupled plasmonic micro-resonator structures at cryogenic temperatures. The 2DEG in the studied devices can be interpreted as a plasmonic waveguide where multiple gate terminals control the 2DEG kinetic inductance. When the gate tuning of the 2DEG is spatially periodic, a one-dimensional finite plasmonic crystal forms. This results in a subwavelength structure, much like a metamaterial element, that nonetheless Bragg scatters plasma waves from a repeated crystal unit cell. A 50% in situ tuning of the plasmonic crystal band edges is observed. By introducing gate-controlled defects or simply terminating the lattice, localized states arise in the plasmonic crystal. Inherent asymmetries at the finite crystal boundaries produce an induced transparency-like phenomenon due to the coupling of defect modes and crystal surface states known as Tamm states. The demonstrated active control of coupled plasmonic resonators opens previously unexplored avenues for sensitive direct and heterodyne THz detection, planar metamaterials, and slow-light devices.

  6. Existence of shocklets in a two-dimensional supersonic mixing layer and its influence on the flow structure

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The spatial evolution of a T-S wave and its subharmonic wave, introduced at the inlet in a 2-D supersonic mixing layer, was investigated by using DNS. The relationship between the amplitude of the disturbance wave and the strength of the shocklet caused by the disturbance was investigated. We analyzed the shape of the disturbance velocity profile on both sides of the shocklet, and found that the existence of shocklet affected appreciably the disturbance velocity. The effects on the high speed side and low speed side of the mixing layer were found to be different.

  7. Point Contacts in Modeling Conducting 2D Planar Structures

    CERN Document Server

    Thiel, David V; Hettenhausen, Jan; Lewis, Andrew

    2015-01-01

    Use of an optimization algorithm to improve performance of antennas and electromagnetic structures usually ends up in planar unusual shapes. Using rectangular conducting elements the proposed structures sometimes have connections with only one single point in common between two neighboring areas. The single point connections (point crossing) can affect the electromagnetic performance of the structure. In this letter, we illustrate the influence of point crossing on dipole and loop antennas using MoM, FDTD, and FEM solvers. Current distribution, radiation pattern, and impedance properties for different junctions are different. These solvers do not agree in the modeling of the point crossing junctions which is a warning about uncertainty in using such junctions. However, solvers agree that a negligible change in the junction would significantly change the antenna performance. We propose that one should consider both bridging and chamfering of the conflicting cells to find optimized structures. This reduces the ...

  8. Effects of stacking order, layer number and external electric field on electronic structures of few-layer C2N-h2D.

    Science.gov (United States)

    Zhang, Ruiqi; Li, Bin; Yang, Jinlong

    2015-09-07

    Recently, a new type of two-dimensional layered material, i.e. a nitrogenated holey two-dimensional structure C2N-h2D, has been synthesized using a simple wet-chemical reaction and used to fabricate a field-effect transistor device (Nat. Commun., 2015, 6, 6486). Here we have performed a first-principles study of the electronic properties of few-layer C2N-h2D with different stacking orders and layer numbers. Because of the interlayer coupling mainly in terms of the orbital interaction, band structure of this system, especially splitting of the bands and band gap, depends on its stacking order between the layers, and the band gap exhibits monotonically decreasing behavior as the layer number increases. All the few-layer C2N-h2D materials have characteristics of direct band gap, irrespective of the stacking order and layer number examined in our calculations. And bulk C2N-h2D has an indirect or direct band gap, depending on the stacking order. Besides, when we apply an out-of-plane electric field on few-layer C2N-h2D, its band gap will decrease as the electric field increases due to a giant Stark effect except for the monolayer case, and even a semiconductor-to-metal transition may occur for few-layer C2N-h2D with more layers under an appropriate electric field. Owing to their tunable band gaps in a wide range, the layered C2N-h2D materials will have tremendous opportunities to be applied in nanoscale electronic and optoelectronic devices.

  9. Two-dimensional heterostructures for energy storage

    Science.gov (United States)

    Pomerantseva, Ekaterina; Gogotsi, Yury

    2017-07-01

    Two-dimensional (2D) materials provide slit-shaped ion diffusion channels that enable fast movement of lithium and other ions. However, electronic conductivity, the number of intercalation sites, and stability during extended cycling are also crucial for building high-performance energy storage devices. While individual 2D materials, such as graphene, show some of the required properties, none of them can offer all properties needed to maximize energy density, power density, and cycle life. Here we argue that stacking different 2D materials into heterostructured architectures opens an opportunity to construct electrodes that would combine the advantages of the individual building blocks while eliminating the associated shortcomings. We discuss characteristics of common 2D materials and provide examples of 2D heterostructured electrodes that showed new phenomena leading to superior electrochemical performance. We also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.

  10. Thermodynamic versus kinetic control in self-assembly of zero-, one-, quasi-two-, and two-dimensional metal-organic coordination structures.

    Science.gov (United States)

    Lin, Tao; Wu, Qi; Liu, Jun; Shi, Ziliang; Liu, Pei Nian; Lin, Nian

    2015-03-14

    Four types of metal-organic structures exhibiting specific dimensionality were studied using scanning tunneling microscopy and Monte Carlo simulations. The four structures were self-assembled out of specifically designed molecular building blocks via the same coordination motif on an Au(111) surface. We found that the four structures behaved differently in response to thermal annealing treatments: The two-dimensional structure was under thermodynamic control while the structures of lower dimension were under kinetic control. Monte Carlo simulations revealed that the self-assembly pathways of the four structures are associated with the characteristic features of their specific heat. These findings provide insights into how the dimensionality of supramolecular coordination structures affects their thermodynamic properties.

  11. On the quasi-one dimensional structure of the cellular detonation in a two-dimensional duct

    Science.gov (United States)

    Uyeda, C. M.; Kurosaka, M.; Ferrante, A.

    2015-11-01

    We performed numerical simulations of cellular detonations in a 2D duct to establish the validity of the one-dimensional ZND model. The detonation was simulated by solving the Euler equations with a WENO-TCD numerical method using adaptive mesh refinement and a detailed chemical reaction mechanism. The results show that the properties of the ZND model of a 2H2-O2-7Ar reaction are very close to the results of the simulations initiated using three different methods for the area-averaged properties and the properties of particles tracked along their pathlines. Disagreements between the particle properties and the ZND model are greatest near the detonation front where the transverse wave and Mach stem introduce larger jumps in the flow properties than the ZND model predicts. The particle pathlines also exhibit a quasi one-dimensional motion downstream from the detonation front which is supported by the quick decay in the particles' velocity ratio of the vertical to horizontal velocity components, in the reference frame attached to the detonation front. These findings show the quasi one-dimensional nature of 2D detonations and the applicability of the ZND model.

  12. Two-dimensional hybrid layered materials: strain engineering on the band structure of MoS2/WSe2 hetero-multilayers

    Science.gov (United States)

    Gu, Kunming; Yu, Sheng; Eshun, Kwesi; Yuan, Haiwen; Ye, Huixian; Tang, Jiaoning; Ioannou, Dimitris E.; Xiao, Changshi; Wang, Hui; Li, Qiliang

    2017-09-01

    In this paper, we report a comprehensive modeling and simulation study of constructing hybrid layered materials by alternately stacking MoS2 and WSe2 monolayers. Such hybrid MoS2/WSe2 hetero-multilayers exhibited direct bandgap semiconductor characteristics with bandgap energy (E g) in a range of 0.45-0.55 eV at room temperature, very attractive for optoelectronics (wavelength range 2.5-2.75 μm) based on thicker two-dimensional (2D) materials. It was also found that the interlayer distance has a significant impact on the electronic properties of the hetero-multilayers, for example a five orders of magnitude change in the conductance was observed. Three material phases, direct bandgap semiconductor, indirect bandgap semiconductor, and metal were observed in MoS2/WSe2 hetero-multilayers, as the interlayer distance decreased from its relaxed (i.e., equilibrium) value of about 6.73 Å down to 5.50 Å, representing a vertical pressure of about 0.8 GPa for the bilayer and 1.5 GPa for the trilayer. Such new hybrid layered materials are very interesting for future nanoelectronic pressure sensor and nanophotonic applications. This study describes a new approach to explore and engineer the construction and application of tunable 2D semiconductors.

  13. Ultrafast two dimensional infrared chemical exchange spectroscopy

    Science.gov (United States)

    Fayer, Michael

    2011-03-01

    The method of ultrafast two dimensional infrared (2D IR) vibrational echo spectroscopy is described. Three ultrashort IR pulses tuned to the frequencies of the vibrational transitions of interest are directed into the sample. The interaction of these pulses with the molecular vibrational oscillators produces a polarization that gives rise to a fourth pulse, the vibrational echo. The vibrational echo pulse is combined with another pulse, the local oscillator, for heterodyne detection of the signal. For fixed time between the second and third pulses, the waiting time, the first pulse is scanned. Two Fourier transforms of the data yield a 2D IR spectrum. The waiting time is increased, and another spectrum is obtained. The change in the 2D IR spectra with increased waiting time provides information on the time evolution of the structure of the molecular system under observation. In a 2D IR chemical exchange experiment, two species A and B, are undergoing chemical exchange. A's are turning into B's, and B's are turning into A's, but the overall concentrations of the species are not changing. The kinetics of the chemical exchange on the ground electronic state under thermal equilibrium conditions can be obtained 2D IR spectroscopy. A vibration that has a different frequency for the two species is monitored. At very short time, there will be two peaks on the diagonal of the 2D IR spectrum, one for A and one for B. As the waiting time is increased, chemical exchange causes off-diagonal peaks to grow in. The time dependence of the growth of these off-diagonal peaks gives the chemical exchange rate. The method is applied to organic solute-solvent complex formation, orientational isomerization about a carbon-carbon single bond, migration of a hydrogen bond from one position on a molecule to another, protein structural substate interconversion, and water hydrogen bond switching between ions and water molecules. This work was supported by the Air Force Office of Scientific

  14. How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection.

    Science.gov (United States)

    Heikamp, Kathrin; Bajorath, Jürgen

    2011-09-26

    In independent studies it has previously been demonstrated that two-dimensional (2D) fingerprints have scaffold hopping ability in virtual screening, although these descriptors primarily emphasize structural and/or topological resemblance of reference and database compounds. However, the mechanism by which such fingerprints enrich structurally diverse molecules in database selection sets is currently little understood. In order to address this question, similarity search calculations on 120 compound activity classes of varying structural diversity were carried out using atom environment fingerprints. Two feature selection methods, Kullback-Leibler divergence and gain ratio analysis, were applied to systematically reduce these fingerprints and generate alternative versions for searching. Gain ratio is a feature selection method from information theory that has thus far not been considered in fingerprint analysis. However, it is shown here to be an effective fingerprint feature selection approach. Following comparative feature selection and similarity searching, the compound recall characteristics of original and reduced fingerprint versions were analyzed in detail. Small sets of fingerprint features were found to distinguish subsets of active compounds from other database molecules. The compound recall of fingerprint similarity searching often resulted from a cumulative detection of distinct compound subsets by different fingerprint features, which provided a rationale for the scaffold hopping potential of these 2D fingerprints.

  15. 2-D Finite Element Analysis of Massive RC Structures

    DEFF Research Database (Denmark)

    Saabye Ottosen, Niels

    1982-01-01

    Nonlinear analysis of concrete structures using finite elements is discussed. The applications include a thick-walled top-closure for a pressure vessel as well as the delicate problems of beams failing in shear. The top-closure analysis evaluates the effect of two different failure criteria...... and modeling of a realistic post-failure behavior is demonstrated to be mandatory for accurate structural predictions. For shear beams it is shown that the primary cause of failure is strain softening adjacent to the load point....

  16. Fine structure of fields in 2D photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

    2006-01-01

    We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis.......We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

  17. Fine structure of fields in 2D photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

    2006-01-01

    We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

  18. AlGaAs/GaAs two-dimensional electron gas structures studied by photo reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guillen Cervantes, A; Rivera Alvarez, Z; Hernandez, F; Huerta, J. [Instituto Politecnico Nacional, Mexico, D.F. (Mexico); Mendez Garcia, V. H.; Lastras Martinez, A.; Zamora, L.; Saucedo, N. [Universidad Autonoma de San Luis Potosi, San Luis Potosi (Mexico); Melendez Lira, M; Lopez, M [Instituto Politecnico Nacional, Mexico, D.F. (Mexico)

    2001-12-01

    Al{sub x} Ga{sub 1}-x As/GaAs two-dimensional electron gas (2-DEG) heterostructures were fabricated by molecular beam epitaxy in three different laboratories. The samples were characterized by room temperature Photo reflectance (PR) spectroscopy and measurements at 77 K. Internal electric fields were detected by the presence of Franz-Keldysh (FK) oscillations in the PR spectra. >From a FK analysis we obtained the GaAs band-gap energy and the built-in electric field strength in each sample. On the other hand, in the energy region corresponding to Al{sub x} Ga{sub 1}-x As a broad PR signal was registered typical of a highly doped material. Using the third derivative theory we obtained the Al{sub x} Ga{sub 1}-x As band-gap energy, and from this value the Al concentration in the samples. Results showed that the sample with highest electron mobility exhibited the lowest internal electric field strength. [Spanish] Se fabricaron heteroestructuras del tipo Al{sub x} Ga{sub 1}-x As/GaAs con un gas de electrones en dos dimensiones por medio de epitaxia de haces moleculares en tres laboratorios diferentes. Las muestras se caracterizaron por fotorreflectancia (FR) a temperatura ambiente y por mediciones del efecto mayor a 77 K. Campos electricos internos se detectaron por la presencia de oscilaciones Franz-Leldysh (FK) en los espectros de FR. Del analisis de las oscilaciones FK obtuvimos la energia de la brecha prohibida del GaAs y la intensidad del campo electrico interno en cada muestra. Por otra parte, en la region de energia correspondiente al Al{sub x} Ga{sub 1}-x As observamos una senal de FR ancha, tipica de un material altamente impurificado. Usando la teoria de la tercera derivada, obtuvimos el valor de la brecha de energia del Al{sub x}Ga{sub 1}-xAs, y de este valor la concentracion de Al en las muestras. Los resultados mostraron que la estructura con el valor de movilidad electronica mas alto tiene la intensidad de campo electrico interno mas baja.

  19. Boussinesq Modeling for Inlets, Harbors & Structures (Bouss-2D)

    Science.gov (United States)

    2014-10-27

    longshore and rip currents, wave-current and wave interaction with porous media , wave propagation over vegetated areas, wetlands and marshes, and vessel...circulation in surf and swash zone; wave-current interaction in channels and inlets; generation and impacts of infra- gravity waves on ports and...New structures will be proposed to reduce navigation channel shoaling and decrease vessel influence (e.g., waves, erosion). Ship-to-ship and ship

  20. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

  1. Evolution and structure of the plasma of current sheets forming in two-dimensional magnetic fields with a null line at low initial gas ionization and their interpretation

    Science.gov (United States)

    Ostrovskaya, G. V.; Frank, A. G.

    2012-04-01

    An analysis of the experimental data obtained by holographic interferometry in our work [1] makes it possible to explain most of the observed specific features of the structure and evolution of the plasma sheets developing in a two-dimensional magnetic field with a null line in a plasma with a low initial degree of ionization (≈10-4). The following two processes are shown to play a key role here: additional gas ionization in an electric field and the peculiarities of plasma dynamics in a current sheet expanding in time.

  2. Two-dimensional Network Crown Ether Complex. Synthesis and Crystal Structure of 18-Crown-6 Complex: [K(18-C-6) ]2[Cd-(mnt)2

    Institute of Scientific and Technical Information of China (English)

    WANG,Da-Qi(王大奇); YU,Qing-Jiang(于清江); DOU,Jian-Min(窦建民)

    2002-01-01

    The novel complex [K(18-C-6)]2[Cd(mnt)2] [18-C-6=18-crown-6, mnt= 1, 2-dicyanoethen-1, 2-dithiolate, C2S2-(CN)2- 2] was synthesized and characterized by elemental analysis,IR spectrum and X-ray diffraction analysis. The complex displays two-dimensional network structure of [ K(18-C-6)] complex segments and [Cd(mnt)2] complex segment bridged by S-K-S, S-K-N and N-K-N interactions between adjacent [K(18-C-6)] and [Cd(mnt)2] units.

  3. Simulating three-dimensional seismograms in 2.5-dimensional structures by combining two-dimensional finite difference modelling and ray tracing

    Science.gov (United States)

    Miksat, J.; Müller, T. M.; Wenzel, F.

    2008-07-01

    Finite difference (FD) simulation of elastic wave propagation is an important tool in geophysical research. As large-scale 3-D simulations are only feasible on supercomputers or clusters, and even then the simulations are limited to long periods compared to the model size, 2-D FD simulations are widespread. Whereas in generally 3-D heterogeneous structures it is not possible to infer the correct amplitude and waveform from 2-D simulations, in 2.5-D heterogeneous structures some inferences are possible. In particular, Vidale & Helmberger developed an approach that simulates 3-D waveforms using 2-D FD experiments only. However, their method requires a special FD source implementation technique that is based on a source definition which is not any longer used in nowadays FD codes. In this paper, we derive a conversion between 2-D and 3-D Green tensors that allows us to simulate 3-D displacement seismograms using 2-D FD simulations and the actual ray path determined in the geometrical optic limit. We give the conversion for a source of a certain seismic moment that is implemented by incrementing the components of the stress tensor. Therefore, we present a hybrid modelling procedure involving 2-D FD and kinematic ray-tracing techniques. The applicability is demonstrated by numerical experiments of elastic wave propagation for models of different complexity.

  4. 2D IR spectroscopy of histidine: probing side-chain structure and dynamics via backbone amide vibrations.

    Science.gov (United States)

    Ghosh, Ayanjeet; Tucker, Matthew J; Gai, Feng

    2014-07-17

    It is well known that histidine is involved in many biological functions due to the structural versatility of its side chain. However, probing the conformational transitions of histidine in proteins, especially those occurring on an ultrafast time scale, is difficult. Herein we show, using a histidine dipeptide as a model, that it is possible to probe the tautomer and protonation status of a histidine residue by measuring the two-dimensional infrared (2D IR) spectrum of its amide I vibrational transition. Specifically, for the histidine dipeptide studied, the amide unit of the histidine gives rise to three spectrally resolvable amide I features at approximately 1630, 1644, and 1656 cm(-1), respectively, which, based on measurements at different pH values and frequency calculations, are assigned to a τ tautomer (1630 cm(-1) component) and a π tautomer with a hydrated (1644 cm(-1) component) or dehydrated (1656 cm(-1) component) amide. Because of the intrinsic ultrafast time resolution of 2D IR spectroscopy, we believe that the current approach, when combined with the isotope editing techniques, will be useful in revealing the structural dynamics of key histidine residues in proteins that are important for function.

  5. Syntheses and Crystal Structures of Two Two-dimensional Coordination Polymers with 2,3-Dimethylpyrazine-1,4-dioxide and Thiocyanate as Mixed Bridge Ligands

    Institute of Scientific and Technical Information of China (English)

    SHI Jing-Min; LI Wei-Nan; ZHANG Feng-Xia; ZHANG Xia; LIU Lian-Dong

    2007-01-01

    Two two-dimensional coordination polymers,[Cd(μ1,3-SCN-)2(μ1,6-L)]n 1 and [Co(μ1,3-SCN-)2(μ1,6-L)]n 2,have been synthesized with 2,3-dimethylpyrazine-1,4-dioxide (L) and thiocyanate as mixed bridging ligands,and their crystal structures were determined by X-ray crystallography.Both crystals belong to monoclinic system,space group C2/c.The other crystal parameters are as follows:for complex 1:a = 9.732(3),b = 14.658(5),c = 8.811(3) (A),β =102.935(4)°,Z = 4,V = 1225.1(7)(A)3,CsHsCdN4O2S2,Mr = 368.71,Dc.-- 1.999 g/cm3,F(000) =720 andμ = 2.117 mm-1;for complex 2:a = 9.528(7),b = 14.563(11),c = 8.415(6) (A),β =102.195(9)°,V= 1141.3(14) (A)3,Z = 4,C8H8CoN4O2S2,Mr = 315.23,Dc = 1.835 g/cm3,F(000) =636 andμ = 1.863 mm-1.The two complexes show similar two-dimensional sheet structures.Along the c axis one-dimensional chains are constructed by the coordination of Cd(Ⅱ) (or Co(Ⅱ))ions with μ1,6-L bridging ligand,and the μ1,3-SCN- bridging ligands make the chains connect to each other,resulting in the formation of a two-dimensional sheet on the ac plane.

  6. Complex Saddles in Two-dimensional Gauge Theory

    CERN Document Server

    Buividovich, P V; Valgushev, S N

    2015-01-01

    We study numerically the saddle point structure of two-dimensional (2D) lattice gauge theory, represented by the Gross-Witten-Wadia unitary matrix model. The saddle points are in general complex-valued, even though the original integration variables and action are real. We confirm the trans-series/instanton gas structure in the weak-coupling phase, and identify a new complex-saddle interpretation of non-perturbative effects in the strong-coupling phase. In both phases, eigenvalue tunneling refers to eigenvalues moving off the real interval, into the complex plane, and the weak-to-strong coupling phase transition is driven by saddle condensation.

  7. Two-dimensional optical spectroscopy

    CERN Document Server

    Cho, Minhaeng

    2009-01-01

    Discusses the principles and applications of two-dimensional vibrational and optical spectroscopy techniques. This book provides an account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy.

  8. A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens, E-mail: bredenbeck@biophysik.uni-frankfurt.org, E-mail: bredenbeck@biophysik.uni-frankfurt.de [Institut für Biophysik, Johann Wolfgang Goethe-Universität, Max-von-Laue-Strasse 1, 60438 Frankfurt (Germany)

    2015-08-15

    A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported.

  9. A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

    Science.gov (United States)

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens

    2015-08-01

    A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported.

  10. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

    Science.gov (United States)

    Mannix, Andrew J.; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D.; Alducin, Diego; Myers, Benjamin D.; Liu, Xiaolong; Fisher, Brandon L.; Santiago, Ulises; Guest, Jeffrey R.; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R.; Hersam, Mark C.; Guisinger, Nathan P.

    2016-01-01

    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes.Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. PMID:26680195

  11. Two-Dimensional Electrons.

    Science.gov (United States)

    2014-09-26

    Isihara and Y. Nalane, Elementary Excitations and Energy Dispersion in TTF-TCNQ;Proc. Internat. Conf. on Phys. and Chem. of Low-Dimen. Syn. Conductors ...Abano Terme, Molec. Crys. Liq. Crys. 120, 85 (1984). One-dimensiona4 conductors such as TTF-TCNQ are attracting considerable attention for their...A. Isihara and Y. Nakane; Magnetoconductivity of 2D Conductors ; Proc. Internat. Conf. on Phys. and Chem. of Low-Dimen. Syn. Conductors , Abano Terme

  12. Two-Dimensional Hexagonal Transition-Metal Oxide for Spintronics.

    Science.gov (United States)

    Kan, Erjun; Li, Ming; Hu, Shuanglin; Xiao, Chuanyun; Xiang, Hongjun; Deng, Kaiming

    2013-04-04

    Two-dimensional materials have been the hot subject of studies due to their great potential in applications. However, their applications in spintronics have been blocked by the difficulty in producing ordered spin structures in 2D structures. Here we demonstrated that the ultrathin films of recently experimentally realized wurtzite MnO can automatically transform into a stable graphitic structure with ordered spin arrangement via density functional calculation, and the stability of graphitic structure can be enhanced by external strain. Moreover, the antiferromagnetic ordering of graphitic MnO single layer can be switched into half-metallic ferromagnetism by small hole-doping, and the estimated Curie temperature is higher than 300 K. Thus, our results highlight a promising way toward 2D magnetic materials.

  13. Three-dimensional structural damage localization system and method using layered two-dimensional array of capacitance sensors

    Science.gov (United States)

    Curry, Mark A (Inventor); Senibi, Simon D (Inventor); Banks, David L (Inventor)

    2010-01-01

    A system and method for detecting damage to a structure is provided. The system includes a voltage source and at least one capacitor formed as a layer within the structure and responsive to the voltage source. The system also includes at least one sensor responsive to the capacitor to sense a voltage of the capacitor. A controller responsive to the sensor determines if damage to the structure has occurred based on the variance of the voltage of the capacitor from a known reference value. A method for sensing damage to a structure involves providing a plurality of capacitors and a controller, and coupling the capacitors to at least one surface of the structure. A voltage of the capacitors is sensed using the controller, and the controller calculates a change in the voltage of the capacitors. The method can include signaling a display system if a change in the voltage occurs.

  14. First-principles study of two-dimensional van der Waals heterojunctions

    OpenAIRE

    Hu, Wei; Yang, Jinlong

    2015-01-01

    Research on graphene and other two-dimensional (2D) materials, such as silicene, germanene, phosphorene, hexagonal boron nitride (h-BN), graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and molybdenum disulphide (MoS2), has recently received considerable interest owing to their outstanding properties and wide applications. Looking beyond this field, combining the electronic structures of 2D materials in ultrathin van der Waals heterojunctions has also emerged to widely study th...

  15. Multilocality and fusion rules on the generalized structure functions in two-dimensional and three-dimensional Navier-Stokes turbulence.

    Science.gov (United States)

    Gkioulekas, Eleftherios

    2016-09-01

    Using the fusion-rules hypothesis for three-dimensional and two-dimensional Navier-Stokes turbulence, we generalize a previous nonperturbative locality proof to multiple applications of the nonlinear interactions operator on generalized structure functions of velocity differences. We call this generalization of nonperturbative locality to multiple applications of the nonlinear interactions operator "multilocality." The resulting cross terms pose a new challenge requiring a new argument and the introduction of a new fusion rule that takes advantage of rotational symmetry. Our main result is that the fusion-rules hypothesis implies both locality and multilocality in both the IR and UV limits for the downscale energy cascade of three-dimensional Navier-Stokes turbulence and the downscale enstrophy cascade and inverse energy cascade of two-dimensional Navier-Stokes turbulence. We stress that these claims relate to nonperturbative locality of generalized structure functions on all orders and not the term-by-term perturbative locality of diagrammatic theories or closure models that involve only two-point correlation and response functions.

  16. Analysis of directional dependence of the two-dimensional array of detectors 2D array seven 29 implications in the planning system; Analisis de la dependencia direcccional de la matriz bidimensional de detectores 2D array seven29. Implicaciones en el sistema de planificacion

    Energy Technology Data Exchange (ETDEWEB)

    Mora Melendez, R.; Seguro Fernandez, A.; Iborra Oquendo, M.; Urena Llinares, A.

    2013-07-01

    The main objective of our study is to find correction factors dependent on the 2D array incidence angles, and to give account of the phenomenon, allowing the Planner to faithfully reproduce data and curves measured experimentally. (Author)

  17. Band structures tunability of bulk 2D phononic crystals made of magneto-elastic materials

    Directory of Open Access Journals (Sweden)

    J. O. Vasseur

    2011-12-01

    Full Text Available The feasibility of contactless tunability of the band structure of two-dimensional phononic crystals is demonstrated by employing magnetostrictive materials and applying an external magnetic field. The influence of the amplitude and of the orientation with respect to the inclusion axis of the applied magnetic field are studied in details. Applications to tunable selective frequency filters with switching functionnality and to reconfigurable wave-guides and demultiplexing devices are then discussed.

  18. A theoretical model for the evolution of two-dimensional large-scale coherent structures in a mixing layer

    Institute of Scientific and Technical Information of China (English)

    周恒; 马良

    1995-01-01

    By a proper combination of the modified weakly nonlinear theory of hydrodynamic stability and the energy method, the spatial evolution of the large-scale coherent structures in a mixing layer has been calculated. The results are satisfactory.

  19. SINGER: A Computer Code for General Analysis of Two-Dimensional Reinforced Concrete Structures. Volume 1. Solution Process

    Science.gov (United States)

    1975-05-01

    34 Journal of the Structural Division. ASCE, Vol. 99, St. 6, June 1973, pp. 1091-1187. 2. Bogner, F. K., Malletr, R. H., Minich , M. D., and Schmit, L. A...201. 6. Bogner, F. K., Mallett, R. H., Minich , M. D., and Schmit, L. A., "Development and Evaluation of Energy Search Methods of Non- linear... Minich , -1. ü., "An linergy Search Method for Nonlinear Structural Analysis," Case Institute of Technology, EDC Report 2-64-5, January

  20. Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials.

    Science.gov (United States)

    Blonsky, Michael N; Zhuang, Houlong L; Singh, Arunima K; Hennig, Richard G

    2015-10-27

    Two-dimensional (2D) materials present many unique materials concepts, including material properties that sometimes differ dramatically from those of their bulk counterparts. One of these properties, piezoelectricity, is important for micro- and nanoelectromechanical systems applications. Using symmetry analysis, we determine the independent piezoelectric coefficients for four groups of predicted and synthesized 2D materials. We calculate with density-functional perturbation theory the stiffness and piezoelectric tensors of these materials. We determine the in-plane piezoelectric coefficient d11 for 37 materials within the families of 2D metal dichalcogenides, metal oxides, and III-V semiconductor materials. A majority of the structures, including CrSe2, CrTe2, CaO, CdO, ZnO, and InN, have d11 coefficients greater than 5 pm/V, a typical value for bulk piezoelectric materials. Our symmetry analysis shows that buckled 2D materials exhibit an out-of-plane coefficient d31. We find that d31 for 8 III-V semiconductors ranges from 0.02 to 0.6 pm/V. From statistical analysis, we identify correlations between the piezoelectric coefficients and the electronic and structural properties of the 2D materials that elucidate the origin of the piezoelectricity. Among the 37 2D materials, CdO, ZnO, and CrTe2 stand out for their combination of large piezoelectric coefficient and low formation energy and are recommended for experimental exploration.

  1. Comparative analysis between two-dimensional (2D) and three-dimensional (3D) MRI acquisitions - clinical applications for the evaluation of the knees in juvenile rheumatoid arthritis (JRA); Analise comparativa entre aquisicao tri (3D) e bidimensional (2D) em ressonancia magnetica - aplicabilidade clinica em joelhos em artrite reumatoide juvenil (ARJ)

    Energy Technology Data Exchange (ETDEWEB)

    Doria, Andre S. [Hospital das Clinicas, Sao Paulo, SP (Brazil). Inst. de Radiologia; Rebelo, Marina de Sa [Hospital das Clinicas, Sao Paulo, SP (Brazil). Instituto do Coracao. Servico de Informatica; Castro, Claudio Campi de [Hospital das Clinicas, Sao Paulo, SP (Brazil). Instituto do Coracao. Servico de Ressonancia Magnetica] [and others

    2000-06-01

    In this cross-sectional study in patients with juvenile rheumatoid arthritis the authors compare two-dimensional evaluation of the maximum synovial diameter on post-contrast axial T1-weighted SE (spin-echo) sequences with volumetric (three-dimensional assessment) on post-contrast axial T1-weighted SPIR (spectral presaturation with inversion recovery) SE sequences. With the aim of determining their cost-effectiveness these two methods of assessment were compared to clinical and laboratorial parameters, as well as the presence of synovial enhancement seen on magnetic resonance imaging. (author)

  2. Fractal characteristics of far-field diffraction patterns for two-dimensional Thue-Morse quasicrystals

    Institute of Scientific and Technical Information of China (English)

    YANG Ming-yang; ZHOU Jun; L Petti; S De Nicola; P Mormile

    2011-01-01

    We report a numerical method to analyze the fractal characteristics of far-field diffraction patterns for two-dimensional Thue-Morse(2-D TM) structures.The far-field diffraction patterns of the 2-D TM structures can be obtained by the numerical method,and they have a good agreement with the experimental ones.The analysis shows that the fractal characteristics of far-field diffraction patterns for the 2-D TM structures are determined by the inflation rule,which have potential applications in the design of optical diffraction devices.

  3. Two-dimensional function photonic crystals

    Science.gov (United States)

    Liu, Xiao-Jing; Liang, Yu; Ma, Ji; Zhang, Si-Qi; Li, Hong; Wu, Xiang-Yao; Wu, Yi-Heng

    2017-01-01

    In this paper, we have studied two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , that can become true easily by electro-optical effect and optical kerr effect. We calculated the band gap structures of TE and TM waves, and found the TE (TM) wave band gaps of function photonic crystals are wider (narrower) than the conventional photonic crystals. For the two-dimensional function photonic crystals, when the dielectric constant functions change, the band gaps numbers, width and position should be changed, and the band gap structures of two-dimensional function photonic crystals can be adjusted flexibly, the needed band gap structures can be designed by the two-dimensional function photonic crystals, and it can be of help to design optical devices.

  4. Two-dimensional effects in nonlinear Kronig-Penney models

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Christiansen, Peter Leth; Rasmussen, Kim

    1997-01-01

    An analysis of two-dimensional (2D) effects in the nonlinear Kronig-Penney model is presented. We establish an effective one-dimensional description of the 2D effects, resulting in a set of pseudodifferential equations. The stationary states of the 2D system and their stability is studied...

  5. Effects of electric field on structures and dynamics in a two-dimensional dust dipole particle system

    Science.gov (United States)

    Hou, X. N.; Liu, Y. H.; Huang, F.; Jiang, S. Z.; Chen, Z. Y.; Zhang, R. Y.

    2016-09-01

    Effects of radial electric field on the structures and dynamics of dust dipoles are studied by molecular dynamics simulations. The dipoles' configuration and mean distance to the system center are used to illustrate the structures of the whole system. It is shown that the dipole particles can arrange themselves into ring-like structures in the absence of external electric field, which can gradually transform to vortex, and then to radial arrangement with the increase of the strength of electric field. The trajectories, mean square displacement, and the mean speed in radial and tangential directions of dipoles are investigated to depict the effects of the radial electric filed on the collective motion of dust dipolar particles, which are closely associated with the growth of dust particle, especially for the formation of rod-like and some other complex fractal dust particles.

  6. Intercomparison of ion beam analysis software for the simulation of backscattering spectra from two-dimensional structures

    Science.gov (United States)

    Mayer, M.; Malinský, P.; Schiettekatte, F.; Zolnai, Z.

    2016-10-01

    The codes RBS-MAST, STRUCTNRA, F95-Rough and CORTEO are simulation codes for ion beam analysis spectra from two- or three-dimensional sample structures. The codes were intercompared in a code-code comparison using an idealized grating structure and by comparison to experimental data from a silicon grating on tantalum interlayer. All codes are in excellent agreement at higher incident energies and not too large energy losses. At lower incident energies, grazing angles of incidence and/or larger energy losses plural scattering effects play an increasing role. Simulation codes with plural scattering capabilities offer higher accuracy and better agreement to experimental results in this regime.

  7. Evaluation of left ventricular structures in normotensive and hypertensive subjects by two-dimensional echocardiography: Anthropometric correlates in hypertension

    Directory of Open Access Journals (Sweden)

    Mr. Agbo Julius Amaechi

    2008-07-01

    Full Text Available This study was conducted with the objective to establish a nomogram for some left ventricular structures and their alterations in hypertension. Correlations between left ventricular structures and anthropometric variables in hypertension were also established. A sample of 320 normotensive and 80 hypertensive subjects were studied. Echocardiograhic end diastolic diameter, posterior wall thickness and septal wall thickness were obtained. Subject height, weight, age and blood pressures were obtained. Blood pressures were measured in sitting position. The values of left ventricular mass (LVM, left ventricular mass index (LVMI and left relative wall thickness (RWT were computed. Parametric tests were conducted. Tests were two tailed with P < 0.05 indicating statistical significance. Normal values of left ventricular structures were established; LVM: 63.72g – 336.18g, LVMI: 38.16g/m – 222.64g/m, and RWT: 0.25 – 0.52. Significant differences (P < 0.05 were established in LVM, LVMI and RWT between normotensive and hypertensive subjects. Positive and significant correlations were noted between these variables and systolic blood pressure in hypertensive subjects. A simple linear regression of RWT on Body surface area gives RWT = - 0.058 BSA + 0.475 in normotensive subjects. Normal values of left ventricular structures and a linear regression model have been established which could be used in the assessment of morbidity in hypertension.

  8. Two dimensional Coupled Eulerian Lagrangian (CEL) model for banded structure prediction in friction stir welding with trigonal tool

    Science.gov (United States)

    Tongne, A.; Robe, H.; Desrayaud, C.; Jahazi, M.; Feulvarch, E.

    2016-10-01

    A finite element model has been developed by means of a coupled Eulerian-Lagrangian approach. The banded structure which is related to the periodical material deposition is predicted in two dimensions as the experimental investigation shows that, during FSW with trigonal tool, the material flow operates mainly in the welded plates plan.

  9. Structure and magnetic properties of the two-dimensional ferrimagnet (NEt4)[[Mn(salen)]2Fe(CN)6]: investigation of magnetic anisotropy on a single crystal.

    Science.gov (United States)

    Miyasaka, Hitoshi; Ieda, Hidenori; Matsumoto, Naohide; Sugiura, Ken-ichi; Yamashita, Masahiro

    2003-06-02

    The title compound, (NEt(4))[[Mn(salen)](2)Fe(CN)(6)] (1), was synthesized via a 1:1 reaction of [Mn(salen)(H(2)O)]ClO(4) with (NEt(4))(3)[Fe(CN)(6)] in a methanol/ethanol medium (NEt(4)(+) = tetraethylammonium cation, salen(2)(-) = N,N'-ethylenebis(salicylidene)iminate). The two-dimensional layered structure of 1 was revealed by X-ray crystallographic analysis: 1 crystallizes in monoclinic space group P2(1)/c with cell dimensions of a = 12.3660(8) A, b = 15.311(1) A, c = 12.918(1) A, beta = 110.971(4) degrees, Z = 2 and is isostructural to the previously synthesized compound, (NEt(4))[[Mn(5-Clsalen)](2)Fe(CN)(6)] (5-Clsalen(2-) = N,N'-ethylenebis(5-chlorosalicylidene)iminate; Miyasaka, H.; Matsumoto, N.; Re, N.; Gallo, E.; Floriani, C. Inorg. Chem. 1997, 36, 670). The Mn ion is surrounded by an equatorial salen quadridentate ligand and two axial nitrogen atoms from the [Fe(CN)(6)](3-) unit, the four Fe[bond]CN groups of which coordinate to the Mn ions of [Mn(salen)](+) units, forming a two-dimensional network having [[bond]Mn[bond]NC[bond]Fe[bond]CN[bond

  10. A two-dimensional Riemann solver with self-similar sub-structure - Alternative formulation based on least squares projection

    Science.gov (United States)

    Balsara, Dinshaw S.; Vides, Jeaniffer; Gurski, Katharine; Nkonga, Boniface; Dumbser, Michael; Garain, Sudip; Audit, Edouard

    2016-01-01

    Just as the quality of a one-dimensional approximate Riemann solver is improved by the inclusion of internal sub-structure, the quality of a multidimensional Riemann solver is also similarly improved. Such multidimensional Riemann problems arise when multiple states come together at the vertex of a mesh. The interaction of the resulting one-dimensional Riemann problems gives rise to a strongly-interacting state. We wish to endow this strongly-interacting state with physically-motivated sub-structure. The self-similar formulation of Balsara [16] proves especially useful for this purpose. While that work is based on a Galerkin projection, in this paper we present an analogous self-similar formulation that is based on a different interpretation. In the present formulation, we interpret the shock jumps at the boundary of the strongly-interacting state quite literally. The enforcement of the shock jump conditions is done with a least squares projection (Vides, Nkonga and Audit [67]). With that interpretation, we again show that the multidimensional Riemann solver can be endowed with sub-structure. However, we find that the most efficient implementation arises when we use a flux vector splitting and a least squares projection. An alternative formulation that is based on the full characteristic matrices is also presented. The multidimensional Riemann solvers that are demonstrated here use one-dimensional HLLC Riemann solvers as building blocks. Several stringent test problems drawn from hydrodynamics and MHD are presented to show that the method works. Results from structured and unstructured meshes demonstrate the versatility of our method. The reader is also invited to watch a video introduction to multidimensional Riemann solvers on http://www.nd.edu/~dbalsara/Numerical-PDE-Course.

  11. Evidence for Intramolecular Antiparallel Beta-Sheet Structure in Alpha-Synuclein Fibrils from a Combination of Two-Dimensional Infrared Spectroscopy and Atomic Force Microscopy

    NARCIS (Netherlands)

    Roeters, Steven J.; Iyer, Aditya; Pletikapic, Galja; Kogan, Vladimir; Subramaniam, Vinod; Woutersen, Sander

    2017-01-01

    The aggregation of the intrinsically disordered protein alpha-synuclein (αS) into amyloid fibrils is thought to play a central role in the pathology of Parkinson’s disease. Using a combination of techniques (AFM, UV-CD, XRD, and amide-I 1D- and 2D-IR spectroscopy) we show that the structure of αS fi

  12. Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    Science.gov (United States)

    van Agthoven, Maria A.; Barrow, Mark P.; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A.; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B.

    2015-12-01

    Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules.

  13. Effect of the initial plasma parameters on the structure of the current sheets developing in two-dimensional magnetic fields with a null line

    Science.gov (United States)

    Ostrovskaya, G. V.; Frank, A. G.; Bogdanov, S. Yu.

    2010-07-01

    The effect of the initial plasma parameters on the structure of the plasma of the current sheets that form in two-dimensional magnetic fields with a null line is studied by holographic interferometry. The evolution of the plasma sheets that develop in an initial low-density plasma, where a gas is mainly ionized by a pulse current passing through the plasma and initiating the formation of a current sheet, has been comprehensively studied for the first time. At the early stage of evolution, the spatial structure of such a plasma sheet differs substantially from the classic current sheets forming in a dense plasma. Nevertheless, extended plasma sheets with similar parameters form eventually irrespective of the initial plasma density.

  14. Crystallization of a Two-Dimensional Hydrogen-Bonded Molecular Assembly: Evolution of the Local Structure Resolved by Atomic Force Microscopy.

    Science.gov (United States)

    Patera, Laerte L; Liu, Xunshan; Mosso, Nico; Decurtins, Silvio; Liu, Shi-Xia; Repp, Jascha

    2017-08-28

    Structures of the aromatic N-heterocyclic hexaazatriphenylene (HAT) molecular synthon obtained by surface-assisted self-assembly were analyzed with sub-Å resolution by means of noncontact atomic force microscopy (nc-AFM), both in the kinetically trapped amorphous state and in the thermodynamically stable crystalline phase. These results reveal how the crystallization governs the length scale of the network order for non-flexible molecular species without affecting the local bonding schemes. The capability of nc-AFM to accurately resolve structural relaxations will be highly relevant for the characterization of vitreous two-dimensional supramolecular materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Cancellation exponent and multifractal structure in two-dimensional magnetohydrodynamics: direct numerical simulations and Lagrangian averaged modeling.

    Science.gov (United States)

    Graham, Jonathan Pietarila; Mininni, Pablo D; Pouquet, Annick

    2005-10-01

    We present direct numerical simulations and Lagrangian averaged (also known as alpha model) simulations of forced and free decaying magnetohydrodynamic turbulence in two dimensions. The statistics of sign cancellations of the current at small scales is studied using both the cancellation exponent and the fractal dimension of the structures. The alpha model is found to have the same scaling behavior between positive and negative contributions as the direct numerical simulations. The alpha model is also able to reproduce the time evolution of these quantities in free decaying turbulence. At large Reynolds numbers, an independence of the cancellation exponent with the Reynolds numbers is observed.

  16. Two Dimensional Organometal Halide Perovskite Nanorods with Tunable Optical Properties.

    Science.gov (United States)

    Aharon, Sigalit; Etgar, Lioz

    2016-05-11

    Organo-metal halide perovskite is an efficient light harvester in photovoltaic solar cells. Organometal halide perovskite is used mainly in its "bulk" form in the solar cell. Confined perovskite nanostructures could be a promising candidate for efficient optoelectronic devices, taking advantage of the superior bulk properties of organo-metal halide perovskite, as well as the nanoscale properties. In this paper, we present facile low-temperature synthesis of two-dimensional (2D) lead halide perovskite nanorods (NRs). These NRs show a shift to higher energies in the absorbance and in the photoluminescence compared to the bulk material, which supports their 2D structure. X-ray diffraction (XRD) analysis of the NRs demonstrates their 2D nature combined with the tetragonal 3D perovskite structure. In addition, by alternating the halide composition, we were able to tune the optical properties of the NRs. Fast Fourier transform, and electron diffraction show the tetragonal structure of these NRs. By varying the ligands ratio (e.g., octylammonium to oleic acid) in the synthesis, we were able to provide the formation mechanism of these novel 2D perovskite NRs. The 2D perovskite NRs are promising candidates for a variety of optoelectronic applications, such as light-emitting diodes, lasing, solar cells, and sensors.

  17. Two-dimensional quantum repeaters

    Science.gov (United States)

    Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.

    2016-11-01

    The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.

  18. Two-dimensional multiferroics in monolayer group IV monochalcogenides

    Science.gov (United States)

    Wang, Hua; Qian, Xiaofeng

    2017-03-01

    Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that two-dimensional (2D) monolayer group IV monochalcogenides including GeS, GeSe, SnS, and SnSe are a class of 2D semiconducting multiferroics with giant strongly-coupled in-plane spontaneous ferroelectric polarization and spontaneous ferroelastic lattice strain that are thermodynamically stable at room temperature and beyond, and can be effectively modulated by elastic strain engineering. Their optical absorption spectra exhibit strong in-plane anisotropy with visible-spectrum excitonic gaps and sizable exciton binding energies, rendering the unique characteristics of low-dimensional semiconductors. More importantly, the predicted low domain wall energy and small migration barrier together with the coupled multiferroic order and anisotropic electronic structures suggest their great potentials for tunable multiferroic functional devices by manipulating external electrical, mechanical, and optical field to control the internal responses, and enable the development of four device concepts including 2D ferroelectric memory, 2D ferroelastic memory, and 2D ferroelastoelectric nonvolatile photonic memory as well as 2D ferroelectric excitonic photovoltaics.

  19. Soluble, Exfoliated Two-Dimensional Nanosheets as Excellent Aqueous Lubricants.

    Science.gov (United States)

    Zhang, Wenling; Cao, Yanlin; Tian, Pengyi; Guo, Fei; Tian, Yu; Zheng, Wen; Ji, Xuqiang; Liu, Jingquan

    2016-11-30

    Dispersion in water of two-dimensional (2D) nanosheets is conducive to their practical applications in fundamental science communities due to their abundance, low cost, and ecofriendliness. However, it is difficult to achieve stable aqueous 2D material suspensions because of the intrinsic hydrophobic properties of the layered materials. Here, we report an effective and economic way of producing various 2D nanosheets (h-BN, MoS2, MoSe2, WS2, and graphene) as aqueous dispersions using carbon quantum dots (CQDs) as exfoliation agents and stabilizers. The dispersion was prepared through a liquid phase exfoliation. The as-synthesized stable 2D nanosheets based dispersions were characterized by UV-vis, HRTEM, AFM, Raman, XPS, and XRD. The solutions based on CQD decorated 2D nanosheets were utilized as aqueous lubricants, which realized a friction coefficient as low as 0.02 and even achieved a superlubricity under certain working conditions. The excellent lubricating properties were attributed to the synergetic effects of the 2D nanosheets and CQDs, such as good dispersion stability and easy-sliding interlayer structure. This work thus proposes a novel strategy for the design and preparation of high-performance water based green lubricants.

  20. Reversible structural transformations in a Co(II)-based 2D dynamic metal-organic framework showing selective solvent uptake

    Indian Academy of Sciences (India)

    Sanjog S Nagarkar; Sujit K Ghosh

    2015-04-01

    A Co(II)-based two-dimensional (2D) metal-organic framework (MOF) [Co(pca)(bdc)0.5(H2O)2] (1) {pca = pyrazine carboxylic acid, and bdc = 1,4-benzene dicarboxylic acid} was synthesized solvothermally. The compound loses the coordinated lattice water molecules on heating which is accompanied by solidstate structural transformation to yield dehydrated phase [Co(pca)(bdc)0.5] (1′). The hydrated structure can be regained by exposing 1′ to water vapour (1′′). These reversible solid-state structural transformations are accompanied by a visible colour change in the material. The dehydrated compound also shows highly selective water uptake over other solvents like MeOH, EtOH, THF. This selective water uptake can be ascribed to the high affinity of polar water molecule towards the open metal site created on heating. The present report provides important insights into the reversible structural transformations observed due to variable coordination number of the central metal ion and transformability of the framework. The selective water uptake over alcohols along with visible colour change demonstrates the potential of the present compound in bio-alcohol purification.

  1. Mobility anisotropy of two-dimensional semiconductors

    CERN Document Server

    Lang, Haifeng; Liu, Zhirong

    2016-01-01

    The carrier mobility of anisotropic two-dimensional (2D) semiconductors under longitudinal acoustic (LA) phonon scattering was theoretically studied with the deformation potential theory. Based on Boltzmann equation with relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was deduced, which shows that the influence of effective mass to the mobility anisotropy is larger than that of deformation potential constant and elastic modulus. Parameters were collected for various anisotropic 2D materials (black phosphorus, Hittorf's phosphorus, BC$_2$N, MXene, TiS$_3$, GeCH$_3$) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio was overestimated in the past.

  2. Direct growth of 2D and 3D graphene nano-structures over large glass substrates by tuning a sacrificial Cu-template layer

    Science.gov (United States)

    Marchena, Miriam; Song, Zhen; Senaratne, Wageesha; Li, Connie; Liu, Xinyuan; Baker, David; Canet Ferrer, Josep; Mazumder, Prantik; Soni, Kamal; Lee, Robert; Pruneri, Valerio

    2017-06-01

    We demonstrate direct growth of two-dimensional (2D) and three-dimensional (3D) graphene structures on glass substrates. By starting from catalytic copper nanoparticles of different densities and using chemical vapour deposition (CVD) techniques, different 2D and 3D morphologies can be obtained, including graphene sponge-like, nano-ball and conformal graphene structures. More important, we show that the initial copper template can be completely removed via sublimation during CVD and, if need be, subsequent metal etching. This allows optical transmissions close to the bare substrate, which, combined with electrical conductivity make the proposed technique very attractive for creating graphene with high surface to volume ratio for a wide variety of applications, including antiglare display screens, solar cells, light-emitting diodes, gas and biological plasmonic sensors.

  3. A new integral representation for quasiperiodic fields and its application to two-dimensional band structure calculations

    CERN Document Server

    Barnett, Alex H

    2010-01-01

    In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they discretize the interface alone and can achieve high order accuracy in complicated geometries. In order to handle the quasi-periodic conditions which are imposed on the unit cell, the free-space Green's function is typically replaced by its quasi-periodic cousin. Unfortunately, the quasi-periodic Green's function diverges for families of parameter values that correspond to resonances of the empty unit cell. Here, we bypass this problem by means of a new integral representation that relies on the free-space Green's function alone, adding auxiliary layer potentials on the boundary of the unit cell itself. An important aspect of our method is that by carefully including a few neighboring images, the densities may be kept smooth and convergence rapid. This framework results in an integr...

  4. Spatial structure of correlations around a quantum impurity at the edge of a two-dimensional topological insulator

    Science.gov (United States)

    Allerdt, Andrew; Feiguin, A. E.; Martins, G. B.

    2017-07-01

    We calculate exact zero-temperature real-space properties of a substitutional magnetic impurity coupled to the edge of a zigzag silicenelike nanoribbon. Using a Lanczos transformation [A. Allerdt et al., Phys. Rev. B 91, 085101 (2015), 10.1103/PhysRevB.91.085101] and the density-matrix renormalization-group method, we obtain a realistic description of stanene and germanene that includes the bulk and the edges as boundary one-dimensional helical metallic states. Our results for substitutional impurities indicate that the development of a Kondo state and the structure of the spin correlations between the impurity and the electron spins in the metallic edge state depend considerably on the location of the impurity. More specifically, our real-space resolution allows us to conclude that there is a sharp distinction between the impurity being located at a crest or a trough site at the zigzag edge. We also observe, as expected, that the spin correlations are anisotropic due to an emerging Dzyaloshinskii-Moriya interaction with the conduction electrons and that the edges scatter from the impurity and "snake" or circle around it. Our estimates for the Kondo temperature indicate that there is a very weak enhancement due to the presence of spin-orbit coupling.

  5. Simulated annealing applied to two-dimensional low-beta reduced magnetohydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Chikasue, Y., E-mail: chikasue@ppl.k.u-tokyo.ac.jp [Graduate School of Frontier Sciences, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa-shi, Chiba 277-8561 (Japan); Furukawa, M., E-mail: furukawa@damp.tottori-u.ac.jp [Graduate School of Engineering, Tottori University, Minami 4-101, Koyama-cho, Tottori-shi, Tottori 680-8552 (Japan)

    2015-02-15

    The simulated annealing (SA) method is applied to two-dimensional (2D) low-beta reduced magnetohydrodynamics (R-MHD). We have successfully obtained stationary states of the system numerically by the SA method with Casimir invariants preserved. Since the 2D low-beta R-MHD has two fields, the relaxation process becomes complex compared to a single field system such as 2D Euler flow. The obtained stationary state can have fine structure. We have found that the fine structure appears because the relaxation processes are different between kinetic energy and magnetic energy.

  6. First-principles investigation of the effect of charged unit cell on the electronic structure of two-dimensional MoS2

    Science.gov (United States)

    Shekaari, Ashkan; Abolhassani, Mohammad Reza; Lashgari, Hamed

    2017-01-01

    Density-functional theory has been applied to investigate the effect of charged unit cell on the structural and electronic properties of two-dimensional MoS2 within PBE-GGA. The charge of the unit cell of the monolayer changes from zero to n = ± 4 e with e the absolute value of the elementary electric charge. Variations of the lattice constant, Mo-S bond length, S-Mo-S bond angle, total energy, exchange and correlation contributions, and the Fermi level versus n have been calculated quantitatively, indicating decrease in the stability of the atomic structure of the monolayer with increase in the absolute value of n. It is found that the Fermi level for two-dimensional MoS2 is a function of both the number of electrons in allowed states and the inverse of the volume of the unit cell. The electronic properties of each monolayer have been also calculated via examining the related electronic band structure and density of states. Results broadly support the view that the effect of charged unit cell (n =+ e to - 4 e) on the electronic properties of MoS2 monolayer is manifested in the form of semiconductor-to-metal transition in addition to the Fermi level shift. It is also verified that as the negative charge of the unit cell increases from n = - e to - 4 e , there is an ever-increasing trend in the total number of allowed electronic states at the Fermi level, implying a direct correlation between electrical conductivity and the value of n in a way that the more negative the charge of the unit cell, the higher the electrical conductivity of the monolayer.

  7. A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties.

    Science.gov (United States)

    Liu, Yang; Feng, Yong Lan; Fu, Wei Wei

    2016-04-01

    From the viewpoint of crystal engineering, the construction of crystalline polymeric materials requires a rational choice of organic bridging ligands for the self-assembly process. Multicarboxylate ligands are of particular interest due to their strong coordination activity towards metal ions, as well as their various coordination modes and versatile conformations. The structural chemistry of dicarboxylate-based coordination polymers of transition metals has been developed through the grafting of N-containing organic linkers into carboxylate-bridged transition metal networks. A new luminescent two-dimensional zinc(II) coordination polymer containing bridging 2,2-dimethylsuccinate and 4,4'-bipyridine ligands, namely poly[[aqua(μ2-4,4'-bipyridine-κ(2)N:N')bis(μ3-2,2-dimethylbutanedioato)-κ(4)O(1),O(1'):O(4):O(4');κ(5)O(1):O(1),O(4):O(4),O(4')-dizinc(II)] dihydrate], {[Zn2(C6H8O4)2(C10H8N2)(H2O)]·2H2O}n, has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction and elemental, IR and thermogravimetric analyses. In the structure, the 2,2-dimethylsuccinate ligands link linear tetranuclear Zn(II) subunits into one-dimensional chains along the c axis. 4,4'-Bipyridine acts as a tethering ligand expanding these one-dimensional chains into a two-dimensional layered structure. Hydrogen-bonding interactions between the water molecules (both coordinated and free) and carboxylate O atoms strengthen the packing of the layers. Furthermore, the luminescence properties of the complex were investigated. The compound exhibits a blue photoluminescence in the solid state at room temperature and may be a good candidate for potential hybrid inorganic-organic photoactive materials.

  8. Existence of shocklets in a two-dimensional supersonic mixing layer and its influence on the flow structure

    Institute of Scientific and Technical Information of China (English)

    CAO; Wei

    2001-01-01

    gravitational lens sys-tem 2016 + 112, Astrophys. J. , 1985, 294: 66.[39]Aldcroft, T. L. , Bechtold, J. , Elvis, M. , MglI absorption in a sample of 56 steep-spectrum quasars, Astrophys. J. Sup-pl., 1994, 93: 1.[40]Verib-Getty, M. P., Veron, P., A catalogue of quasars and active nuclei, ESO Scientific Report, 1996, 17: 1.[41]Hewitt, A., Burbidge, G., A revised and updated catalog of quas-stellar objects, Astrophys, J. Suppl., 1993, 87: 451.[42]Rudy, R. J., Cohan, R. D., Ake, T. B., Ultraviolet and optical spectrophyotometry of the seyfert 1.8 galaxy Markarian 609, Astrophys. J., 1988, 332: 172.[43]Bregrmamn, T. S. , Pastoriza, M. G. , On the metal abundance of low-activity galactic nuclei, Astrophys. J. , 1989, 347:195.[44]Malkan, M. A., Oke, J. B., IUE observations of Markarian 3 and 6: reddening and nonstellar continuum, Astrophys. J. ,1983, 265: 92.[45]Oke, J. B., Goodrich, R. W., IUE and VISUAl spectrophotometry of Markarian 9, Markarian 10, and 3C 390.3, Astro-phys. J., 1981, 243: 445.[46]Crenshaw, D. M. , Peterson, B. M. , Korista, K. , Ultraviolet and optical spectra of high-ionization Seyfert galaxies with nar-row lines, AJ, 1991, 101: 1202.[47]Voit, G. M. , Shull, J. M. , Begelman, M. C. , Broad, variable absorption lines in the Seyfert Galaxy NGC 3516-probing the structure of the emission-line regions, Astrophys. J., 1987, 316: 573.[48]Reichert, G. A., Rodriguez-Pascual, P. M. , Alloin, D. et al., Steps toward determination of the size and structure of the broad-line region in active galactic, Astrophys. J., 1994, 425: 582.[49]Setti, G., Woltjer, L., Hubble Diagram for Quasars, Astrophys. J., 1973, 181: L61.[50]Baldwin, J. A. , Burke, W. L. , Gaskell, M. G. et al. , Relative quasar luminosities determined from emission line strengths, Nature, 1978, 273: 431.[51]Bressan, A., Chiosi, C., Fagotto, F., Spectrophotometric evolution of elliptical galaxies, Astrophys. J. Suppl., 1994, 94:63.[52]Scappa, R. , Urry, C. M

  9. Observation of the variations of the domain structure of a spontaneous electric field in a two-dimensional electron system under microwave irradiation

    Science.gov (United States)

    Dorozhkin, S. I.; Umansky, V.; von Klitzing, K.; Smet, J. H.

    2016-11-01

    It has been found on a sample of the GaAs/AlGaAs heterostructure with the two-dimensional electron system that different configurations of domains of a spontaneous electric field are possible within one microwave- induced state with the resistance tending to zero. Transitions between such configurations are observed at the variation of the radiation power and magnetic field. In the general case, the configuration of domains is more complicated than existing models. The fragment of the distribution of the electric field in the sample for one of the observed configurations is in agreement with the rhombic domain structure considered by I. G. Finkler and B. I. Halperin, Phys. Rev. B 79, 085315 (2009).

  10. Electronic band structure and Fermi surfaces of the quasi-two-dimensional monophosphate tungsten bronze, P4W12O44

    Science.gov (United States)

    Paul, S.; Ghosh, A.; Sato, T.; Sarma, D. D.; Takahashi, T.; Wang, E.; Greenblatt, M.; Raj, S.

    2014-02-01

    The electronic structure of quasi-two-dimensional monophosphate tungsten bronze, P4W12O44, has been investigated by high-resolution angle-resolved photoemission spectroscopy and density functional theoretical calculations. Experimental electron-like bands around \\Gamma point and Fermi surfaces have similar shapes as predicted by calculations. Fermi surface mapping at different temperatures shows a depletion of density of states at low temperature in certain flat portions of the Fermi surfaces. These flat portions of the Fermi surfaces satisfy the partial nesting condition with incommensurate nesting vectors q_1 and q_2 , which leads to the formation of charge density waves in this phosphate tungsten bronzes. The setting up of charge density wave in these bronzes can well explain the anomaly observed in its transport properties.

  11. Acousto-optical interaction of surface acoustic and optical waves in a two-dimensional phoxonic crystal hetero-structure cavity.

    Science.gov (United States)

    Ma, Tian-Xue; Zou, Kui; Wang, Yue-Sheng; Zhang, Chuanzeng; Su, Xiao-Xing

    2014-11-17

    Phoxonic crystal is a promising material for manipulating sound and light simultaneously. In this paper, we theoretically demonstrate the propagation of acoustic and optical waves along the truncated surface of a two-dimensional square-latticed phoxonic crystal. Further, a phoxonic crystal hetero-structure cavity is proposed, which can simultaneously confine surface acoustic and optical waves. The interface motion and photoelastic effects are taken into account in the acousto-optical coupling. The results show obvious shifts in eigenfrequencies of the photonic cavity modes induced by different phononic cavity modes. The symmetry of the phononic cavity modes plays a more important role in the single-phonon exchange process than in the case of the multi-phonon exchange. Under the same deformation, the frequency shift of the photonic transverse electric mode is larger than that of the transverse magnetic mode.

  12. Patterning the two dimensional electron gas at the LaAlO3/SrTiO3 interface by structured Al capping

    Science.gov (United States)

    Zhou, Y.; Wang, P.; Luan, Z. Z.; Shi, Y. J.; Jiang, S. W.; Ding, H. F.; Wu, D.

    2017-04-01

    We demonstrate an approach for patterning a quasi-two dimensional electron gas (q-2DEG) at the interface of LaAlO3 (LAO) and SrTiO3 (STO) utilizing a structured Al capping layer. The capping of Al enables the formation of q-2DEG at the interface of 1-3 unit cells (uc) of LAO on STO, which was originally insulating before capping. The properties of the q-2DEG induced by the Al capping layer are essentially the same as those of q-2DEG without Al. Therefore, we can pattern q-2DEG by simply patterning the Al film on LAO (2 or 3 uc)/STO using a one-step liftoff process. Our approach circumvents the difficulty of direct patterning of oxide materials and provides a simple and robust patterning method for future device applications based on complex oxide interfaces.

  13. Subband Structure of a Two-Dimensional Electron Gas Formed at the Polar Surface of the Strong Spin-Orbit Perovskite KTaO3

    Energy Technology Data Exchange (ETDEWEB)

    King, P.D.C.

    2012-03-01

    We demonstrate the formation of a two-dimensional electron gas (2DEG) at the (100) surface of the 5d transition-metal oxide KTaO{sub 3}. From angle-resolved photoemission, we find that quantum confinement lifts the orbital degeneracy of the bulk band structure and leads to a 2DEG composed of ladders of subband states of both light and heavy carriers. Despite the strong spin-orbit coupling, we find no experimental signatures of a Rashba spin splitting, which has important implications for the interpretation of transport measurements in both KTaO{sub 3}- and SrTiO{sub 3}-based 2DEGs. The polar nature of the KTaO{sub 3}(100) surface appears to help mediate formation of the 2DEG as compared to non-polar SrTiO{sub 3}(100).

  14. Formation of proto-cluster: a virialized structure from gravo-turbulent collapse II. A two-dimensional analytical model for rotating and accreting system

    CERN Document Server

    Lee, Yueh-Ning

    2016-01-01

    Most stars are born in the gaseous proto-cluster environment. The knowledge of this intermediate stage gives more accurate constraints on star formation characteristics. We demonstrate that a virialized globally supported structure, in which star formation happens, is formed out of a collapsing molecular cloud, and derive a mapping from the parent cloud parameters to the proto-cluster to predict its properties, with a view to confront analytical calculations with observations and simulations. The virial theorem is decomposed into two dimensions to account for the rotation and the flattened geometry. Equilibrium is found by balancing rotation, turbulence and self-gravity, while turbulence is maintained by accretion driving and dissipates in one crossing time. The angular momentum and the accretion rate of the proto-cluster are estimated from the parent cloud properties. The two-dimensional virial model predicts the size and velocity dispersion given the mass of the proto-cluster and that of the parent cloud. T...

  15. Generalized non-separable two-dimensional Dammann encoding method

    Science.gov (United States)

    Yu, Junjie; Zhou, Changhe; Zhu, Linwei; Lu, Yancong; Wu, Jun; Jia, Wei

    2017-01-01

    We generalize for the first time, to the best of our knowledge, the Dammann encoding method into non-separable two-dimensional (2D) structures for designing various pure-phase Dammann encoding gratings (DEGs). For examples, three types of non-separable 2D DEGs, including non-separable binary Dammann vortex gratings, non-separable binary distorted Dammann gratings, and non-separable continuous-phase cubic gratings, are designed theoretically and demonstrated experimentally. Correspondingly, it is shown that 2D square arrays of optical vortices with topological charges proportional to the diffraction orders, focus spots shifting along both transversal and axial directions with equal spacings, and Airy-like beams with controllable orientation for each beam, are generated in symmetry or asymmetry by these three DEGs, respectively. Also, it is shown that a more complex-shaped array of modulated beams could be achieved by this non-separable 2D Dammann encoding method, which will be a big challenge for those conventional separable 2D Dammann encoding gratings. Furthermore, the diffractive efficiency of the gratings can be improved around ∼10% when the non-separable structure is applied, compared with their conventional separable counterparts. Such improvement in the efficiency should be of high significance for some specific applications.

  16. Analysis of the horizontal two-dimensional near-surface structure of a winter tornadic vortex using high-resolution in situ wind and pressure measurements

    Science.gov (United States)

    Kato, Ryohei; Kusunoki, Kenichi; Sato, Eiichi; Mashiko, Wataru; Inoue, Hanako Y.; Fujiwara, Chusei; Arai, Ken-ichiro; Nishihashi, Masahide; Saito, Sadao; Hayashi, Syugo; Suzuki, Hiroto

    2015-06-01

    The horizontal two-dimensional near-surface structure of a tornadic vortex within a winter storm was analyzed. The tornadic vortex was observed on 10 December 2012 by the high-resolution in situ observational linear array of wind and pressure sensors (LAWPS) system in conjunction with a high-resolution Doppler radar. The 0.1 s maximum wind speed and pressure deficit near the ground were recorded as 35.3 m s-1 and -3.8 hPa, respectively. The horizontal two-dimensional distributions of the tornadic vortex wind and pressure were retrieved by the LAWPS data, which provided unprecedented observational detail on the following important features of the near-surface structure of the tornadic vortex. Asymmetric convergent inflow toward the vortex center existed. Total wind speed was strong to the right and rear side of the translational direction of the vortex and weak in the forward part of the vortex possibly because of the strong convergent inflow in that region. The tangential wind speed profile of the vortex was better approximated using a modified Rankine vortex rather than the Rankine vortex both at 5 m above ground level (agl) and 100 m agl, and other vortex models (Burgers-Rott vortex and Wood-White vortex) were also compared. The cyclostrophic wind balance was violated in the core radius R0 and outside the core radius in the forward sector; however, it was held with a relatively high accuracy of approximately 14% outside the core of the vortex in the rearward sector (from 2 R0 to 5 R0) near the ground.

  17. Application of a quantitative structure retention relationship approach for the prediction of the two-dimensional gas chromatography retention times of polycyclic aromatic sulfur heterocycle compounds.

    Science.gov (United States)

    Gieleciak, Rafal; Hager, Darcy; Heshka, Nicole E

    2016-03-11

    Information on the sulfur classes present in petroleum is a key factor in determining the value of refined products and processing behavior in the refinery. A large part of the sulfur present is included in polycyclic aromatic sulfur heterocycles (PASHs), which in turn are difficult to desulfurize. Furthermore, some PASHs are potentially more mutagenic and carcinogenic than polycyclic aromatic hydrocarbons, PAHs. All of this calls for improved methods for the identification and quantification of individual sulfur species. Recent advances in analytical techniques such as comprehensive two-dimensional gas chromatography (GC×GC) have enabled the identification of many individual sulfur species. However, full identification of individual components, particularly in virgin oil fractions, is still out of reach as standards for numerous compounds are unavailable. In this work, a method for accurately predicting retention times in GC×GC using a QSRR (quantitative structure retention relationship) method was very helpful for the identification of individual sulfur compounds. Retention times for 89 saturated, aromatic, and polyaromatic sulfur-containing heterocyclic compounds were determined using two-dimensional gas chromatography. These retention data were correlated with molecular descriptors generated with CODESSA software. Two independent QSRR relationships were derived for the primary as well as the secondary retention characteristics. The predictive ability of the relationships was tested by using both independent sets of compounds and a cross-validation technique. When the corresponding chemical standards are unavailable, the equations developed for predicting retention times can be used to identify unknown chromatographic peaks by matching their retention times with those of sulfur compounds of known molecular structure.

  18. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    Science.gov (United States)

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-01

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]rad H2O (1), [M(norfH)(bpdc)]rad H2O (M=Cd (2) and Mn (3)), [Mn2(cfH)(odpa)(H2O)3]rad 0.5H2O (4), [Co2(norfH)(bpta)(μ2-H2O)(H2O)2]rad H2O (5) and [Co3(saraH)2(Hbpta)2(H2O)4]rad 9H2O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4'-biphenyldicarboxylate, odpa=4,4'-oxydiphthalate, bpta=3,3',4,4'-biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {M(COO)}nn+ chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed.

  19. A matrix structured LED backlight system with 2D-DHT local dimming method

    Science.gov (United States)

    Liu, Jia; Li, Yang; Du, Sidan

    To reduce the number of the drivers in the conventional local dimming method for LCDs, a novel LED backlight local dimming system is proposed in this paper. The backlight of this system is generated by 2D discrete Hadamard transform and its matrix structured LED modules. Compared with the conventional 2D local dimming method, the proposed method costs much fewer drivers but with little degradation.

  20. Laser fabrication of 2D and 3D metal nanoparticle structures and arrays.

    Science.gov (United States)

    Kuznetsov, A I; Kiyan, R; Chichkov, B N

    2010-09-27

    A novel method for fabrication of 2D and 3D metal nanoparticle structures and arrays is proposed. This technique is based on laser-induced transfer of molten metal nanodroplets from thin metal films. Metal nanoparticles are produced by solidification of these nanodroplets. The size of the transferred nanoparticles can be controllably changed in the range from 180 nm to 1500 nm. Several examples of complex 2D and 3D microstructures generated form gold nanoparticles are demonstrated.

  1. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    He, Jiang-Hong [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Xiao, Dong-Rong, E-mail: xiaodr98@yahoo.com.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Luo, Qun-Li, E-mail: qlluo@swu.edu.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Wang, En-Bo, E-mail: wangeb889@nenu.edu.cn [Key Laboratory of Polyoxometalate Science of Ministry of Education, Department of Chemistry, Northeast Normal University, Changchun 130024 (China)

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  2. The two dimensional fold test in paleomagnetism using ipython notebook

    Science.gov (United States)

    Setiabudidaya, Dedi; Piper, John D. A.

    2016-01-01

    One aspect of paleomagnetic analysis prone to controversy is the result of the fold test used to evaluate the age of a magnetisation component relative to the age of a structural event. Initially, the fold test was conducted by comparing the Fisherian precision parameter (k) to results from different limbs of a fold structure before and after tilt adjustment. To accommodate synfolding magnetisation, the tilt correction can be performed in stepwise fashion to both limbs simultaneously, here called one dimensional (1D) fold test. The two dimensional (2D) fold test described in this paper is carried out by applying stepwise tilt adjustment to each limb of the fold separately. The rationale for this is that tilts observed on contrasting limbs of deformed structure may not be synchronous or even belong to the same episode of deformation. A program for the procedure is presented here which generates two dimensional values of the k-parameter visually presented in contoured form. The use of ipython notebook enables this 2D fold test to be performed interactively and yield a more precise evaluation than the primitive 1D fold test.

  3. Nonlocal bottleneck effect in two-dimensional turbulence

    CERN Document Server

    Biskamp, D; Schwarz, E

    1998-01-01

    The bottleneck pileup in the energy spectrum is investigated for several two-dimensional (2D) turbulence systems by numerical simulation using high-order diffusion terms to amplify the effect, which is weak for normal diffusion. For 2D magnetohydrodynamic (MHD) turbulence, 2D electron MHD (EMHD) turbulence and 2D thermal convection, which all exhibit direct energy cascades, a nonlocal behavior is found resulting in a logarithmic enhancement of the spectrum.

  4. Tailoring the Structure of Two-Dimensional Self-Assembled Nanoarchitectures Based on NiII–Salen Building Blocks

    DEFF Research Database (Denmark)

    Viciano-Chumillas, Marta; Li, Dongzhe; Smogunov, Alexander

    2014-01-01

    -butyl) is presented. Their electronic structure and self-assembly was studied. The organic ligands of the salen complexes are functionalized with peripheral carboxylic groups for driving molecular self-assembly through hydrogen bonding. In addition, other substituents, that is, tert-butyl and diamine bridges (2......, which remain unchanged. Scanning tunneling microscopy (STM) shows that the three complexes self-assemble into three different 2D nanoarchitectures at the solid–liquid interface on graphite. Two structures are porous and one is close-packed. These structures are stabilized by hydrogen bonds in one...

  5. New structural information on a humic acid from two-dimensional 1H-13C correlation solid-state nuclear magnetic resonance.

    Science.gov (United States)

    Mao, J D; Xing, B; Schmidt-Rohr, K

    2001-05-15

    New information on the chemical structure of a peat humic acid has been obtained using a series of two-dimensional 1H-13C heteronuclear correlation solid-state NMR (HETCOR) experiments with different contact times and with spectral editing by dipolar dephasing and 13C transverse relaxation filtering. Carbon-bonded methyl groups (C-CH3) are found to be near both aliphatic and O-alkyl but not aromatic groups. The spectra prove that most OCH3 groups are connected directly with the aromatic rings, as is typical in lignin. As a result, about one-third of the aromatic C-O groups is not phenolic C-OH but C-OCH3. Both protonated and unprotonated anomeric O-C-O carbons are identified in the one- and two-dimensional spectra. COO groups are found predominantly in OCHn-COO environments, but some are also bonded to aromatic rings and aliphatic groups. All models of humic acids in the literature lack at least some of the features observed here. Compositional heterogeneity was studied by introducing 1H spin diffusion into the HETCOR experiment. Comparison with data for a synthetic polymer, polycarbonate, indicates that the separation between O-alkyl and aromatic groups in the humic acid is less than 1.5 nm. However, transverse 13C relaxation filtering under 1H decoupling reveals heterogeneity on a nanometer scale, with the slow-relaxing component being rich in lignin-like aromatic-C-O-CH3 moieties and poor in COO groups.

  6. Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy

    Science.gov (United States)

    Nishida, Jun; Tamimi, Amr; Fei, Honghan; Pullen, Sonja; Ott, Sascha; Cohen, Seth M.; Fayer, Michael D.

    2014-01-01

    The structural elasticity of metal–organic frameworks (MOFs) is a key property for their functionality. Here, we show that 2D IR spectroscopy with pulse-shaping techniques can probe the ultrafast structural fluctuations of MOFs. 2D IR data, obtained from a vibrational probe attached to the linkers of UiO-66 MOF in low concentration, revealed that the structural fluctuations have time constants of 7 and 670 ps with no solvent. Filling the MOF pores with dimethylformamide (DMF) slows the structural fluctuations by reducing the ability of the MOF to undergo deformations, and the dynamics of the DMF molecules are also greatly restricted. Methodology advances were required to remove the severe light scattering caused by the macroscopic-sized MOF particles, eliminate interfering oscillatory components from the 2D IR data, and address Förster vibrational excitation transfer. PMID:25512539

  7. Observational Tracking of the 2D Structure of Coronal Mass Ejections Between the Sun and 1 AU

    CERN Document Server

    Savani,; Davies,; A., J; Davis,; J., C; Shiota,; D.,; Rouillard,; P., A; Owens,; J., M; Kusano,; K.,; Bothmer,; V.,; Bamford,; P., S; Lintott,; J., C; Smith,; A,

    2015-01-01

    The Solar TErrestrial RElations Observatory (STEREO) provides high cadence and high resolution images of the structure and morphology of coronal mass ejections (CMEs) in the inner heliosphere. CME directions and propagation speeds have often been estimated through the use of time-elongation maps obtained from the STEREO Heliospheric Imager (HI) data. Many of these CMEs have been identified by citizen scientists working within the SolarStormWatch project ( www.solarstormwatch.com ) as they work towards providing robust real-time identification of Earth-directed CMEs. The wide field of view of HI allows scientists to directly observe the two-dimensional (2D) structures, while the relative simplicity of time-elongation analysis means that it can be easily applied to many such events, thereby enabling a much deeper understanding of how CMEs evolve between the Sun and the Earth. For events with certain orientations, both the rear and front edges of the CME can be monitored at varying heliocentric distances (R) bet...

  8. Design of an LED chip structure with an integrated two-dimensional photonic crystal to enhance the light-extraction efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Won-Sik; Park, Si-Hyun [Yeungnam University, Gyeongsan (Korea, Republic of)

    2014-05-15

    We numerically simulated the light-extraction efficiency of light-emitting diodes (LEDs) with an integrated two-dimensional photonic crystal (PC) structure on the top surface in order to enhance light extraction. We considered InGaN-based LED chips with a typical emission wavelength of λ{sub o} = 460 nm and an emission wavelength inside the LED chip of λ = λ{sub 0}/n{sub GaN} , where n{sub GaN} is the refractive index of GaN. We used positive (relief) and negative (intaglio) patterns for the PC structures with square arrangements. The pattern period (Λ), width (d), and height (h) of the PC structure were varied systematically in the PC-LEDs; then the light-extraction efficiency of each PC-LED was simulated numerically using a three-dimensional finite-difference time-domain method to optimize the PC structure in terms of light extraction. The PC LED with a square pillar pattern with Λ ∼ 1.4λ, d ∼ 0.75Λ, and h ∼ 0.75Λ had the maximum light-extraction efficiency for positive patterns while the cylindrical hole pattern with Λ ∼ 1.2λ, d ∼ 0.5Λ, and h ∼ 0.5Λ had the maximum light-extraction efficiency for negative patterns.

  9. Synthesis and Structure of A Novel Quasi-Two Dimensional Organic-inorganic Hybrid Coordination Polymer:{[Cu(en)2][Ag2I4]}n

    Institute of Scientific and Technical Information of China (English)

    SUN Ling-Guo; LI Hao-Hong; CHEN Zhi-Rong; HUANG Chang-Cang; ZHAO Bin; LI Jun-Qian

    2006-01-01

    A novel coordination polymer {[Cu(en)2][Ag2I4]}n (en = ethylenediamine) was synthesized by the reaction of NaAgI2 and Cu(en)2(NO3)2·2H2O at room temperature with pH = 6.0, and the structure was characterized by X-ray single-crystal diffraction. It crystallizes in monoclinic, space group C2/m, with a=10.646(2), b = 13.304(3), c = 6.8445(14)(A), β = 118.95(3)°, C4H16N4CuAg2I4, Mr = 907.10, V = 848.3(4)(A)3, Z = 2, Dc = 3.551 g/cm3, F(000) = 806, μ(MoKα) = 10.787 mm(1, the final R1 = 0.0256 and wR2 = 0.0654 for 900 observed reflections with I > 2σ(I). According to structural analysis, the title compound consists of template cation [Cu(en)2]2+ and inorganic chain [Ag2I4]n2-. The polymeric negative chain [Ag2I4]n2- is built up from pairs of AgI4 tetrahedron by sharing one edge. Through N-H…I hydrogen-bonding interactions, the whole structure represents a quasi-two dimensional arrangement. Electrostatic attraction exists between organic cations and inorganic chains, leading to a so-called organic-inorganic hybrid structure.

  10. Single-Fluid 2D Magnetohydrodynamic Simulation of Solar Wind Structure in Comparison to Ulysses Observations

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Two dimensional Magnetohydrodynamic (MHD) equations with and without the momentum addi-tion respectively have been used to simulate the solar wind structure on the meridian plane. The results show that far away from the sun it isn't solar magnetic field that induces the concave solar wind speed. Instead, there may be the fast speed streamer driven by the momentum addition and an interface between high and low speed streamers. The interaction between high and low speed streamers causes the sharp division.

  11. Perspective: Probing 2-D magnetic structures in a 3-D world

    Directory of Open Access Journals (Sweden)

    A. J. Grutter

    2016-03-01

    Full Text Available Magnetic interfaces have been identified as promising systems upon which to base next-generation spintronic devices. In these nearly two-dimensional systems, deviations from bulk electronic structure and competition between nearly degenerate magnetic ground states allow the stabilization of widely tunable emergent properties. However, ever smaller length scales pose new challenges which must be overcome in order to understand and control magnetic properties at the atomic level. Using recent examples in oxide heterostructures and topological insulators, we discuss how combining techniques such as neutron scattering, X-ray scattering, X-ray spectroscopy, and transmission electron microscopy enables the probing of magnetism on the Angstrom scale.

  12. Oriented Two-Dimensional Porous Organic Cage Crystals.

    Science.gov (United States)

    Jiang, Shan; Song, Qilei; Massey, Alan; Chong, Samantha Y; Chen, Linjiang; Sun, Shijing; Hasell, Tom; Raval, Rasmita; Sivaniah, Easan; Cheetham, Anthony K; Cooper, Andrew I

    2017-08-01

    The formation of two-dimensional (2D) oriented porous organic cage crystals (consisting of imine-based tetrahedral molecules) on various substrates (such as silicon wafers and glass) by solution-processing is reported. Insight into the crystallinity, preferred orientation, and cage crystal growth was obtained by experimental and computational techniques. For the first time, structural defects in porous molecular materials were observed directly and the defect concentration could be correlated with crystal growth rate. These oriented crystals suggest potential for future applications, such as solution-processable molecular crystalline 2D membranes for molecular separations. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  13. Review—Two-Dimensional Layered Materials for Energy Storage Applications

    KAUST Repository

    Kumar, Pushpendra

    2016-07-02

    Rechargeable batteries are most important energy storage devices in modern society with the rapid development and increasing demand for handy electronic devices and electric vehicles. The higher surface-to-volume ratio two-dimensional (2D) materials, especially transition metal dichalcogenides (TMDCs) and transition metal carbide/nitrite generally referred as MXene, have attracted intensive research activities due to their fascinating physical/chemical properties with extensive applications. One of the growing applications is to use these 2D materials as potential electrodes for rechargeable batteries and electrochemical capacitors. This review is an attempt to summarize the research and development of TMDCs, MXenes and their hybrid structures in energy storage systems. (C) The Author(s) 2016. Published by ECS. All rights reserved.

  14. Halogen bonded two-dimensional supramolecul arassemblies studied by high resolution scanning tunneling microscopy

    Institute of Scientific and Technical Information of China (English)

    YANG XunYu; WANG Fang; CHEN QiuXia; WANG LiYan; WANG ZhiQiang

    2007-01-01

    We described the formation of self-organized two-dimensional (2D) assemblies of N-(2,3,5,6-tetrafluoro- 4-iodophenyl)hexadecylamine and 1-dodecyl-imidazole at the liquid/HOPG interface. The two-dimen- sional assemblies showed a fishbone-like pattern structure as revealed by high-resolution scanning tunneling microscopy. Although different interactions can drive the formation of 2D assemblies,as far as we know,this is the first report on halogen bond-driven 2D assemblies.

  15. Deep structure of Eastern part of Bandung Basin based on 2D resistivity structure

    Science.gov (United States)

    Harja, Asep

    2013-09-01

    Bandung basin is an intramontane basin located in West Java, extending from west to east along 35 km and north to south along 15 km distance, with elevation of 660-680 m. The plain in the eastern part is the basin center with lake deposit as primary sediment filling the basin. Investigation of the subsurface structure and thickness of the basin is the main topic in this research. Beside the deeper structure of the basin, the shallow structure is also very important to be revealed since human activities are concentrated in this part. The latter is supposed to explain phenomenon related to the flood and drought that frequently occur in the area. Controlled-source audio-frequency magneto telluric (CSAMT) is a highly effective electromagnetic (EM) method to deploy in this area. Its robustness toward electromagnetic noises related to human and industrial activities particularly in the eastern part of the basin is the strong point of this method. It uses a grounded horizontal electric dipole as artificial source of electromagnetic signal that ensures data with a high signal to noise (S/N) ratio. This method is capable to map subsurface resistivity structure with high sensitivity to resistivity contras and deeper penetration. 1D inversion scheme was used to the far-field component of CSAMT data (plane wave assumption) in order to obtain resistivity cross-sections that are more suitable with the basin's structure complexity. The results show that until the depth of more than 200 m, no high resistivity structure is found. This unlikely indicated the presence of volcanic rocks beneath the area. The subsurface resistivity distribution is dominated by tens of Om, indicating that the basement comprises deep marine sediment. In addition, clay lens are also indicated in the resulting resistivity structure. Based on 2D view of resistivity cross-sections based 1D inverted and 2D inversion, it is found that a low resistivity elongation extends in southeast-northwest direction at

  16. Recent advances in optoelectronic properties and applications of two-dimensional metal chalcogenides

    Science.gov (United States)

    Congxin, Xia; Jingbo, Li

    2016-05-01

    Since two-dimensional (2D) graphene was fabricated successfully, many kinds of graphene-like 2D materials have attracted extensive attention. Among them, the studies of 2D metal chalcogenides have become the focus of intense research due to their unique physical properties and promising applications. Here, we review significant recent advances in optoelectronic properties and applications of 2D metal chalcogenides. This review highlights the recent progress of synthesis, characterization and isolation of single and few layer metal chalcogenides nanosheets. Moreover, we also focus on the recent important progress of electronic, optical properties and optoelectronic devices of 2D metal chalcogenides. Additionally, the theoretical model and understanding on the band structures, optical properties and related physical mechanism are also reviewed. Finally, we give some personal perspectives on potential research problems in the optoelectronic characteristics of 2D metal chalcogenides and related device applications.

  17. Crystal structure and photoluminescence of a new two-dimensional Cd(II) coordination polymer based on 3-(carboxymethoxy)-2-naphthoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Zhi-Guo; Guo, Sheng-Nan; Miao, Jia-Qi; An, Miao [Jilin Normal Univ., College of Chemistry, Siping (China); Ministry of Education, Siping (China). Key Lab. of Preparation and Applications of Enviromental Friendly Materials

    2015-11-01

    A new Cd(II) coordination polymer, [Cd(CNA)]{sub n} (1) (H{sub 2}CNA = 3-(carboxymethoxy)-2-naphthoic acid), was hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. The crystals are monoclinic, space group P{sub 2}1/c with a = 16.9698(18), b = 7.8314(8), c = 8.9553(10) Aa, β = 100.657(2) {sup circle}, V = 1169.6(2) Aa{sup 3}, Z = 4, D{sub calcd.} = 2.03 g cm{sup -3}, μ(MoK{sub α}) = 1.9 mm{sup -1}, F(000) = 696 e, R = 0.0305, wR = 0.0784 for 172 refined parameters and 2285 data. Each CNA anion bridges three Cd(II) cations to give rise to a two-dimensional network structure. Topologically, if each CNA anion is regarded as a linker, and each Cd(II) atom considered as a 4-connected node, the structure is simplified as a 4-connected (4,4) network. The solid state photoluminescent properties of the compound were also studied at room temperature.

  18. On-Surface Synthesis of Two-Dimensional Covalent Organic Structures versus Halogen-Bonded Self-Assembly: Competing Formation of Organic Nanoarchitectures.

    Science.gov (United States)

    Peyrot, David; Silly, Fabien

    2016-05-24

    The competition between the on-surface synthesis of covalent nanoarchitectures and the self-assembly of star-shaped 1,3,5-Tris(4-iodophenyl)benzene molecules on Au(111) in vacuum is investigated using scanning tunneling microscopy above room temperature. The molecules form covalent polygonal nanoachitectures at the gold surface step edges and at the elbows of the gold reconstruction at low coverage. With coverage increasing two-dimensional halogen-bonded structures appear and grow on the surface terraces. Two different halogen-bonded nanoarchitectures are coexisting on the surface and hybrid covalent-halogen bonded structures are locally observed. At high coverage covalent nanoarchitectures are squeezed at the domain boundary of the halogen-bonded structures. The competitive growth between the covalent and halogen-bonded nanoarchitectures leads to formation of a two-layer film above one monolayer deposition. For this coverage, the covalent nanoarchitectures are propelled on top of the halogen-bonded first layer. These observations open up new opportunities for decoupling covalent nanoarchitectures from catalytically active and metal surfaces in vacuum.

  19. Structure-From-Motion in 3D Space Using 2D Lidars

    Directory of Open Access Journals (Sweden)

    Dong-Geol Choi

    2017-02-01

    Full Text Available This paper presents a novel structure-from-motion methodology using 2D lidars (Light Detection And Ranging. In 3D space, 2D lidars do not provide sufficient information for pose estimation. For this reason, additional sensors have been used along with the lidar measurement. In this paper, we use a sensor system that consists of only 2D lidars, without any additional sensors. We propose a new method of estimating both the 6D pose of the system and the surrounding 3D structures. We compute the pose of the system using line segments of scan data and their corresponding planes. After discarding the outliers, both the pose and the 3D structures are refined via nonlinear optimization. Experiments with both synthetic and real data show the accuracy and robustness of the proposed method.

  20. Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

    Science.gov (United States)

    Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

    2017-06-08

    Metal/insertion-MoS2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS2 interface are weakened due to weak interactions between the insertion and MoS2 layers, no gap states and negligible structural deformations for MoS2 layers. The Schottky barriers at metal/insertion-MoS2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS2 interfaces. All Sc/insertion-MoS2 interfaces exhibited ohmic characters. The Pt/BN-MoS2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS2 interfaces through 2D insertion materials.

  1. Designing 2D arrays for SHM of planar structures: a review

    Science.gov (United States)

    Stepinski, Tadeusz; Ambrozinski, Lukasz; Uhl, Tadeusz

    2013-04-01

    Monitoring structural integrity of large planar structures that aims at detecting and localizing impact or damage at any point of the structure requires normally a relatively dense network of uniformly distributed ultrasonic sensors. 2-D ultrasonic phased arrays, due to their beam-steering capability and all azimuth angle coverage are a very promising tool for structural health monitoring (SHM) of plate-like structures using Lamb waves (LW). Linear phased arrays that have been proposed for that purpose, produce mirrored image characterized by azimuth dependent resolution, which prevents unequivocal damage localization. 2D arrays do not have this drawback and they are even capable of mode selectivity when generating and receiving LWs. Performance of 2D arrays depends on their topology as well as the number of elements (transducers) used and their spacing in terms of wavelength. In this paper we propose a consistent methodology for three-step: theoretical, numerical and experimental investigation of a diversity of 2D array topologies in SHM applications. In the first step, the theoretical evaluation is performed using frequency-dependent structure transfer function (STF). STF that defines linear propagation of different LWs modes through the dispersive medium enables theoretical investigation of the particular array performance for a predefined tone-burst excitation signal. A dedicated software tool has been developed for the numerical evaluation of 2D array directional characteristics (beampattern) in a specific structure. The simulations are performed using local interaction simulation approach (LISA), implemented using NVIDIA CUDA graphical computation unit (GPU), which enables time-efficient 3D simulations of LWs propagation. Beampatterns of a 2D array can be to some extend evaluated analytically and using numerical simulations; in most cases, however, they require experimental verification. Using scanning laser vibrometer is proposed for that purpose, in a setup

  2. Two-dimensional incommensurately modulated structure of (Sr0.13Ca0. 87)2CoSi2O7 crystals.

    Science.gov (United States)

    Bagautdinov, B; Hagiya, K; Kusaka, K; Ohmasa, M; Iishi, K

    2000-10-01

    The incommensurate structure of (Sr(0.13)Ca(0.87))(2)CoSi(2)O(7) at room temperature has been determined from single-crystal X-ray diffraction data. The compound has a non-centrosymmetric tetragonal basic cell of a = 7.8743 (4) and c = 5.0417 (2) A with the space group P4;2(1)m. The refinements of the basic structure converged to R = 0.038 for 757 main reflections. The two-dimensional incommensurate structure is characterized by the wavevectors q(1) = 0.286 (3)(a* + b*) and q(2) = 0.286 (3)(-a* + b*), where a*, b* are the reciprocal lattice vectors of the basic structure. With the (3 + 2)-dimensional superspace group P(p4mg)(P4;2(1)(m)), the refinements converged to R = 0.071 for 1697 observed reflections (757 main and 940 satellite reflections). The structure is described in terms of displacement of the atoms, rotation, distortion of CoO(4) and SiO(4) tetrahedra, and the partial ordering of the Sr and Ca atoms accompanied with the modulation. Correlated evolution of these features throughout the crystal gives rise to various oxygen coordination around Ca/Sr. Comparison of the derived modulated structure to that of Ca(2)CoSi(2)O(7) clarified that the partial substitution of Ca by large alkaline-earth atoms such as Sr should decrease the distortion of the polyhedra around the cations.

  3. Comprehensive magnetotransport characterization of two dimensional electron gas in AlGaN/GaN high electron mobility transistor structures leading to the assessment of interface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Manna Kumari [Solid State Physics Laboratory, Lucknow Road, Timarpur, Delhi-110054 (India); Netaji Subhas Institute of Technology, Dwarka, New Delhi-110078 (India); Sharma, Rajesh K., E-mail: rksharma@sspl.drdo.in; Manchanda, Rachna; Bag, Rajesh K.; Muralidharan, Rangarajan [Solid State Physics Laboratory, Lucknow Road, Timarpur, Delhi-110054 (India); Thakur, Om Prakash [Netaji Subhas Institute of Technology, Dwarka, New Delhi-110078 (India)

    2014-09-15

    Magnetotransport in two distinct AlGaN/GaN HEMT structures grown by Molecular Beam Epitaxy (MBE) on Fe-doped templates is investigated using Shubnikov de-Haas Oscillations in the temperature range of 1.8–6 K and multicarrier fitting in the temperature range of 1.8–300 K. The temperature dependence of the two dimensional electron gas mobility is extracted from simultaneous multicarrier fitting of transverse and longitudinal resistivity as a function of magnetic field and the data is utilized to estimate contribution of interface roughness to the mobility and the corresponding transport lifetime. The quantum scattering time obtained from the analysis of Shubnikov de Haas Oscillations in transverse magnetoresistance along with the transport lifetime time were used to estimate interface roughness amplitude and lateral correlation length. The results indicate that the insertion of AlN over layer deposited prior to the growth of GaN base layer on Fe doped GaN templates for forming HEMT structures reduced the parallel conduction but resulted in an increase in interface roughness.

  4. Comprehensive magnetotransport characterization of two dimensional electron gas in AlGaN/GaN high electron mobility transistor structures leading to the assessment of interface roughness

    Directory of Open Access Journals (Sweden)

    Manna Kumari Mishra

    2014-09-01

    Full Text Available Magnetotransport in two distinct AlGaN/GaN HEMT structures grown by Molecular Beam Epitaxy (MBE on Fe-doped templates is investigated using Shubnikov de-Haas Oscillations in the temperature range of 1.8–6 K and multicarrier fitting in the temperature range of 1.8–300 K. The temperature dependence of the two dimensional electron gas mobility is extracted from simultaneous multicarrier fitting of transverse and longitudinal resistivity as a function of magnetic field and the data is utilized to estimate contribution of interface roughness to the mobility and the corresponding transport lifetime. The quantum scattering time obtained from the analysis of Shubnikov de Haas Oscillations in transverse magnetoresistance along with the transport lifetime time were used to estimate interface roughness amplitude and lateral correlation length. The results indicate that the insertion of AlN over layer deposited prior to the growth of GaN base layer on Fe doped GaN templates for forming HEMT structures reduced the parallel conduction but resulted in an increase in interface roughness.

  5. Broken Ergodicity in Two-Dimensional Homogeneous Magnetohydrodynamic Turbulence

    Science.gov (United States)

    Shebalin, John V.

    2010-01-01

    Two-dimensional (2-D) homogeneous magnetohydrodynamic (MHD) turbulence has many of the same qualitative features as three-dimensional (3-D) homogeneous MHD turbulence.The se features include several ideal invariants, along with the phenomenon of broken ergodicity. Broken ergodicity appears when certain modes act like random variables with mean values that are large compared to their standard deviations, indicating a coherent structure or dynamo.Recently, the origin of broken ergodicity in 3-D MHD turbulence that is manifest in the lowest wavenumbers was explained. Here, a detailed description of the origins of broken ergodicity in 2-D MHD turbulence is presented. It will be seen that broken ergodicity in ideal 2-D MHD turbulence can be manifest in the lowest wavenumbers of a finite numerical model for certain initial conditions or in the highest wavenumbers for another set of initial conditions.T he origins of broken ergodicity in ideal 2-D homogeneous MHD turbulence are found through an eigen analysis of the covariance matrices of the modal probability density functions.It will also be shown that when the lowest wavenumber magnetic field becomes quasi-stationary, the higher wavenumber modes can propagate as Alfven waves on these almost static large-scale magnetic structures

  6. Forensic potential of comprehensive two-dimensional gas chromatography

    NARCIS (Netherlands)

    Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.

    2016-01-01

    In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o

  7. Forensic potential of comprehensive two-dimensional gas chromatography

    NARCIS (Netherlands)

    Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.

    2016-01-01

    In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o

  8. Computation of self-field hysteresis losses in conductors with helicoidal structure using a 2D finite element method

    Science.gov (United States)

    Stenvall, A.; Siahrang, M.; Grilli, F.; Sirois, F.

    2013-04-01

    It is well known that twisting current-carrying conductors helps to reduce their coupling losses. However, the impact of twisting on self-field hysteresis losses has not been as extensively investigated as that on the reduction of coupling losses. This is mostly because the reduction of coupling losses has been an important issue to tackle in the past, and it is not possible to consider twisting within the classical two-dimensional (2D) approaches for the computation of self-field hysteresis losses. Recently, numerical codes considering the effect of twisting in continuous symmetries have appeared. For general three-dimensional (3D) simulations, one issue is that no robust, widely accepted and easy to obtain model for expressing the relationship between the current density and the electric field is available. On the other hand, we can consider that in these helicoidal structures currents flow only along the helicoidal trajectories. This approach allows one to use the scalar power-law for superconductor resistivity and makes the eddy current approach to a solution of a hysteresis loss problem feasible. In this paper we use the finite element method to solve the eddy current model in helicoidal structures in 2D domains utilizing the helicoidal symmetry. The developed tool uses the full 3D geometry but allows discretization which takes advantage of the helicoidal symmetry to reduce the computational domain to a 2D one. We utilize in this tool the non-linear power law for modelling the resistivity in the superconducting regions and study how the self-field losses are influenced by the twisting of a 10-filament wire. Additionally, in the case of high aspect ratio tapes, we compare the results computed with the new tool and a one-dimensional program based on the integral equation method and developed for simulating single layer power cables made of ReBCO coated conductors. Finally, we discuss modelling issues and present open questions related to helicoidal structures

  9. Synthesis, crystal structure, and proton conductivity of one-dimensional, two-dimensional, and three-dimensional zirconium phosphonates based on glyphosate and glyphosine.

    Science.gov (United States)

    Taddei, Marco; Donnadio, Anna; Costantino, Ferdinando; Vivani, Riccardo; Casciola, Mario

    2013-10-21

    The reaction of two small phosphono-amino acids based on glycine (glyphosine and glyphosate) with zirconium under mild conditions led to the attainment of three related zirconium derivatives with 1D, 2D, and 3D structures of formulas ZrF[H3(O3PCH2NHCH2COO)2] (1), Zr3H8[(O3PCH2)2NCH2COO]4·2H2O (2), and Zr[(O3PCH2)(HO3PCH2)NHCH2COOH]2·2H2O (3), respectively, whose structures were solved by X-ray powder and single-crystal diffraction data. The glyphosate derivative has 1D ribbon-type structure whereas the dimensionality of the glyphosine-derived materials (2D and 3D) can be tuned by changing the synthesis conditions. The low-dimensional compounds (1 and 2) can be directly produced in the form of nanoparticles with different size and morphology whereas the 3D compound (3) has a higher crystallinity and can be obtained as single crystals with a prismatic shape. The different structural dimensionality reflects the shape and size of the crystals and also differently affects the proton conductivity properties, measured over a wide range of temperature at 95% relative humidity. Their high thermal and chemical stability together with the small size may promote their use as fillers for polymeric electrolyte membranes for fuel cells applications.

  10. TreePM Method for Two-Dimensional Cosmological Simulations

    Indian Academy of Sciences (India)

    Suryadeep Ray

    2004-09-01

    We describe the two-dimensional TreePM method in this paper. The 2d TreePM code is an accurate and efficient technique to carry out large two-dimensional N-body simulations in cosmology. This hybrid code combines the 2d Barnes and Hut Tree method and the 2d Particle–Mesh method. We describe the splitting of force between the PM and the Tree parts. We also estimate error in force for a realistic configuration. Finally, we discuss some tests of the code.

  11. 2-D Row-Column CMUT Arrays with an Open-Grid Support Structure

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lehrmann; Dahl-Petersen, Christian; Jensen, Jørgen Arendt

    2013-01-01

    support structure on top of the CMUT plates, omitting the need for through wafer vias. A 5 mask process is used to produce 2-D row-column addressed CMUT arrays with 74 nm vacuum gaps, single crystalline silicon plates with optional lithographically defined mass loads, 120 V pull-in voltage, and high...

  12. 2D vario-scale representations based on real 3D structure

    NARCIS (Netherlands)

    Suba, R.; Meijers, B.M.; Van Oosterom, P.J.M.

    2013-01-01

    This paper focuses on 3D data structures supporting an alternative approach for creating 2D vario-scale maps. The smooth animated zooming functionality have lead us to investigate a volumetric representation of gradually changing vario-scale objects. In this paper, the principle of vario-scale maps

  13. Efficient 2-D Gray-Scale Dilations and Erosions with Arbitrary Flat Structuring Elements

    NARCIS (Netherlands)

    Urbach, Erik R.; Wilkinson, Michael H.F.

    2006-01-01

    An efficient algorithm is presented for the computation of gray-scale morphological operations with 2-D structuring elements (S.E.). The required computing time is independent of the image content and of the number of gray levels used. For circular S.E.s, it always outperforms the only existing comp

  14. Efficient 2-D Grayscale Morphological Transformations With Arbitrary Flat Structuring Elements

    NARCIS (Netherlands)

    Urbach, Erik R.; Wilkinson, Michael H.F.

    2008-01-01

    An efficient algorithm is presented for the computation of grayscale morphological operations with arbitrary 2-D flat structuring elements (S.E.). The required computing time is independent of the image content and of the number of gray levels used. It always outperforms the only existing comparable

  15. Identifying important structural features of ionic liquid stationary phases for the selective separation of nonpolar analytes by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Zhang, Cheng; Ingram, Isaiah C; Hantao, Leandro W; Anderson, Jared L

    2015-03-20

    A series of dicationic ionic liquid (IL)-based stationary phases were evaluated as secondary columns in comprehensive two-dimensional gas chromatography (GC×GC) for the separation of aliphatic hydrocarbons from kerosene. In order to understand the role that structural features of ILs play on the selectivity of nonpolar analytes, the solvation parameter model was used to probe the solvation properties of the IL-based stationary phases. It was observed that room temperature ILs containing long free alkyl side chain substituents and long linker chains between the two cations possess less cohesive forces and exhibited the highest resolution of aliphatic hydrocarbons. The anion component of the IL did not contribute significantly to the overall separation, as similar selectivities toward aliphatic hydrocarbons were observed when examining ILs with identical cations and different anions. In an attempt to further examine the separation capabilities of the IL-based GC stationary phases, columns of the best performing stationary phases were prepared with higher film thickness and resulted in enhanced selectivity of aliphatic hydrocarbons.

  16. Theory of two-dimensional transformations

    OpenAIRE

    Kanayama, Yutaka J.; Krahn, Gary W.

    1998-01-01

    The article of record may be found at http://dx.doi.org/10.1109/70.720359 Robotics and Automation, IEEE Transactions on This paper proposes a new "heterogeneous" two-dimensional (2D) transformation group ___ to solve motion analysis/planning problems in robotics. In this theory, we use a 3×1 matrix to represent a transformation as opposed to a 3×3 matrix in the homogeneous formulation. First, this theory is as capable as the homogeneous theory, Because of the minimal size, its implement...

  17. High-pressure crystal structure of the non-linear optical compound BiB(3)O(6) from two-dimensional powder diffraction data.

    Science.gov (United States)

    Dinnebier, R E; Hinrichsen, B; Lennie, A; Jansen, M

    2009-02-01

    Our recently proposed method for automatic detection, calibration and evaluation of Debye-Scherrer ellipses using pattern-recognition techniques and advanced signal filtering was applied to the two-dimensional powder diffraction data of the non-ferroelectric, non-centrosymmetric non-linear optical (NLO) compound alpha-BiB(3)O(6) as a function of pressure. At ambient conditions, alpha-BiB(3)O(6) crystallizes in the space group C2 (phase I). In the pressure range between P = 6.09 and 6.86 GPa, it exhibits a first-order phase transition into a structure with the space group C1 (P1) [phase II at P = 8.34 GPa: a = 7.4781 (6), b = 3.9340 (4), c = 6.2321 (6) A, alpha = 93.73 (1), beta = 102.93 (1), gamma = 90.76 (1) degrees , and V = 178.24 (3) A(3)]. Non-linear compression behaviour over the entire pressure range is observed, which can be described by two Vinet relations in the ranges from P = 0.0 to 6.09 GPa, and from P = 6.86 to 11.6 GPa. The extrapolated bulk moduli of the high-pressure phases were determined to be K(0) = 38 (1) GPa for phase I, and K(0) = 114 (10) GPa for phase II. The crystal structures of both phases were refined against X-ray powder diffraction data measured at several pressures between 0.0 and 11.6 GPa. The structural phase transition of alpha-BiB(3)O(6) is mainly characterized by a reorientation of the [BO(3)](3-) triangles, the [BO(4)](5-) tetrahedra and the lone electron pair which is localized at Bi(3+), in order to optimize crystal packing.

  18. Watching Silica's Dance: Imaging the Structure and Dynamics of the Atomic (Re-) Arrangements in 2D Glass

    Science.gov (United States)

    Muller, David

    2014-03-01

    Even though glasses are almost ubiquitous--in our windows, on our iPhones, even on our faces--they are also mysterious. Because glasses are notoriously difficult to study, basic questions like: ``How are the atoms arranged? Where and how do glasses break?'' are still under contention. We use aberration corrected transmission electron microscopy (TEM) to image the atoms in a new two-dimensional phase of silica glass - freestanding it becomes the world's thinnest pane of glass at only 3-atoms thick, and take a unique look into these questions. Using atom-by-atom imaging and spectroscopy, we are able to reconstruct the full structure and bonding of this 2D glass and identify it as a bi-tetrahedral layer of SiO2. Our images also strikingly resemble Zachariasen's original cartoon models of glasses, drawn in 1932. As such, our work realizes an 80-year-old vision for easily understandable glassy systems and introduces promising methods to test theoretical predictions against experimental data. We image atoms in the disordered solid and track their motions in response to local strain. We directly obtain ring statistics and pair distribution functions that span short-, medium-, and long-range order, and test these against long-standing theoretical predictions of glass structure and dynamics. We use the electron beam to excite atomic rearrangements, producing surprisingly rich and beautiful videos of how a glass bends and breaks, as well as the exchange of atoms at a solid/liquid interface. Detailed analyses of these videos reveal a complex dance of elastic and plastic deformations, phase transitions, and their interplay. These examples illustrate the wide-ranging and fundamental materials physics that can now be studied at atomic-resolution via transmission electron microscopy of two-dimensional glasses. Work in collaboration with: S. Kurasch, U. Kaiser, R. Hovden, Q. Mao, J. Kotakoski, J. S. Alden, A. Shekhawat, A. A. Alemi, J. P. Sethna, P. L. McEuen, A.V. Krasheninnikov

  19. Numerical study of roll motion of a 2-D floating structure in viscous flow

    Institute of Scientific and Technical Information of China (English)

    Lifen CHEN; Liang SUN; Jun ZANG; A J HILLIS; A R PLUMMER

    2016-01-01

    In the present study, an open source CFD tool, OpenFOAM has been extended and applied to investigate roll motion of a 2-D rectangular barge induced by nonlinear regular waves in viscous flow. Comparisons of the present OpenFOAM results with published potential-flow solutions and experimental data have indicated that the newly extended OpenFOAM model is very capable of accurate modelling of wave interaction with freely rolling structures. The wave-induced roll motions, hydrodynamic forces on the barge, velocities and vorticity fields in the vicinity of the structure in the presence of waves have been investigated to reveal the real physics involved in the wave induced roll motion of a 2-D floating structure. Parametric analysis has been carried out to examine the effect of structure dimension and body draft on the roll motion.

  20. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2016-11-01

    This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification.

  1. Synthesis of two-dimensional materials by selective extraction.

    Science.gov (United States)

    Naguib, Michael; Gogotsi, Yury

    2015-01-20

    CONSPECTUS: Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds to form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from

  2. Contribution to Structural Elucidation: Behaviours of Substructures Partially Defined from 2D NMR

    Institute of Scientific and Technical Information of China (English)

    EPOUHE, Celine; FAN, Bo-Tao; YUAN, Shen-Gang; PANAYE, A.; DOUCET, J. P

    2003-01-01

    Structural elucidation (automatic determination of the structure of a molecule from its spectra) is frequently hampered by combinatorial explosion when trying to assemble the identified substructures. We devised a new method which can avoid this pitfall by a systematic examination of allowed 13C chemical shifts ranges for all substructures chemically possible and combined with a progressive pruning thanks to neighbouring relationships appearing from 2D NMR. This method is explained by a detailed example.

  3. Two-dimensional materials for novel liquid separation membranes

    Science.gov (United States)

    Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng

    2016-08-01

    Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as

  4. A Ternary Solvent Method for Large-Sized Two-Dimensional Perovskites.

    Science.gov (United States)

    Chen, Junnian; Gan, Lin; Zhuge, Fuwei; Li, Huiqiao; Song, Jizhong; Zeng, Haibo; Zhai, Tianyou

    2017-02-20

    Recent reports demonstrate that a two-dimensional (2D) structural characteristic can endow perovskites with both remarkable photoelectric conversion efficiency and high stability, but the synthesis of ultrathin 2D perovskites with large sizes by facile solution methods is still a challenge. Reported herein is the controlled growth of 2D (C4 H9 NH3 )2 PbBr4 perovskites by a chlorobenzene-dimethylformide-acetonitrile ternary solvent method. The critical factors, including solvent volume ratio, crystallization temperature, and solvent polarity on the growth dynamics were systematically studied. Under optimum reaction condition, 2D (C4 H9 NH3 )2 PbBr4 perovskites, with the largest lateral dimension of up to 40 μm and smallest thickness down to a few nanometers, were fabricated. Furthermore, various iodine doped 2D (C4 H9 NH3 )2 PbBrx I4-x perovskites were accessed to tune the optical properties rationally.

  5. Metal-organic extended 2D structures: Fe-PTCDA on Au(111)

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Lucia; Caillard, Renaud; MartIn-Gago, Jose A; Mendez, Javier [Grupo ESISNA, Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas (CSIC), c/ Sor Juana Ines de la Cruz 3, Campus de Cantoblanco, E-28049 Madrid (Spain); Pelaez, Samuel; Serena, Pedro A, E-mail: jmendez@icmm.csic.es [Grupo de Teoria y Simulacion de Materiales, Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas (CSIC), c/ Sor Juana Ines de la Cruz 3, Campus de Cantoblanco, E-28049 Madrid (Spain)

    2010-07-30

    In this work we combine organic molecules of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) with iron atoms on an Au (111) substrate in ultra-high vacuum conditions at different temperatures. By means of scanning tunnelling microscopy (STM) we study the formation of stable 2D metal-organic structures. We show that at certain growth conditions (temperature, time and coverage) stable 'ladder-like' nanostructures are obtained. These are the result of connecting together two metal-organic chains through PTCDA molecules placed perpendicularly, as rungs of a ladder. These structures, stable up to 450 K, can be extended in a 2D layer covering the entire surface and presenting different rotation domains. STM images at both polarities show a contrast reversal between the two molecules at the unit cell. By means of density functional theory (DFT) calculations, we confirm the stability of these structures and that their molecular orbitals are placed separately at the different molecules.

  6. TUNABLE Band Structures of 2d Multi-Atom Archimedean-Like Phononic Crystals

    Science.gov (United States)

    Xu, Y. L.; Chen, C. Q.; Tian, X. G.

    2012-06-01

    Two dimensional multi-atom Archimedean-like phononic crystals (MAPCs) can be obtained by adding "atoms" at suitable positions in primitive cells of traditional simple lattices. Band structures of solid-solid and solid-air MAPCs are computed by the finite element method in conjunction with the Bloch theory. For the solid-solid system, our results show that the MAPCs can be suitably designed to split and shift band gaps of the corresponding traditional simple phononic crystal (i.e., with only one scatterer inside a primitive cell). For the solid-air system, the MAPCs have more and wider band gaps than the corresponding traditional simple phononic crystal. Numerical calculations for both solid-solid and solid-air MAPCs show that the band gap of traditional simple phononic crystal can be tuned by appropriately adding "atoms" into its primitive cell.

  7. Structure elucidation of organic compounds from natural sources using 1D and 2D NMR techniques

    Science.gov (United States)

    Topcu, Gulacti; Ulubelen, Ayhan

    2007-05-01

    In our continuing studies on Lamiaceae family plants including Salvia, Teucrium, Ajuga, Sideritis, Nepeta and Lavandula growing in Anatolia, many terpenoids, consisting of over 50 distinct triterpenoids and steroids, and over 200 diterpenoids, several sesterterpenoids and sesquiterpenoids along with many flavonoids and other phenolic compounds have been isolated. For Salvia species abietanes, for Teucrium and Ajuga species neo-clerodanes for Sideritis species ent-kaurane diterpenes are characteristic while nepetalactones are specific for Nepeta species. In this review article, only some interesting and different type of skeleton having constituents, namely rearranged, nor- or rare diterpenes, isolated from these species will be presented. For structure elucidation of these natural diterpenoids intensive one- and two-dimensional NMR techniques ( 1H, 13C, APT, DEPT, NOE/NOESY, 1H- 1H COSY, HETCOR, COLOC, HMQC/HSQC, HMBC, SINEPT) were used besides mass and some other spectroscopic methods.

  8. The Rare Two-Dimensional Materials with Dirac Cones

    OpenAIRE

    Wang, Jinying; Deng, Shibin; Liu, Zhongfan; Liu, Zhirong

    2014-01-01

    Inspired by the great development of graphene, more and more works have been conducted to seek new two-dimensional (2D) materials with Dirac cones. Although 2D Dirac materials possess many novel properties and physics, they are rare compared with the numerous 2D materials. To provide explanation for the rarity of 2D Dirac materials as well as clues in searching for new Dirac systems, here we review the recent theoretical aspects of various 2D Dirac materials, including graphene, silicene, ger...

  9. Fabrication of 2D and 3D photonic structures using laser lithography

    Science.gov (United States)

    Gaso, P.; Jandura, D.; Pudis, D.

    2016-12-01

    In this paper we demonstrate possibilities of three-dimensional (3D) printing technology based on two photon polymerization. We used three-dimensional dip-in direct-laser-writing (DLW) optical lithography to fabricate 2D and 3D optical structures for optoelectronics and for optical sensing applications. DLW lithography allows us use a non conventional way how to couple light into the waveguide structure. We prepared ring resonator and we investigated its transmission spectral characteristic. We present 3D inverse opal structure from its design to printing and scanning electron microscope (SEM) imaging. Finally, SEM images of some prepared photonic crystal structures were performed.

  10. Comparative study between 2D and 3D FEM techniques in single bolt, single lap, composite bolted joints for space structures

    Directory of Open Access Journals (Sweden)

    Calin-Dumitru COMAN

    2017-09-01

    Full Text Available Two-dimensional and three-dimensional finite element models have been developed to study the effects of bolt-hole clearance on the mechanical behavior of bolted composites (graphite/epoxy joints in space structures. The type of the studied joint was single bolt, single lap, and the geometry is a standard type for these kind of composite joints space structures. In this study, two approaches, 2D (linear analysis and 3D (nonlinear analysis were developed and the results were compared to numerical and experiment results from literature. The contact between the parts affecting the accuracy and efficiency of the models is detailed. The model’s capability to predict the three-dimensional effects such as secondary bending and through-thickness variations of the stress and stain tensor fields is presented.

  11. Two-dimensional graphene analogues for biomedical applications.

    Science.gov (United States)

    Chen, Yu; Tan, Chaoliang; Zhang, Hua; Wang, Lianzhou

    2015-05-07

    The increasing demand of clinical biomedicine and fast development of nanobiotechnology has substantially promoted the generation of a variety of organic/inorganic nanosystems for biomedical applications. Biocompatible two-dimensional (2D) graphene analogues (e.g., nanosheets of transition metal dichalcogenides, transition metal oxides, g-C3N4, Bi2Se3, BN, etc.), which are referred to as 2D-GAs, have emerged as a new unique family of nanomaterials that show unprecedented advantages and superior performances in biomedicine due to their unique compositional, structural and physicochemical features. In this review, we summarize the state-of-the-art progress of this dynamically developed material family with a particular focus on biomedical applications. After the introduction, the second section of the article summarizes a range of synthetic methods for new types of 2D-GAs as well as their surface functionalization. The subsequent section provides a snapshot on the use of these biocompatible 2D-GAs for a broad spectrum of biomedical applications, including therapeutic (photothermal/photodynamic therapy, chemotherapy and synergistic therapy), diagnostic (fluorescent/magnetic resonance/computed tomography/photoacoustic imaging) and theranostic (concurrent diagnostic imaging and therapy) applications, especially on oncology. In addition, we briefly present the biosensing applications of these 2D-GAs for the detection of biomacromolecules and their in vitro/in vivo biosafety evaluations. The last section summarizes some critical unresolved issues, possible challenges/obstacles and also proposes future perspectives related to the rational design and construction of 2D-GAs for biomedical engineering, which are believed to promote their clinical translations for benefiting the personalized medicine and human health.

  12. Two-dimensional signal analysis

    CERN Document Server

    Garello, René

    2010-01-01

    This title sets out to show that 2-D signal analysis has its own role to play alongside signal processing and image processing.Concentrating its coverage on those 2-D signals coming from physical sensors (such as radars and sonars), the discussion explores a 2-D spectral approach but develops the modeling of 2-D signals and proposes several data-oriented analysis techniques for dealing with them. Coverage is also given to potential future developments in this area.

  13. Acoustic resonances in two-dimensional radial sonic crystal shells

    Science.gov (United States)

    Torrent, Daniel; Sánchez-Dehesa, José

    2010-07-01

    Radial sonic crystals (RSC) are fluidlike structures infinitely periodic along the radial direction that verify the Bloch theorem and are possible only if certain specially designed acoustic metamaterials with mass density anisotropy can be engineered (see Torrent and Sánchez-Dehesa 2009 Phys. Rev. Lett. 103 064301). A comprehensive analysis of two-dimensional (2D) RSC shells is reported here. A given shell is in fact a circular slab with a central cavity. These finite crystal structures contain Fabry-Perot-like resonances and modes strongly localized at the central cavity. Semi-analytical expressions are developed to obtain the quality factors of the different resonances, their symmetry features and their excitation properties. The results reported here are completely general and can be extended to equivalent 3D spherical shells and to their photonic counterparts.

  14. Crosslinked structurally-tuned polymeric ionic liquids as stationary phases for the analysis of hydrocarbons in kerosene and diesel fuels by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Zhang, Cheng; Park, Rodney A; Anderson, Jared L

    2016-04-01

    Structurally-tuned ionic liquids (ILs) have been previously applied as the second dimension column in comprehensive two-dimensional gas chromatography (GC×GC) and have demonstrated high selectivity in the separation of individual aliphatic hydrocarbons from other aliphatic hydrocarbons. However, the maximum operating temperatures of these stationary phases limit the separation of analytes with high boiling points. In order to address this issue, a series of polymeric ionic liquid (PIL)-based stationary phases were prepared in this study using imidazolium-based IL monomers via in-column free radical polymerization. The IL monomers were functionalized with long alkyl chain substituents to provide the needed selectivity for the separation of aliphatic hydrocarbons. Columns were prepared with different film thicknesses to identify the best performing stationary phase for the separation of kerosene. The bis[(trifluoromethyl)sulfonyl]imide ([NTf2](-))-based PIL stationary phase with larger film thickness (0.28μm) exhibited higher selectivity for aliphatic hydrocarbons and showed a maximum allowable operating temperature of 300°C. PIL-based stationary phases containing varied amount of IL-based crosslinker were prepared to study the effect of the crosslinker on the selectivity and thermal stability of the resulting stationary phase. The optimal resolution of aliphatic hydrocarbons was achieved when 50% (w/w) of crosslinker was incorporated into the PIL-based stationary phase. The resulting stationary phase exhibited good selectivity for different groups of aliphatic hydrocarbons even after being conditioned at 325°C. Finally, the crosslinked PIL-based stationary phase was compared with SUPELCOWAX 10 and DB-17 columns for the separation of aliphatic hydrocarbons in diesel fuel. Better resolution of aliphatic hydrocarbons was obtained when employing the crosslinked PIL-based stationary phase as the second dimension column.

  15. Energetic, spatial, and momentum character of the electronic structure at a buried interface: The two-dimensional electron gas between two metal oxides

    Science.gov (United States)

    Nemšák, S.; Conti, G.; Gray, A. X.; Palsson, G. K.; Conlon, C.; Eiteneer, D.; Keqi, A.; Rattanachata, A.; Saw, A. Y.; Bostwick, A.; Moreschini, L.; Rotenberg, E.; Strocov, V. N.; Kobayashi, M.; Schmitt, T.; Stolte, W.; Ueda, S.; Kobayashi, K.; Gloskovskii, A.; Drube, W.; Jackson, C. A.; Moetakef, P.; Janotti, A.; Bjaalie, L.; Himmetoglu, B.; Van de Walle, C. G.; Borek, S.; Minar, J.; Braun, J.; Ebert, H.; Plucinski, L.; Kortright, J. B.; Schneider, C. M.; Balents, L.; de Groot, F. M. F.; Stemmer, S.; Fadley, C. S.

    2016-06-01

    The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications and are the subject of intense study in many disciplines. We here apply experimental and theoretical techniques to the characterization of one such interesting interface system: the two-dimensional electron gas (2DEG) formed in multilayers consisting of SrTi O3 (STO) and GdTi O3 (GTO). This system has been the subject of multiple studies recently and shown to exhibit very high carrier charge densities and ferromagnetic effects, among other intriguing properties. We have studied a 2DEG-forming multilayer of the form [6unit cells (u .c .) STO /3 u .c .of GTO ] 20 using a unique array of photoemission techniques including soft and hard x-ray excitation, soft x-ray angle-resolved photoemission, core-level spectroscopy, resonant excitation, and standing-wave effects, as well as theoretical calculations of the electronic structure at several levels and of the actual photoemission process. Standing-wave measurements below and above a strong resonance have been exploited as a powerful method for studying the 2DEG depth distribution. We have thus characterized the spatial and momentum properties of this 2DEG in detail, determining via depth-distribution measurements that it is spread throughout the 6 u.c. layer of STO and measuring the momentum dispersion of its states. The experimental results are supported in several ways by theory, leading to a much more complete picture of the nature of this 2DEG and suggesting that oxygen vacancies are not the origin of it. Similar multitechnique photoemission studies of such states at buried interfaces, combined with comparable theory, will be a very fruitful future approach for exploring and modifying the fascinating world of buried-interface physics and chemistry.

  16. Formation of a protocluster: A virialized structure from gravoturbulent collapse. II. A two-dimensional analytical model for a rotating and accreting system

    Science.gov (United States)

    Lee, Yueh-Ning; Hennebelle, Patrick

    2016-06-01

    Context. Most stars are born in the gaseous protocluster environment where the gas is reprocessed after the global collapse from the diffuse molecular cloud. The knowledge of this intermediate step gives more accurate constraints on star formation characteristics. Aims: We demonstrate that a virialized globally supported structure, in which star formation happens, is formed out of a collapsing molecular cloud, and we derive a mapping from the parent cloud parameters to the protocluster to predict its properties with a view to confront analytical calculations with observations and simulations. Methods: We decomposed the virial theorem into two dimensions to account for the rotation and the flattened geometry. Equilibrium was found by balancing rotation, turbulence, and self-gravity, while turbulence was maintained through accretion driving and it dissipates in one crossing time. We estimated the angular momentum and the accretion rate of the protocluster from the parent cloud properties. Results: The two-dimensional virial model predicts the size and velocity dispersion given the mass of the protocluster and that of the parent cloud. The gaseous protoclusters lie on a sequence of equilibrium with the trend R ~ M0.5 with limited variations, depending on the evolutionary stage, parent cloud, and parameters that are not well known, such as turbulence driving efficiency by accretion and turbulence anisotropy. The model reproduces observations and simulation results successfully. Conclusions: The properties of protoclusters follow universal relations and they can be derived from that of the parent cloud. The gaseous protocluster is an important primary stage of stellar cluster formation, and should be taken into account when studying star formation. Using simple estimates to infer the peak position of the core mass function (CMF) we find a weak dependence on the cluster mass, suggesting that the physical conditions inside protoclusters may contribute to set a CMF, and by

  17. High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Kellar, S.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Advanced Light Source Div.

    1997-05-01

    This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f{sub 7/5} core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 {+-} 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 {+-} 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 {+-} 0.02 A and 0.30 {+-} 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed.

  18. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    Science.gov (United States)

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  19. Self-Organized Two-Dimensional Vidro-Nanodot Array on Laser-Irradiated Si Surface

    Science.gov (United States)

    Yoshida, Yutaka; Sakaguchi, Norihito; Watanabe, Seiichi; Kato, Takahiko

    2011-05-01

    We report a periodic two-dimensional (2D) array of uniquely shaped dotlike nanoprotrusions (NPs), which simultaneously self-organize on a Si surface under pulsed laser irradiation. The shape of the dotlike NPs can be controlled by adjusting the number of laser pulses. The flask-shaped dotlike NP array is named a vidro-nanodot (VND) array. We present a detailed analysis of the internal structure of VND using high-resolution electron microscopy.

  20. Experimental Demonstration of the Microscopic Origin of Circular Dichroism in Two dimensional Metamaterials

    Science.gov (United States)

    2016-06-22

    dichroism in two-dimensional metamaterials A.B. Khanikaev1, N. Arju2, Z. Fan2, D. Purtseladze2, F. Lu3, J. Lee3, P. Sarriugarte4, M. Schnell4, R. Hillenbrand4...M.A. Belkin3 & G. Shvets2 Optical activity and circular dichroism are fascinating physical phenomena originating from the interaction of light with...spatial symmetry of their building blocks is broken on a nanoscale. Although originally discovered in 3D structures, circular dichroism can also emerge

  1. Computational Amide I 2D IR Spectroscopy as a Probe of Protein Structure and Dynamics

    Science.gov (United States)

    Reppert, Mike; Tokmakoff, Andrei

    2016-05-01

    Two-dimensional infrared spectroscopy of amide I vibrations is increasingly being used to study the structure and dynamics of proteins and peptides. Amide I, a primarily carbonyl stretching vibration of the protein backbone, provides information on secondary structures as a result of vibrational couplings and on hydrogen-bonding contacts when isotope labeling is used to isolate specific sites. In parallel with experiments, computational models of amide I spectra that use atomistic structures from molecular dynamics simulations have evolved to calculate experimental spectra. Mixed quantum-classical models use spectroscopic maps to translate the structural information into a quantum-mechanical Hamiltonian for the spectroscopically observed vibrations. This allows one to model the spectroscopy of large proteins, disordered states, and protein conformational dynamics. With improvements in amide I models, quantitative modeling of time-dependent structural ensembles and of direct feedback between experiments and simulations is possible. We review the advances in developing these models, their theoretical basis, and current and future applications.

  2. An algorithm for computing the 2D structure of fast rotating stars

    Energy Technology Data Exchange (ETDEWEB)

    Rieutord, Michel, E-mail: mrieutord@irap.omp.eu [Université de Toulouse, UPS-OMP, IRAP, Toulouse (France); CNRS, IRAP, 14, avenue Edouard Belin, F-31400 Toulouse (France); Espinosa Lara, Francisco; Putigny, Bertrand [Université de Toulouse, UPS-OMP, IRAP, Toulouse (France); CNRS, IRAP, 14, avenue Edouard Belin, F-31400 Toulouse (France)

    2016-08-01

    Stars may be understood as self-gravitating masses of a compressible fluid whose radiative cooling is compensated by nuclear reactions or gravitational contraction. The understanding of their time evolution requires the use of detailed models that account for a complex microphysics including that of opacities, equation of state and nuclear reactions. The present stellar models are essentially one-dimensional, namely spherically symmetric. However, the interpretation of recent data like the surface abundances of elements or the distribution of internal rotation have reached the limits of validity of one-dimensional models because of their very simplified representation of large-scale fluid flows. In this article, we describe the ESTER code, which is the first code able to compute in a consistent way a two-dimensional model of a fast rotating star including its large-scale flows. Compared to classical 1D stellar evolution codes, many numerical innovations have been introduced to deal with this complex problem. First, the spectral discretization based on spherical harmonics and Chebyshev polynomials is used to represent the 2D axisymmetric fields. A nonlinear mapping maps the spheroidal star and allows a smooth spectral representation of the fields. The properties of Picard and Newton iterations for solving the nonlinear partial differential equations of the problem are discussed. It turns out that the Picard scheme is efficient on the computation of the simple polytropic stars, but Newton algorithm is unsurpassed when stellar models include complex microphysics. Finally, we discuss the numerical efficiency of our solver of Newton iterations. This linear solver combines the iterative Conjugate Gradient Squared algorithm together with an LU-factorization serving as a preconditioner of the Jacobian matrix.

  3. Synthesis and Crystal Structure of a Two-dimensional Silver Framework Constructed by H2idc (H2idc = Iminodiacetic Acid)

    Institute of Scientific and Technical Information of China (English)

    LIN Xiu-E; CAO Rong; WANG Yan-Qin; LI Xiao-Ju; BI Wen-Hua; YUAN Da-Qiang

    2005-01-01

    A new compound formulated [Ag2(idc)](NO3)(H2O (H2idc = iminodiacetic acid) was synthesized under mild conditions and characterized by IR spectrum and single-crystal X-ray diffraction. The crystal crystallizes in the monoclinic system, space group of P21/n with a = 5.5029(2), b = 11.1316(5), c = 15.5319 (1) (A), β = 96.038(3)°, V = 946.15(6) (A)3, Z = 4, R = 0.0619 and wR = 0.1606. Its structure is a 2D polymer, whose repeat units consist of dinuclear silver cluster coordinated by two bridging iminodiacetic acids. In the complex, the Ag(I) ions adopt three coordinate fashions, and the Ag-Ag metal-metal contacts of 2.8418 (A) are observed.

  4. Well-defined azazirconacyclopropane complexes supported on silica structurally determined by 2D NMR comparative elucidation

    KAUST Repository

    El Eter, Mohamad

    2013-01-01

    Grafting of Zr(NMe2)4 on mesoporous silica SBA-15 afforded selectively well-defined surface species SiOZr(NMe2) (η2NMeCH2). 2D solid-state NMR (1H- 13C HETCOR, Multiple Quantum) experiments have shown a unique structural rearrangement occurring on the immobilised zirconium bis methylamido ligand. © The Royal Society of Chemistry 2013.

  5. Membrane proteins: functional and structural studies using reconstituted proteoliposomes and 2-D crystals

    Directory of Open Access Journals (Sweden)

    Rigaud J.-L.

    2002-01-01

    Full Text Available Reconstitution of membrane proteins into lipid bilayers is a powerful tool to analyze functional as well as structural areas of membrane protein research. First, the proper incorporation of a purified membrane protein into closed lipid vesicles, to produce proteoliposomes, allows the investigation of transport and/or catalytic properties of any membrane protein without interference by other membrane components. Second, the incorporation of a large amount of membrane proteins into lipid bilayers to grow crystals confined to two dimensions has recently opened a new way to solve their structure at high resolution using electron crystallography. However, reconstitution of membrane proteins into functional proteoliposomes or 2-D crystallization has been an empirical domain, which has been viewed for a long time more like "black magic" than science. Nevertheless, in the last ten years, important progress has been made in acquiring knowledge of lipid-protein-detergent interactions and has permitted to build upon a set of basic principles that has limited the empirical approach of reconstitution experiments. Reconstitution strategies have been improved and new strategies have been developed, facilitating the success rate of proteoliposome formation and 2-D crystallization. This review deals with the various strategies available to obtain proteoliposomes and 2-D crystals from detergent-solubilized proteins. It gives an overview of the methods that have been applied, which may be of help for reconstituting more proteins into lipid bilayers in a form suitable for functional studies at the molecular level and for high-resolution structural analysis.

  6. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    of this thesis is on online comprehensive two-dimensional liquid chromatography (online LC×LC) with reverse phase in both dimensions (online RP×RP). Since online RP×RP has not been attempted before within this research group, a significant part of this thesis consists of knowledge and experience gained...

  7. Structural determination of oligosaccharides derived from lipooligosaccharide of Neisseria gonorrhoeae F62 by chemical, enzymatic, and two-dimensional NMR methods

    Energy Technology Data Exchange (ETDEWEB)

    Yamasaki, Ryohei; Nasholds, W.; Griffiss, J.M. (Univ. of California, San Francisco (United States) Veterans Administration Medical Center, San Francisco, CA (United States)); Bacon, B.E. (Veterans Administration Medical Center, San Francisco (United States)); Schneider, H. (Walter Reed Research Inst., Washington, DC (United States))

    1991-10-29

    F62 LOS of Neisseria gonorrhoeae consists of two major LOS components; the higher and smaller molecular weight (MW) components were recognized by MAbs 1-1-M and 3F11 respectively. Base-line separation of the two major oligosaccharide (OS) components from F62 LOS was achieved by Bio-Gel P-4 chromatography after dephosphorylation of the OS mixture. The structures of the two major OSs were studied by chemical, enzymatic, and 2D NMR methods as well as methylation followed by GC/MS analysis. The OS component derived from the MAb 1-1-M defined LOS component was determined to have a V{sup 3}-({beta}-N-acetylgalactosaminyl)neolactotetraose structure at one of its nonreducing termini. The OS component derived from the MAb 3F11 defined LOS component did not have a GalNAc residue. The rest of its structure was identical to that of the OS-1, and a neolactotetraose is exposed at its nonreducing terminus.

  8. The band structure of carbonmonoxide on 2-D Au islands on graphene

    KAUST Repository

    Katsiev, Khabiboulakh

    2014-06-01

    The dispersion of the occupied molecular orbitals of carbon monoxide adsorbed on Au 2D islands, vapor-deposited on graphene/Ru(0 0 0 1), is seen to be wave vector dependent, as revealed by angle-resolved photoemission. The band dispersion is similar to CO monolayers adsorbed on many single crystal metal surfaces. Thus not only are the adsorbed gold islands on graphene flat and crystalline, as evident in the dispersion of the Au d-states, but the CO molecular adlayer is both molecular and ordered as well. The experimental angle-resolved photoemission combined with model calculations of the occupied CO band structure, suggest that, in spite of being a very weakly bound adsorbate, the CO adlayer on Au 2D islands on graphene is strongly hybridized to the Au layer. . © 2014 Elsevier B.V. All rights reserved.

  9. Experimental comparison of 2D arrays topologies for SHM of planar structures

    Science.gov (United States)

    Ambrozinski, Lukasz; Packo, Pawel; Stepinski, Tadeusz; Uhl, Tadeusz

    2012-04-01

    In this paper we present a new methodology for theoretical, numerical and experimental investigations of various 2D arrays' topologies. The theoretical evaluation is performed using frequency-dependent structure transfer function that affects propagation of Lamb waves (LWs) through the dispersive medium and enables investigation of the arrays' performance for a defined excitation signal. The numerical simulations are conducted using local interaction simulation approach (LISA) implemented on the NVIDIA R CUDA R graphical processing unit (GPU), which considerably accelerates 3D simulations of LWs propagation in a short time period. Finally, scanning laser vibrometer is used to sense the LWs excited by PZT transducers, in multiple points corresponding to the locations of the 2D array elements. In this way performance of various array architectures in the reception mode can be evaluated experimentally without the need of physical prototype - a change of topology requires only straightforward modification of the measurement points' distribution at the tested plate.

  10. Self-assembly of 2D sandwich-structured MnFe{sub 2}O{sub 4}/graphene composites for high-performance lithium storage

    Energy Technology Data Exchange (ETDEWEB)

    Li, Songmei, E-mail: songmei_li@buaa.edu.cn; Wang, Bo; Li, Bin; Liu, Jianhua; Yu, Mei; Wu, Xiaoyu

    2015-01-15

    Highlights: • MFO/GN composites were synthesized by a facile in situ solvothermal approach. • The MFO microspheres are sandwiched between the graphene layers. • Each MFO microsphere is an interstitial cluster of nanoparticles. • The MFO/GN electrode exhibits an enhanced cyclability for Li-ion batteries anodes. - Abstract: In this study, two-dimensional (2D) sandwich-structured MnFe{sub 2}O{sub 4}/graphene (MFO/GN) composites are synthesized by a facile in situ solvothermal approach, using cetyltrimethylammonium bromide (CTAB) as cationic surfactant. As a consequence, the nanocomposites of MFO/GN self-assembled into a 2D sandwich structure, in which the interstitial cluster structure of microsphere-type MnFe{sub 2}O{sub 4} is sandwiched between the graphene layers. This special structure of the MFO/GN composites used as anodes for lithium-ion batteries will be favorable for the maximum accessible surface of electroactive materials, fast diffusion of lithium ions and migration of electron, and elastomeric space to accommodate volume changes during the discharge–charge processes. The as-synthesized MFO/GN composites deliver a high specific reversible capacity of 987.95 mA h g{sup −1} at a current density of 200 mA g{sup −1}, a good capacity retention of 69.27% after 80 cycles and excellent rate performance for lithium storage.

  11. Theory of two-dimensional ESR with nuclear modulation

    Science.gov (United States)

    Gamliel, Dan; Freed, Jack H.

    A formalism for computing 2D ESR lineshapes with nuclear modulation is developed in a form which is useful for planning phase cycles for particular purposes. A simple method of processing spectra, utilizing quadrature detection, is shown to enhance the selectivity of the phase cycling techniques. Computed ESR-COSY, ESR-SECSY, and 2D ELDOR lineshapes are presented for several kinds of polycrystalline and single-crystal samples which exhibit nuclear modulation, due to one or several nuclei. The two-dimensional methods are found to give more detailed structural information than the corresponding ESEEM spectra. New phase cycles are found to eliminate completely all transverse and axial peaks in 2D ELDOR and in ESR-COSY, and at the same time eliminate all artifacts arising from incomplete image rejection. Other phase cycles are presented for selecting in those experiments only axial peaks, for measuring T1. It is also shown how selective phase cycles may help to distinguish between coherent and exchange cross peaks. In the special case of nitroxides in typical Zeeman fields, there are no significant nuclear modulation effects from the 14N nuclear spin interaction, but those from the protons (or deuterons) will, in general, be significant.

  12. Two-Dimensional Simulation of Flow and Evaluation of Bridge Scour at Structure A-1700 on Interstate 155 over the Mississippi River near Caruthersville, Missouri

    Science.gov (United States)

    Huizinga, Richard J.

    2007-01-01

    The evaluation of scour at bridges throughout the State of Missouri has been ongoing since 1991, and most of these evaluations have used one-dimensional hydraulic analysis and application of conventional scour depth prediction equations. Occasionally, the complex conditions of a site dictate a more thorough assessment of the stream hydraulics beyond a one-dimensional model. This was the case for structure A-1700, the Interstate 155 bridge crossing the Mississippi River near Caruthersville, Missouri. To assess the complex hydraulics at this site, a two-dimensional hydrodynamic flow model was used to simulate flow conditions on the Mississippi River in the vicinity of the Interstate 155 structure A-1700. The model was used to simulate flow conditions for three discharges: a flood that occurred on April 4, 1975 (the calibration flood), which had a discharge of 1,658,000 cubic feet per second; the 100-year flood, which has a discharge of 1,960,000 cubic feet per second; and the project design flood, which has a discharge of 1,974,000 cubic feet per second. The project design flood was essentially equivalent to the flood that would cause impending overtopping of the mainline levees along the Mississippi River in the vicinity of structure A-1700. Discharge and river-stage readings from the flood of April 4, 1975, were used to calibrate the flow model. The model was then used to simulate the 100-year and project design floods. Hydraulic flow parameters obtained from the three flow simulations were applied to scour depth prediction equations to determine contraction, local pier, and abutment scour depths at structure A-1700. Contraction scour and local pier scour depths computed for the project design discharge generally were the greatest, whereas the depths computed for the calibration flood were the least. The maximum predicted total scour depth (contraction and local pier scour) for the calibration flood was 66.1 feet; for the 100-year flood, the maximum predicted total

  13. Terahertz optical-Hall effect characterization of two-dimensional electron gas properties in AlGaN/GaN high electron mobility transistor structures

    Science.gov (United States)

    Schöche, S.; Shi, Junxia; Boosalis, A.; Kühne, P.; Herzinger, C. M.; Woollam, J. A.; Schaff, W. J.; Eastman, L. F.; Schubert, M.; Hofmann, T.

    2011-02-01

    The free-charge carrier mobility, sheet density, and effective mass of a two-dimensional electron gas are exemplarily determined in the spectral range from 640 GHz to 1 THz in a AlGaN/GaN heterostructure using the optical-Hall effect at room temperature. Complementary midinfrared spectroscopic ellipsometry measurements are performed for analysis of heterostructure constituents layer thickness, phonon mode, and free-charge carrier parameters. The electron effective mass is determined to be (0.22±0.04)m0. The high-frequency sheet density and carrier mobility parameters are in good agreement with results from dc electrical Hall effect measurements, indicative for frequency-independent carrier scattering mechanisms of the two-dimensional carrier distribution.

  14. RNA 3D modules in genome-wide predictions of RNA 2D structure

    DEFF Research Database (Denmark)

    Theis, Corinna; Zirbel, Craig L; Zu Siederdissen, Christian Höner

    2015-01-01

    Recent experimental and computational progress has revealed a large potential for RNA structure in the genome. This has been driven by computational strategies that exploit multiple genomes of related organisms to identify common sequences and secondary structures. However, these computational...... approaches have two main challenges: they are computationally expensive and they have a relatively high false discovery rate (FDR). Simultaneously, RNA 3D structure analysis has revealed modules composed of non-canonical base pairs which occur in non-homologous positions, apparently by independent evolution....... These modules can, for example, occur inside structural elements which in RNA 2D predictions appear as internal loops. Hence one question is if the use of such RNA 3D information can improve the prediction accuracy of RNA secondary structure at a genome-wide level. Here, we use RNAz in combination with 3D...

  15. Structural mapping and framework interconversions in 1D, 2D, and 3D divalent metal R,S-hydroxyphosphonoacetate hybrids.

    Science.gov (United States)

    Colodrero, Rosario M P; Olivera-Pastor, Pascual; Cabeza, Aurelio; Papadaki, Maria; Demadis, Konstantinos D; Aranda, Miguel A G

    2010-01-18

    Reactions of divalent cations (Mg(2+), Co(2+), Ni(2+), and Zn(2+)) with R,S-hydroxyphosphonoacetic acid (HPAA) in aqueous solutions (pH values ranging 1.0-4.0) yielded a range of crystalline hydrated M-HPAA hybrids. One-dimensional (1D) chain compounds were formed at room temperature whereas reactions conducted under hydrothermal conditions resulted in two-dimensional (2D) layered frameworks or, in some cases, three-dimensional (3D) networks incorporating various alkaline cations. 1D phases with compositions [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)].2H(2)O (M = Mg, Co, and Zn) were isolated. These compounds were dehydrated in liquid water to yield the corresponding [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] compounds lacking the lattice water between the 1D chains. [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] (M = Mg, Ni, Co, Zn) compounds were formed by crystallization at room temperature (at higher pH values) or also by partial dehydration of 1D compounds with higher hydration degrees. Complete dehydration of these 1D solids at 240-270 degrees C led to 3D phases, [M{HO3PCH(OH)CO(2)}]. The 2D layered compound [Mg{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] was obtained under hydrothermal conditions. For both synthesis methods, addition of alkali metal hydroxides to adjust the pH usually led to mixed phase materials, whereas direct reactions between the metal oxides and the hydroxyphosphonoacetic acid gave single phase materials. On the other hand, adjusting the pH with acetate salts and increasing the ratio M(2+)/HPAA and/or the A(+)/M(2+) ratio (A = Na, K) resulted in 3D networks, where the alkali cations were incorporated within the frameworks for charge compensation. The crystal structures of eight new M(II)-HPAA hybrids are reported herein and the thermal behavior related to dehydration/rehydration of some compounds are studied in detail.

  16. FlaME: Flash Molecular Editor - a 2D structure input tool for the web

    Directory of Open Access Journals (Sweden)

    Dallakian Pavel

    2011-02-01

    Full Text Available Abstract Background So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure editor, using Adobe's Flash technology and its programming language, ActionScript. As a reference model application from the Java world, we selected the Java Molecular Editor (JME. In this feasibility study, we made an attempt to realize a subset of JME's functionality in the Flash Molecular Editor (FlaME utility. These basic capabilities are: structure input, editing and depiction of single molecules, data import and export in molfile format. Implementation The result of molecular diagram sketching in FlaME is accessible in V2000 molfile format. By integrating the molecular editor into a web page, its communication with the HTML elements on this page is established using the two JavaScript functions, getMol( and setMol(. In addition, structures can be copied to the system clipboard. Conclusion A first attempt was made to create a compact single-file application for 2D molecular structure input/editing on the web, based on Flash technology. With the application examples presented in this article, it could be demonstrated that the Flash methods are principally well-suited to provide the requisite communication between the Flash object (application and the HTML elements on a web page, using JavaScript functions.

  17. Structure of the lithosphere of the northeastern part of the Indian Ocean according to results of two-dimensional structural-density modeling

    Science.gov (United States)

    Bulychev, A. A.; Gilod, D. A.; Dubinin, E. P.

    2016-05-01

    From a gravitational field analysis, the lithosphere was regionalized and a structural schematic map of the eastern part of the Indian Ocean was compiled. The area adjacent to the western margin of Australia was studied. The region is characterized by a complex lithospheric structure. It includes heterogeneous blocks of varying age, framed by structures with different morphological and geophysical expression and varying genesis. To clarify the peculiarities of tectonic structures of various genetic types, structural-density modeling was performed. This made it possible to establish certain gravimetric indicators characteristic of structures of various genesis.

  18. Evidence for Intramolecular Antiparallel Beta-Sheet Structure in Alpha-Synuclein Fibrils from a Combination of Two-Dimensional Infrared Spectroscopy and Atomic Force Microscopy

    Science.gov (United States)

    Roeters, Steven J.; Iyer, Aditya; Pletikapić, Galja; Kogan, Vladimir; Subramaniam, Vinod; Woutersen, Sander

    2017-01-01

    The aggregation of the intrinsically disordered protein alpha-synuclein (αS) into amyloid fibrils is thought to play a central role in the pathology of Parkinson’s disease. Using a combination of techniques (AFM, UV-CD, XRD, and amide-I 1D- and 2D-IR spectroscopy) we show that the structure of αS fibrils varies as a function of ionic strength: fibrils aggregated in low ionic-strength buffers ([NaCl] ≤ 25 mM) have a significantly different structure than fibrils grown in higher ionic-strength buffers. The observations for fibrils aggregated in low-salt buffers are consistent with an extended conformation of αS molecules, forming hydrogen-bonded intermolecular β-sheets that are loosely packed in a parallel fashion. For fibrils aggregated in high-salt buffers (including those prepared in buffers with a physiological salt concentration) the measurements are consistent with αS molecules in a more tightly-packed, antiparallel intramolecular conformation, and suggest a structure characterized by two twisting stacks of approximately five hydrogen-bonded intermolecular β-sheets each. We find evidence that the high-frequency peak in the amide-I spectrum of αS fibrils involves a normal mode that differs fundamentally from the canonical high-frequency antiparallel β-sheet mode. The high sensitivity of the fibril structure to the ionic strength might form the basis of differences in αS-related pathologies.

  19. Graphene and Two-Dimensional Materials for Optoelectronic Applications

    Directory of Open Access Journals (Sweden)

    Andreas Bablich

    2016-03-01

    Full Text Available This article reviews optoelectronic devices based on graphene and related two-dimensional (2D materials. The review includes basic considerations of process technology, including demonstrations of 2D heterostructure growth, and comments on the scalability and manufacturability of the growth methods. We then assess the potential of graphene-based transparent conducting electrodes. A major part of the review describes photodetectors based on lateral graphene p-n junctions and Schottky diodes. Finally, the progress in vertical devices made from 2D/3D heterojunctions, as well as all-2D heterostructures is discussed.

  20. Two dimensional unstable scar statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)

    2006-12-01

    This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.