Science.gov

Sample records for 2d mode structures

  1. Graphene band structure and its 2D Raman mode

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Reich, Stephanie

    2014-08-01

    High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion ∂ω2D/∂EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |∇ | of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy γ [EL] for freestanding graphene and find a nominal value γ ˜140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.

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

    NASA Astrophysics Data System (ADS)

    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.

  3. Wannier-Stark electro-optical effect, quasi-guided and photonic modes in 2D macroporous silicon structures with SiO2 coatings

    NASA Astrophysics Data System (ADS)

    Karachevtseva, L.; Goltviansky, Yu.; Sapelnikova, O.; Lytvynenko, O.; Stronska, O.; Bo, Wang; Kartel, M.

    2016-12-01

    Opportunities to enhance the properties of structured surfaces were demonstrated on 2D macroporous silicon structures with SiO2 coatings. We investigated the IR light absorption oscillations in macroporous silicon structures with SiO2 coatings 0-800 nm thick. The Wannier-Stark electro-optical effect due to strong electric field on Si-SiO2boundary and an additional electric field of quasi-guided optical modes were taken into account. The photonic modes and band gaps were also considered as peculiarities in absorbance spectra of macroporous silicon structures with a thick SiO2 coating. The photonic modes do not coincide with the quasi-guided modes in the silicon matrix and do not appear in absorption spectra of 2D macroporous silicon structures with surface nanocrystals.

  4. Residual lens effects in 2D mode of auto-stereoscopic lenticular-based switchable 2D/3D displays

    NASA Astrophysics Data System (ADS)

    Sluijter, M.; IJzerman, W. L.; de Boer, D. K. G.; de Zwart, S. T.

    2006-04-01

    We discuss residual lens effects in multi-view switchable auto-stereoscopic lenticular-based 2D/3D displays. With the introduction of a switchable lenticular, it is possible to switch between a 2D mode and a 3D mode. The 2D mode displays conventional content, whereas the 3D mode provides the sensation of depth to the viewer. The uniformity of a display in the 2D mode is quantified by the quality parameter modulation depth. In order to reduce the modulation depth in the 2D mode, birefringent lens plates are investigated analytically and numerically, by ray tracing. We can conclude that the modulation depth in the 2D mode can be substantially decreased by using birefringent lens plates with a perfect index match between lens material and lens plate. Birefringent lens plates do not disturb the 3D performance of a switchable 2D/3D display.

  5. Synthesis, structural characterization and microbial activity of 2D Ag(I)-5-aminoisophthalate coordination polymer with a new coordination mode

    NASA Astrophysics Data System (ADS)

    Günay, Handan; Çolak, Alper Tolga; Yeşilel, Okan Zafer; Tunç, Tuncay; Çolak, Ferdağ

    2015-11-01

    In this study, a novel polynuclear Ag(I)-5-aminoisophthalate complex [Ag(μ4-Haip)]n (1) (H2aip = 5-aminoisophthalic acid) has been synthesized. The molecular structure of this complex has been determined by the single crystal X-ray diffraction. The two-dimensional polynuclear complex is crystallized in the triclinic crystal system with space group P-1. The Ag(I) ion is four-coordinated by three carboxylate oxygen atoms of three different Haip ligands and one nitrogen atom in a distorted tetrahedral geometry. Furthermore, a novel coordination mode has shown by H2aip. This complex exhibits photoluminescence in the solid state at room temperature. Antimicrobial activity of complex was evaluated by the agar diffusion method. The complex showed antimicrobial activity against tested microorganism strains (Gram positive, gram negative bacteria, clinic isolate yeast and mold). Moreover this complex showed particularly high antifungal activity against yeast and mold.

  6. THz quantum cascade lasers operating on the radiative modes of a 2D photonic crystal.

    PubMed

    Halioua, Y; Xu, G; Moumdji, S; Li, L H; Davies, A G; Linfield, E H; Colombelli, R

    2014-07-01

    Photonic-crystal lasers operating on Γ-point band-edge states of a photonic structure naturally exploit the so-called "nonradiative" modes. As the surface output coupling efficiency of these modes is low, they have relatively high Q factors, which favor lasing. We propose a new 2D photonic-crystal design that is capable of reversing this mode competition and achieving lasing on the radiative modes instead. Previously, this has only been shown in 1D structures, where the central idea is to introduce anisotropy into the system, both at unit-cell and resonator scales. By applying this concept to 2D photonic-crystal patterned terahertz frequency quantum cascade lasers, surface-emitting devices with diffraction-limited beams are demonstrated, with 17 mW peak output power.

  7. Meshfree natural vibration analysis of 2D structures

    NASA Astrophysics Data System (ADS)

    Kosta, Tomislav; Tsukanov, Igor

    2014-02-01

    Determination of resonance frequencies and vibration modes of mechanical structures is one of the most important tasks in the product design procedure. The main goal of this paper is to describe a pioneering application of the solution structure method (SSM) to 2D structural natural vibration analysis problems and investigate the numerical properties of the method. SSM is a meshfree method which enables construction of the solutions to the engineering problems that satisfy exactly all prescribed boundary conditions. This method is capable of using spatial meshes that do not conform to the shape of a geometric model. Instead of using the grid nodes to enforce boundary conditions, it employs distance fields to the geometric boundaries and combines them with the basis functions and prescribed boundary conditions at run time. This defines unprecedented geometric flexibility of the SSM as well as the complete automation of the solution procedure. In the paper we will explain the key points of the SSM as well as investigate the accuracy and convergence of the proposed approach by comparing our results with the ones obtained using analytical methods or traditional finite element analysis. Despite in this paper we are dealing with 2D in-plane vibrations, the proposed approach has a straightforward generalization to model vibrations of 3D structures.

  8. A scanning-mode 2D shear wave imaging (s2D-SWI) system for ultrasound elastography.

    PubMed

    Qiu, Weibao; Wang, Congzhi; Li, Yongchuan; Zhou, Juan; Yang, Ge; Xiao, Yang; Feng, Ge; Jin, Qiaofeng; Mu, Peitian; Qian, Ming; Zheng, Hairong

    2015-09-01

    Ultrasound elastography is widely used for the non-invasive measurement of tissue elasticity properties. Shear wave imaging (SWI) is a quantitative method for assessing tissue stiffness. SWI has been demonstrated to be less operator dependent than quasi-static elastography, and has the ability to acquire quantitative elasticity information in contrast with acoustic radiation force impulse (ARFI) imaging. However, traditional SWI implementations cannot acquire two dimensional (2D) quantitative images of the tissue elasticity distribution. This study proposes and evaluates a scanning-mode 2D SWI (s2D-SWI) system. The hardware and image processing algorithms are presented in detail. Programmable devices are used to support flexible control of the system and the image processing algorithms. An analytic signal based cross-correlation method and a Radon transformation based shear wave speed determination method are proposed, which can be implemented using parallel computation. Imaging of tissue mimicking phantoms, and in vitro, and in vivo imaging test are conducted to demonstrate the performance of the proposed system. The s2D-SWI system represents a new choice for the quantitative mapping of tissue elasticity, and has great potential for implementation in commercial ultrasound scanners.

  9. Automatic computation of 2D cardiac measurements from B-mode echocardiography

    NASA Astrophysics Data System (ADS)

    Park, JinHyeong; Feng, Shaolei; Zhou, S. Kevin

    2012-03-01

    We propose a robust and fully automatic algorithm which computes the 2D echocardiography measurements recommended by America Society of Echocardiography. The algorithm employs knowledge-based imaging technologies which can learn the expert's knowledge from the training images and expert's annotation. Based on the models constructed from the learning stage, the algorithm searches initial location of the landmark points for the measurements by utilizing heart structure of left ventricle including mitral valve aortic valve. It employs the pseudo anatomic M-mode image generated by accumulating the line images in 2D parasternal long axis view along the time to refine the measurement landmark points. The experiment results with large volume of data show that the algorithm runs fast and is robust comparable to expert.

  10. Anharmonic vibrational modes of nucleic acid bases revealed by 2D IR spectroscopy.

    PubMed

    Peng, Chunte Sam; Jones, Kevin C; Tokmakoff, Andrei

    2011-10-05

    Polarization-dependent two-dimensional infrared (2D IR) spectra of the purine and pyrimadine base vibrations of five nucleotide monophosphates (NMPs) were acquired in D(2)O at neutral pH in the frequency range 1500-1700 cm(-1). The distinctive cross-peaks between the ring deformations and carbonyl stretches of NMPs indicate that these vibrational modes are highly coupled, in contrast with the traditional peak assignment, which is based on a simple local mode picture such as C═O, C═N, and C═C double bond stretches. A model of multiple anharmonically coupled oscillators was employed to characterize the transition energies, vibrational anharmonicities and couplings, and transition dipole strengths and orientations. No simple or intuitive structural correlations are found to readily assign the spectral features, except in the case of guanine and cytosine, which contain a single local CO stretching mode. To help interpret the nature of these vibrational modes, we performed density functional theory (DFT) calculations and found that multiple ring vibrations are coupled and delocalized over the purine and pyrimidine rings. Generally, there is close correspondence between the experimental and computational results, provided that the DFT calculations include explicit waters solvating hydrogen-bonding sites. These results provide direct experimental evidence of the delocalized nature of the nucleotide base vibrations via a nonperturbative fashion and will serve as building blocks for constructing a structure-based model of DNA and RNA vibrational spectroscopy.

  11. Synchronization of semiconductor laser arrays with 2D Bragg structures

    NASA Astrophysics Data System (ADS)

    Baryshev, V. R.; Ginzburg, N. S.

    2016-08-01

    A model of a planar semiconductor multi-channel laser is developed. In this model two-dimensional (2D) Bragg mirror structures are used for synchronizing radiation of multiple laser channels. Coupling of longitudinal and transverse waves can be mentioned as the distinguishing feature of these structures. Synchronization of 20 laser channels is demonstrated with a semi-classical approach based on Maxwell-Bloch equations.

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

    PubMed

    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.

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

    PubMed

    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.

  14. Dual-mode operation of 2D material-base hot electron transistors.

    PubMed

    Lan, Yann-Wen; Torres, Carlos M; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R; Lerner, Mitchell B; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  15. Dual-mode operation of 2D material-base hot electron transistors

    PubMed Central

    Lan, Yann-Wen; Torres, Jr., Carlos M.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-01-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications. PMID:27581550

  16. Dual-mode operation of 2D material-base hot electron transistors

    NASA Astrophysics Data System (ADS)

    Lan, Yann-Wen; Torres, Carlos M., Jr.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  17. Tight-Binding Approximations in 1D and 2D Coupled-Cavity Photonic Crystal Structures

    NASA Astrophysics Data System (ADS)

    Day, Nicole C. L.

    Light confinement and controlling an optical field has numerous applications in the field of telecommunications for optical signals processing. When the wavelength of the electromagnetic field is on the order of the period of a photonic microstructure, the field undergoes reflection, refraction, and coherent scattering. This produces photonic bandgaps, forbidden frequency regions or spectral stop bands where light cannot exist. Dielectric perturbations that break the perfect periodicity of these structures produce what is analogous to an impurity state in the bandgap of a semiconductor. The defect modes that exist at discrete frequencies within the photonic bandgap are spatially localized about the cavity-defects in the photonic crystal. In this thesis the properties of two tight-binding approximations (TBAs) are investigated in one-dimensional and two-dimensional coupled-cavity photonic crystal structures. We require an efficient and simple approach that ensures the continuity of the electromagnetic field across dielectric interfaces in complex structures. In this thesis we develop E- and D-TBAs to calculate the modes in finite 1D and 2D two-defect coupled-cavity photonic crystal structures. In the E- and D-TBAs we expand the coupled-cavity [vector electron]-modes in terms of the individual [vector electron]- and [vector D meson]-modes, respectively. We investigate the dependence of the defect modes, their frequencies and quality factors on the relative placement of the defects in the photonic crystal structures. We then elucidate the differences between the two TBA formulations, and describe the conditions under which these formulations may be more robust when encountering a dielectric perturbation. Our 1D analysis showed that the 1D modes were sensitive to the structure geometry. The antisymmetric D mode amplitudes show that the D. TBA did not capture the correct (tangential [vector electron]-field) boundary conditions. However, the D-TBA did not yield

  18. Micro-structural Fluctuations in 2D Dusty Plasma Liquids

    SciTech Connect

    I Lin; Huang, Y.-H.; Teng, L.-W.

    2007-07-13

    We address structural fluctuations in a cold 2D dusty plasma liquid which is self-organized through the strong Coulomb coupling of the negatively charged micro-meter sized dust particles suspending in weakly ionized discharges. The 2D liquids consist of triangular type ordered domains surrounded by defect clusters, which can be reorganized through avalanche type hopping under the interplay of strong Coulomb coupling and thermal fluctuations. The spatio-temporal evolutions of the local bond-orientational order are directly tracked through digital optical microscopy. The power law scaling of the temporal persistence length of fluctuations is obtained for the cold liquid. The measurement of the conditional probability of the persistence lengths of the successive fluctuating cycles suggests certain types of the persistence length combinations are more preferred. The memory of persistence lasts a few fluctuating cycles.

  19. Calculation of 2D electronic band structure using matrix mechanics

    NASA Astrophysics Data System (ADS)

    Pavelich, R. L.; Marsiglio, F.

    2016-12-01

    We extend previous work, applying elementary matrix mechanics to one-dimensional periodic arrays (to generate energy bands), to two-dimensional arrays. We generate band structures for the square-lattice "2D Kronig-Penney model" (square wells), the "muffin-tin" potential (circular wells), and Gaussian wells. We then apply the method to periodic arrays of more than one atomic site in a unit cell, specifically to the case of materials with hexagonal lattices like graphene. These straightforward extensions of undergraduate-level calculations allow students to readily determine band structures of current research interest.

  20. Enhanced detection limit by dark mode perturbation in 2D photonic crystal slab refractive index sensors.

    PubMed

    Nicolaou, Costa; Lau, Wah Tung; Gad, Raanan; Akhavan, Hooman; Schilling, Ryan; Levi, Ofer

    2013-12-16

    We demonstrate for the first time a 300nm thick, 300μm × 300μm 2D dielectric photonic crystal slab membrane with a quality factor of 10,600 by coupling light to slightly perturbed dark modes through alternating nano-hole sizes. The newly created fundamental guided resonances greatly reduce nano-fabrication accuracy requirements. Moreover, we created a new layer architecture resulting in electric field enhancement at the interface between the slab and sensing regions, and spectral sensitivity of >800 nm/RIU, that is, >0.8 of the single-mode theoretical upper limit of spectral sensitivity.

  1. Well-posedness and generalized plane waves simulations of a 2D mode conversion model

    SciTech Connect

    Imbert-Gérard, Lise-Marie

    2015-12-15

    Certain types of electro-magnetic waves propagating in a plasma can undergo a mode conversion process. In magnetic confinement fusion, this phenomenon is very useful to heat the plasma, since it permits to transfer the heat at or near the plasma center. This work focuses on a mathematical model of wave propagation around the mode conversion region, from both theoretical and numerical points of view. It aims at developing, for a well-posed equation, specific basis functions to study a wave mode conversion process. These basis functions, called generalized plane waves, are intrinsically based on variable coefficients. As such, they are particularly adapted to the mode conversion problem. The design of generalized plane waves for the proposed model is described in detail. Their implementation within a discontinuous Galerkin method then provides numerical simulations of the process. These first 2D simulations for this model agree with qualitative aspects studied in previous works.

  2. HEXAGONAL ARRAY STRUCTURE FOR 2D NDE APPLICATIONS

    SciTech Connect

    Dziewierz, J.; Ramadas, S. N.; Gachagan, A.; O'Leary, R. L.

    2010-02-22

    This paper describes a combination of simulation and experimentation to evaluate the advantages offered by utilizing a hexagonal shaped array element in a 2D NDE array structure. The active material is a 1-3 connectivity piezoelectric composite structure incorporating triangular shaped pillars--each hexagonal array element comprising six triangular pillars. A combination of PZFlex, COMSOL and Matlab has been used to simulate the behavior of this device microstructure, for operation around 2.25 MHz, with unimodal behavior and low levels of mechanical cross-coupling predicted. Furthermore, the application of hexagonal array elements enables the array aperture to increase by approximately 30%, compared to a conventional orthogonal array matrix and hence will provide enhanced volumetric coverage and SNR. Prototype array configurations demonstrate good corroboration of the theoretically predicted mechanical cross-coupling between adjacent array elements (approx23 dB).

  3. 2D Radiative Transfer in Magnetically Confined Structures

    NASA Astrophysics Data System (ADS)

    Heinzel, P.; Anzer, U.

    2003-01-01

    Magnetically confined structures in the solar atmosphere exhibit a large complexity in their shapes and physical conditions. As an example, we show the case of so-called magnetic dips in prominences which are in magnetohydrostatic equilibria. For such models we solve 2D non-LTE multilevel problem for hydrogen with PRD in Lyman resonance lines. The iterative technique used is based on the MALI approach with simple diagonal ALO and SC formal solver. To compute the hydrogen ionization balance, the preconditioned MALI equations are linearized with respect to atomic level populations and electron density and solved iteratively using the Newton-Raphson scheme. Two additional problems are addressed: (i) an adequate iteration method for cases when the column-mass scale is used in one of the two dimensions but varies along the other dimension (which has a geometrical scaling); and (ii) a possibility of using AMR (Adaptive Mesh Refinement) algorithms to account for steep 2D gradients of selected variables (temperature, density, etc.).

  4. Photocarrier transport in 2D macroporous silicon structures

    NASA Astrophysics Data System (ADS)

    Karachevtseva, L.; Onyshchenko, V.; Sachenko, A.

    2010-12-01

    The mechanisms of photocarrier transport through a barrier in the surface space-charge region (SCR) of 2D macroporous silicon structures have been studied at photon energies comparable to that of the silicon indirect band-to-band transition. It was found that the photoconductivity relaxation time was determined by the light modulation of barrier on the macropore surface; as a result, the relaxation itself obeyed the logarithmic law. The temperature dependence of the photoconductivity relaxation time was determined by the thermionic emission mechanism of the current transport in the SCR at temperatures T > 180 K, and by the tunnel current flow at T < 100 K, with temperature-independent tunnelling probability. The photo-emf was found to become saturated or reverse its sign to negative at temperatures below 130 K because of light absorption due to optical transitions via surface electronic states close to the silicon conduction band. In this case, the surface band bending increases due to the growth of a negative charge of the semiconductor surface. The equilibrium electrons in the bulk and photoexcited holes on the macropore surface recombine through the channel of multistage tunnel recombination between the conduction and valence bands.

  5. Modeling the Effect of Multiple Matrix Cracking Modes on Cyclic Hysteresis Loops of 2D Woven Ceramic-Matrix Composites

    NASA Astrophysics Data System (ADS)

    Longbiao, Li

    2016-08-01

    In this paper, the effect of multiple matrix cracking modes on cyclic loading/unloading hysteresis loops of 2D woven ceramic-matrix composites (CMCs) has been investigated. The interface slip between fibers and the matrix existed in matrix cracking mode 3 and mode 5, in which matrix cracking and interface debonding occurred in longitudinal yarns, are considered as the major reason for hysteresis loops of 2D woven CMCs. The effects of fiber volume content, peak stress, matrix crack spacing, interface properties, matrix cracking mode proportion and interface wear on interface slip and hysteresis loops have been analyzed. The cyclic loading/unloading hysteresis loops of 2D woven SiC/SiC composite corresponding to different peak stresses have been predicted using the present analysis. It was found that the damage parameter, i.e., the proportion of matrix cracking mode 3 in the entire cracking modes of the composite, increases with increasing peak stress.

  6. Comparison of Failure Modes in 2-D and 3-D Woven Carbon Phenolic Systems

    NASA Technical Reports Server (NTRS)

    Rossman, Grant A.; Stackpoole, Mairead; Feldman, Jay; Venkatapathy, Ethiraj; Braun, Robert D.

    2013-01-01

    NASA Ames Research Center is developing Woven Thermal Protection System (WTPS) materials as a new class of heatshields for entry vehicles (Stackpoole). Currently, there are few options for ablative entry heatshield materials, none of which is ideally suited to the planetary probe missions currently of interest to NASA. While carbon phenolic was successfully used for the missions Pioneer Venus and Galileo (to Jupiter), the heritage constituents are no longer available. An alternate carbon phenolic would need to be qualified for probe missions, which is most efficient at heat fluxes greater than those currently of interest. Additional TPS materials such as Avcoat and PICA are not sufficiently robust for the heat fluxes required. As a result, there is a large TPS gap between the materials efficient at very high conditions (carbon phenolic) and those that are effective at low-moderate conditions (all others). Development of 3D Woven TPS is intended to fill this gap, targeting mid-density weaves that could with withstand mid-range heat fluxes between 1100 W/sq cm and 8000 W/sq cm (Venkatapathy (2012). Preliminary experimental studies have been performed to show the feasibility of WTPS as a future mid-range TPS material. One study performed in the mARC Jet Facility at NASA Ames Research Center characterized the performance of a 3D Woven TPS sample and compared it to 2D carbon phenolic samples at ply angles of 0deg, 23.5deg, and 90deg. Each sample contained similar compositions of phenolic and carbon fiber volume fractions for experimental consistency. The goal of this study was to compare the performance of the TPS materials by evaluating resulting recession and failure modes. After exposing both samples to similar heat flux and pressure conditions, the 2D carbon phenolic laminate was shown to experience significant delamination between layers and further pocketing underneath separated layers. The 3D Woven TPS sample did not experience the delamination or pocketing

  7. Coupled leaky mode theory for light absorption in 2D, 1D, and 0D semiconductor nanostructures.

    PubMed

    Yu, Yiling; Cao, Linyou

    2012-06-18

    We present an intuitive, simple theoretical model, coupled leaky mode theory (CLMT), to analyze the light absorption of 2D, 1D, and 0D semiconductor nanostructures. This model correlates the light absorption of nanostructures to the optical coupling between incident light and leaky modes of the nanostructure. Unlike conventional methods such as Mie theory that requests specific physical features of nanostructures to evaluate the absorption, the CLMT model provides an unprecedented capability to analyze the absorption using eigen values of the leaky modes. Because the eigenvalue shows very mild dependence on the physical features of nanostructures, we can generally apply one set of eigenvalues calculated using a real, constant refractive index to calculations for the absorption of various nanostructures with different sizes, different materials, and wavelength-dependent complex refractive index. This CLMT model is general, simple, yet reasonably accurate, and offers new intuitive physical insights that the light absorption of nanostructures is governed by the coupling efficiency between incident light and leaky modes of the structure.

  8. On extended analytic theory of 2D ballooning modes in tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Abdoul, Peshwaz; Dickinson, David; Roach, Colin; Wilson, Howard

    2016-10-01

    We have extended the leading order ballooning theory which typically yields more unstable isolated mode (IM) that usually sit on the outboard mid-plane, to higher order where less unstable general mode (GM) sits at a different poloidal location. Our analytic theory has revealed that any poloidal shift of the mode with respect to the outboard mid-plane - arising from the effect of profile variations, for example - is always accompanied by an asymmetry of the radial eigenmode structure. Hence, GMs have radial asymmetry. Our theory can have important consequences, especially for calculations that invoke quasilinear theory to model intrinsic rotation arising from Reynolds stress. This is very important in ITER for which external torques are small. In such theories it is the radial asymmetry in the global GM mode which can generate a Reynolds stress that could in principle contribute to the poloidal flow during the low to high (L-H) mode transition in tokamaks. I am also an associate member at the York Plasma Institute, University of York and teaching at the Physics Department, University of Sulaimani, Kurdistan Region, Iraq.

  9. Photon-Assisted Resonant Tunneling and 2-D Plasmon Modes in Double Quantum Wells in Intense Terahertz Electric Fields

    NASA Astrophysics Data System (ADS)

    Peralta, X. G.; Allen, S. J.; Lin, S. Y.; Simmons, J. A.; Blount, M. A.; Baca, W. E.

    1998-03-01

    We explore photon-assisted resonant tunneling in double quantum well systems in intense terahertz electric fields that have separately- contacted wells. We have two goals in mind: 1) increase the basic understanding of photon assisted tunneling in semiconductors and 2) assess the potential of this structure as a detector. We can control the tunneling current by varying the electron density of each 2D electron gas or by changing the relative separation of the Fermi levels. This allows us to prepare the system in such a way that photons of the appropriate energy may induce resonant tunneling, which is monitored by a change in conductance. We also examine the possible enhancement of the resonant tunneling by resonant excitations of acoustic plasmon modes. This work is supported by ONR, the U. S. Dept. of Energy under Contract DE-AC04-94AL85000 and Consejo Nacional de Ciencia y Tecnología, México.

  10. Electromagnetic induction by finite wavenumber source fields in 2-D lateral heterogeneities - The transverse electric mode

    NASA Technical Reports Server (NTRS)

    Hermance, J. F.

    1984-01-01

    Electromagnetic induction in a laterally homogeneous earth is analyzed in terms of a source field with finite dimensions. Attention is focused on a time-varying two-dimensional current source directed parallel to the strike of a two-dimensional anomalous structure within the earth, i.e., the E-parallel mode. The spatially harmonic source field is expressed as discontinuities in the magnetic (or electric) field of the current in the source. The model is applied to describing the magnetic gradients across megatectonic features, and may be used to predict the magnetic fields encountered by a satellite orbiting above the ionosphere.

  11. Bond and mode selectivity in the OH + NH2D reaction: a quasi-classical trajectory calculation.

    PubMed

    Monge-Palacios, M; Espinosa-Garcia, J

    2013-11-28

    A state-to-state dynamics study was performed to analyze the effects of vibrational excitation on the dynamics of the OH + NH2D gas-phase reaction, which are connected to issues such as bond and mode selectivity. This reaction can evolve along two channels: H-abstraction, H2O(ν) + NHD(ν); and D-abstraction, HOD(ν) + NH2(ν). Based on an analytical potential energy surface previously developed by our group, quasi-classical trajectory calculations and subsequent normal mode analysis were performed. While vibrational excitation of the NH-sym mode of NH2D slightly favours H-abstraction over the D-abstraction, vibrational excitation of the ND mode shows that there is no clear preference for the H- or D-abstraction. These results show that this reaction does not exhibit bond selectivity, suggesting a breakdown of the spectator model. For H-abstraction, vibrational excitation of the non-reactive ND mode is partially retained in the NHD product; and for D-abstraction, excitation of the non-reactive NH mode is also partially retained in the products, indicating that this reaction exhibits mode selectivity only partially. In sum, we rule out bond and mode selectivity for this reaction. All these results were interpreted on the basis of strong coupling between modes along the reaction path, a behaviour which seems to be more the general tendency than the exception in polyatomic reactions.

  12. MODE: Structural Test Article (STA)

    NASA Technical Reports Server (NTRS)

    Crawley, Edward F.; Masters, Brett

    1992-01-01

    Viewgraphs on the Middeck 0-gravity Dynamics Experiment (MODE): Structural Test Article (STA) are presented. Topics covered include: MODE: structural test article motivation; hardware; sensors and actuators; experimental support module; data; preliminary results; supporting analysis program; and modeling approach.

  13. MODE: Structural Test Article (STA)

    NASA Astrophysics Data System (ADS)

    Crawley, Edward F.; Masters, Brett

    Viewgraphs on the Middeck 0-gravity Dynamics Experiment (MODE): Structural Test Article (STA) are presented. Topics covered include: MODE: structural test article motivation; hardware; sensors and actuators; experimental support module; data; preliminary results; supporting analysis program; and modeling approach.

  14. Design of 2D chitosan scaffolds via electrochemical structuring

    PubMed Central

    Altomare, Lina; Guglielmo, Elena; Varoni, Elena Maria; Bertoldi, Serena; Cochis, Andrea; Rimondini, Lia; De Nardo, Luigi

    2014-01-01

    Chitosan (CS) is a versatile biopolymer whose morphological and chemico-physical properties can be designed for a variety of biomedical applications. Taking advantage of its electrolytic nature, cathodic polarization allows CS deposition on electrically conductive substrates, resulting in thin porous structures with tunable morphology. Here we propose an easy method to obtain CS membranes with highly oriented micro-channels for tissue engineering applications, relying on simple control of process parameters and cathodic substrate geometry.   Cathodic deposition was performed on two different aluminum grids in galvanostatic conditions at 6.25 mA cm−2 from CS solution [1g L−1] in acetic acid (pH 3.5). Self-standing thin scaffolds were cross linked either with genipin or epichlorohydrin, weighted, and observed by optical and electron microscopy. Swelling properties at pH 5 and pH 7.4 have been also investigated and tensile tests performed on swollen samples at room temperature. Finally, direct and indirect assays have been performed to evaluate the cytotoxicity at 24 and 72 h. Thin scaffolds with two different oriented porosities (1000µm and 500µm) have been successfully fabricated by electrochemical techniques. Both cross-linking agents did not affected the mechanical properties and cytocompatibility of the resulting structures. Depending on the pH, these structures show interesting swelling properties that can be exploited for drug delivery systems. Moreover, thanks to the possibility of controlling the porosity and the micro-channel orientation, they should be used for the regeneration of tissues requiring a preferential cells orientation, e.g., cardiac patches or ligament regeneration. PMID:25093705

  15. Electronic structure study on 2D hydrogenated Icosagens nitride nanosheets

    NASA Astrophysics Data System (ADS)

    Ramesh, S.; Marutheeswaran, S.; Ramaclus, Jerald V.; Paul, Dolon Chapa

    2014-12-01

    Metal nitride nanosheets has attracted remarkable importance in surface catalysis due to its characteristic ionic nature. In this paper, using density functional theory, we investigate geometric stability and electronic properties of hydrogenated Icosagen nitride nanosheets. Binding energy of the sheets reveals hydrogenation is providing more stability. Band structure of the hydrogenated sheets is found to be n-type semiconductor. Partial density of states shows metals (B, Al, Ga and In) and its hydrogens dominating in the Fermi region. Mulliken charge analysis indications that hydrogenated nanosheets are partially hydridic surface nature except boron nitride.

  16. Speckle lithography for fabricating Gaussian, quasi-random 2D structures and black silicon structures

    PubMed Central

    Bingi, Jayachandra; Murukeshan, Vadakke Matham

    2015-01-01

    Laser speckle pattern is a granular structure formed due to random coherent wavelet interference and generally considered as noise in optical systems including photolithography. Contrary to this, in this paper, we use the speckle pattern to generate predictable and controlled Gaussian random structures and quasi-random structures photo-lithographically. The random structures made using this proposed speckle lithography technique are quantified based on speckle statistics, radial distribution function (RDF) and fast Fourier transform (FFT). The control over the speckle size, density and speckle clustering facilitates the successful fabrication of black silicon with different surface structures. The controllability and tunability of randomness makes this technique a robust method for fabricating predictable 2D Gaussian random structures and black silicon structures. These structures can enhance the light trapping significantly in solar cells and hence enable improved energy harvesting. Further, this technique can enable efficient fabrication of disordered photonic structures and random media based devices. PMID:26679513

  17. Speckle lithography for fabricating Gaussian, quasi-random 2D structures and black silicon structures.

    PubMed

    Bingi, Jayachandra; Murukeshan, Vadakke Matham

    2015-12-18

    Laser speckle pattern is a granular structure formed due to random coherent wavelet interference and generally considered as noise in optical systems including photolithography. Contrary to this, in this paper, we use the speckle pattern to generate predictable and controlled Gaussian random structures and quasi-random structures photo-lithographically. The random structures made using this proposed speckle lithography technique are quantified based on speckle statistics, radial distribution function (RDF) and fast Fourier transform (FFT). The control over the speckle size, density and speckle clustering facilitates the successful fabrication of black silicon with different surface structures. The controllability and tunability of randomness makes this technique a robust method for fabricating predictable 2D Gaussian random structures and black silicon structures. These structures can enhance the light trapping significantly in solar cells and hence enable improved energy harvesting. Further, this technique can enable efficient fabrication of disordered photonic structures and random media based devices.

  18. Structure of the novel ternary hydrides Li4Tt2D (Tt=Si and Ge).

    PubMed

    Wu, Hui; Hartman, Michael R; Udovic, Terrence J; Rush, John J; Zhou, Wei; Bowman, Robert C; Vajo, John J

    2007-02-01

    The crystal structures of newly discovered Li4Ge2D and Li4Si2D ternary phases were solved by direct methods using neutron powder diffraction data. Both structures can be described using a Cmmm orthorhombic cell with all hydrogen atoms occupying Li6-octahedral interstices. The overall crystal structure and the geometry of these interstices are compared with those of other related phases, and the stabilization of this novel class of ternary hydrides is discussed.

  19. Guided Lamb wave based 2-D spiral phased array for structural health monitoring of thin panel structures

    NASA Astrophysics Data System (ADS)

    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

  20. Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound*

    PubMed Central

    Wang, An; Savas, Uzen; Hsu, Mei-Hui; Stout, C. David; Johnson, Eric F.

    2012-01-01

    Human cytochrome P450 2D6 contributes to the metabolism of >15% of drugs used in clinical practice. This study determined the structure of P450 2D6 complexed with a substrate and potent inhibitor, prinomastat, to 2.85 Å resolution by x-ray crystallography. Prinomastat binding is well defined by electron density maps with its pyridyl nitrogen bound to the heme iron. The structure of ligand-bound P450 2D6 differs significantly from the ligand-free structure reported for the P450 2D6 Met-374 variant (Protein Data Bank code 2F9Q). Superposition of the structures reveals significant differences for β sheet 1, helices A, F, F′, G″, G, and H as well as the helix B-C loop. The structure of the ligand complex exhibits a closed active site cavity that conforms closely to the shape of prinomastat. The closure of the open cavity seen for the 2F9Q structure reflects a change in the direction and pitch of helix F and introduction of a turn at Gly-218, which is followed by a well defined helix F′ that was not observed in the 2F9Q structure. These differences reflect considerable structural flexibility that is likely to contribute to the catalytic versatility of P450 2D6, and this new structure provides an alternative model for in silico studies of substrate interactions with P450 2D6. PMID:22308038

  1. Topologic connection between 2-D layered structures and 3-D diamond structures for conventional semiconductors

    PubMed Central

    Wang, Jianwei; Zhang, Yong

    2016-01-01

    When coming to identify new 2D materials, our intuition would suggest us to look from layered instead of 3D materials. However, since graphite can be hypothetically derived from diamond by stretching it along its [111] axis, many 3D materials can also potentially be explored as new candidates for 2D materials. Using a density functional theory, we perform a systematic study over the common Group IV, III–V, and II–VI semiconductors along different deformation paths to reveal new structures that are topologically connected to but distinctly different from the 3D parent structure. Specifically, we explore two major phase transition paths, originating respectively from wurtzite and NiAs structure, by applying compressive and tensile strain along the symmetry axis, and calculating the total energy changes to search for potential metastable states, as well as phonon spectra to examine the structural stability. Each path is found to further split into two branches under tensile strain–low buckled and high buckled structures, which respectively lead to a low and high buckled monolayer structure. Most promising new layered or planar structures identified include BeO, GaN, and ZnO on the tensile strain side, Ge, Si, and GaP on the compressive strain side. PMID:27090430

  2. 2D-ordered dielectric sub-micron bowls on a metal surface: a useful hybrid plasmonic-photonic structure

    NASA Astrophysics Data System (ADS)

    Lan, Yue; Wang, Shiqiang; Yin, Xianpeng; Liang, Yun; Dong, Hao; Gao, Ning; Li, Jian; Wang, Hui; Li, Guangtao

    2016-07-01

    Recently, it has been demonstrated that the combination of periodic dielectric structures with metallic structures provides an efficient means to yield a synergetic optical response or functionality in the resultant hybrid plasmonic-photonic systems. In this work, a new hybrid plasmonic-photonic structure of 2D-ordered dielectric sub-micron bowls on a flat gold surface was proposed, prepared, and theoretically and experimentally characterized. This hybrid structure supports two types of modes: surface plasmon polaritons bound at the metallic surface and waveguided mode of light confined in the cavity of bowls. Optical responses of this hybrid structure as well as the spatial electric field distribution of each mode are found to be strongly dependent on the structural parameters of this system, and thus could be widely modified on demand. Importantly, compared to the widely studied hybrid systems, namely the flat metallic surface coated with a monolayer array of latex spheres, the waveguided mode with strong field enhancement appearing in the cavities of bowls is more facilely accessible and thus suitable for practical use. For demonstration, a 2D-ordered silica sub-micron bowl array deposited on a flat gold surface was fabricated and used as a regenerable platform for fluorescence enhancement by simply accommodating emitters in bowls. All the simulation and experiment results indicate that the 2D-ordered dielectric sub-micron bowls on a metal surface should be a useful hybrid plasmonic-photonic system with great potential for applications such as sensors or tunable emitting devices if appropriate periods and materials are employed.Recently, it has been demonstrated that the combination of periodic dielectric structures with metallic structures provides an efficient means to yield a synergetic optical response or functionality in the resultant hybrid plasmonic-photonic systems. In this work, a new hybrid plasmonic-photonic structure of 2D-ordered dielectric sub

  3. The development and testing of a 2D laboratory seismic modelling system for heterogeneous structure investigations

    NASA Astrophysics Data System (ADS)

    Mo, Yike; Greenhalgh, Stewart A.; Robertsson, Johan O. A.; Karaman, Hakki

    2015-05-01

    Lateral velocity variations and low velocity near-surface layers can produce strong scattered and guided waves which interfere with reflections and lead to severe imaging problems in seismic exploration. In order to investigate these specific problems by laboratory seismic modelling, a simple 2D ultrasonic model facility has been recently assembled within the Wave Propagation Lab at ETH Zurich. The simulated geological structures are constructed from 2 mm thick metal and plastic sheets, cut and bonded together. The experiments entail the use of a piezoelectric source driven by a pulse amplifier at ultrasonic frequencies to generate Lamb waves in the plate, which are detected by piezoelectric receivers and recorded digitally on a National Instruments recording system, under LabVIEW software control. The 2D models employed were constructed in-house in full recognition of the similitude relations. The first heterogeneous model features a flat uniform low velocity near-surface layer and deeper dipping and flat interfaces separating different materials. The second model is comparable but also incorporates two rectangular shaped inserts, one of low velocity, the other of high velocity. The third model is identical to the second other than it has an irregular low velocity surface layer of variable thickness. Reflection as well as transmission experiments (crosshole & vertical seismic profiling) were performed on each model. The two dominant Lamb waves recorded are the fundamental symmetric mode (non-dispersive) and the fundamental antisymmetric (flexural) dispersive mode, the latter normally being absent when the source transducer is located on a model edge but dominant when it is on the flat planar surface of the plate. Experimental group and phase velocity dispersion curves were determined and plotted for both modes in a uniform aluminium plate. For the reflection seismic data, various processing techniques were applied, as far as pre-stack Kirchhoff migration. The

  4. J-integral evaluation for 2D mixed-mode crack problems employing a meshfree stabilized conforming nodal integration method

    NASA Astrophysics Data System (ADS)

    Tanaka, Satoyuki; Suzuki, Hirotaka; Sadamoto, Shota; Sannomaru, Shogo; Yu, Tiantang; Bui, Tinh Quoc

    2016-08-01

    Two-dimensional (2D) in-plane mixed-mode fracture mechanics problems are analyzed employing an efficient meshfree Galerkin method based on stabilized conforming nodal integration (SCNI). In this setting, the reproducing kernel function as meshfree interpolant is taken, while employing the SCNI for numerical integration of stiffness matrix in the Galerkin formulation. The strain components are smoothed and stabilized employing Gauss divergence theorem. The path-independent integral ( J-integral) is solved based on the nodal integration by summing the smoothed physical quantities and the segments of the contour integrals. In addition, mixed-mode stress intensity factors (SIFs) are extracted from the J-integral by decomposing the displacement and stress fields into symmetric and antisymmetric parts. The advantages and features of the present formulation and discretization in evaluation of the J-integral of in-plane 2D fracture problems are demonstrated through several representative numerical examples. The mixed-mode SIFs are evaluated and compared with reference solutions. The obtained results reveal high accuracy and good performance of the proposed meshfree method in the analysis of 2D fracture problems.

  5. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    NASA Astrophysics Data System (ADS)

    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.

  6. Super-radiant plasmon mode is more efficient for SERS than the sub-radiant mode in highly packed 2D gold nanocube arrays.

    PubMed

    Mahmoud, Mahmoud A

    2015-08-21

    The field coupling in highly packed plasmonic nanoparticle arrays is not localized due to the energy transport via the sub-radiant plasmon modes, which is formed in addition to the regular super-radiant plasmon mode. Unlike the sub-radiant mode, the plasmon field of the super-radiant mode cannot extend over long distances since it decays radiatively with a shorter lifetime. The coupling of the plasmon fields of gold nanocubes (AuNCs) when organized into highly packed 2D arrays was examined experimentally. Multiple plasmon resonance optical peaks are observed for the AuNC arrays and are compared to those calculated using the discrete dipole approximation. The calculated electromagnetic plasmon fields of the arrays displayed high field intensity for the nanocubes located in the center of the arrays for the lower energy super-radiant mode, while the higher energy sub-radiant plasmon mode displayed high field intensity at the edges of the arrays. The Raman signal enhancement by the super-radiant plasmon mode was found to be one hundred fold greater than that by sub-radiant plasmon mode because the super-radiant mode has higher scattering and stronger plasmon field intensity relative to the sub-radiant mode.

  7. Super-radiant plasmon mode is more efficient for SERS than the sub-radiant mode in highly packed 2D gold nanocube arrays

    SciTech Connect

    Mahmoud, Mahmoud A.

    2015-08-21

    The field coupling in highly packed plasmonic nanoparticle arrays is not localized due to the energy transport via the sub-radiant plasmon modes, which is formed in addition to the regular super-radiant plasmon mode. Unlike the sub-radiant mode, the plasmon field of the super-radiant mode cannot extend over long distances since it decays radiatively with a shorter lifetime. The coupling of the plasmon fields of gold nanocubes (AuNCs) when organized into highly packed 2D arrays was examined experimentally. Multiple plasmon resonance optical peaks are observed for the AuNC arrays and are compared to those calculated using the discrete dipole approximation. The calculated electromagnetic plasmon fields of the arrays displayed high field intensity for the nanocubes located in the center of the arrays for the lower energy super-radiant mode, while the higher energy sub-radiant plasmon mode displayed high field intensity at the edges of the arrays. The Raman signal enhancement by the super-radiant plasmon mode was found to be one hundred fold greater than that by sub-radiant plasmon mode because the super-radiant mode has higher scattering and stronger plasmon field intensity relative to the sub-radiant mode.

  8. Laser fabrication of 2D and 3D metal nanoparticle structures and arrays.

    PubMed

    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.

  9. Photo-and Electro-Switchable 1/2D Diffractive Structures Exploiting Soft-Matter

    DTIC Science & Technology

    2013-05-01

    again, a linear red-shift is observed, which clearly confirms that the behavior reported in Figure 4a is due to a photo - thermal mechanism; furthermore...AFRL-AFOSR-UK-TR-2013-0022 Photo -and Electro-Switchable 1/2D Diffractive Structures Exploiting Soft-Matter Luciano De Sio...TYPE Final Report 3. DATES COVERED (From – To) 14 November 2011 – 13 November 2012 4. TITLE AND SUBTITLE Photo -and Electro-Switchable 1/2D

  10. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    SciTech Connect

    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

    2013-02-15

    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

  11. Communication: Effect of accidental mode degeneracy on Raman intensity in 2D materials: Hybrid functional study of bilayer phosphorene.

    PubMed

    Sun, Yi-Yang; Zhang, Shengbai

    2016-07-14

    Bulk black phosphorus has two optical phonon modes labeled as Ag (2) and B2u, respectively, that are nearly degenerate in frequency. However, density functional theory calculations using local or semi-local functionals cannot reproduce this degeneracy. Here, we propose a hybrid functional approach aided by van der Waals (vdW) force fields, which can accurately describe the lattice dynamic and electronic properties of both bulk and few-layer black phosphorus (phosphorene). Using this approach we show that in bilayer phosphorene, the two Raman modes derived from the B2u and Ag (2) modes could exhibit strong resonance as a result of the accidental degeneracy so that both modes could be observed in Raman experiment. Without the mode degeneracy, however, the Raman intensity of the B2u-derived mode would be too weak to be observed. We further show that the accidental degeneracy is correlated to the applied strain, which enables Raman spectroscopy to be a powerful tool for characterizing built-in strains in 2D materials, e.g., due to the interaction with substrates, which has emerged as an important issue in vdW epitaxy.

  12. Communication: Effect of accidental mode degeneracy on Raman intensity in 2D materials: Hybrid functional study of bilayer phosphorene

    NASA Astrophysics Data System (ADS)

    Sun, Yi-Yang; Zhang, Shengbai

    2016-07-01

    Bulk black phosphorus has two optical phonon modes labeled as Ag2 and B2u, respectively, that are nearly degenerate in frequency. However, density functional theory calculations using local or semi-local functionals cannot reproduce this degeneracy. Here, we propose a hybrid functional approach aided by van der Waals (vdW) force fields, which can accurately describe the lattice dynamic and electronic properties of both bulk and few-layer black phosphorus (phosphorene). Using this approach we show that in bilayer phosphorene, the two Raman modes derived from the B2u and Ag2 modes could exhibit strong resonance as a result of the accidental degeneracy so that both modes could be observed in Raman experiment. Without the mode degeneracy, however, the Raman intensity of the B2u-derived mode would be too weak to be observed. We further show that the accidental degeneracy is correlated to the applied strain, which enables Raman spectroscopy to be a powerful tool for characterizing built-in strains in 2D materials, e.g., due to the interaction with substrates, which has emerged as an important issue in vdW epitaxy.

  13. EDGE2D-EIRENE modelling of near SOL E r: possible impact on the H-mode power threshold

    NASA Astrophysics Data System (ADS)

    Chankin, A. V.; Delabie, E.; Corrigan, G.; Harting, D.; Maggi, C. F.; Meyer, H.; Contributors, JET

    2017-04-01

    Recent EDGE2D-EIRENE simulations of JET plasmas showed a significant difference between radial electric field (E r) profiles across the separatrix in two divertor configurations, with the outer strike point on the horizontal target (HT) and vertical target (VT) (Chankin et al 2016 Nucl. Mater. Energy, doi: 10.1016/j.nme.2016.10.004). Under conditions (input power, plasma density) where the HT plasma went into the H-mode, a large positive E r spike in the near scrape-off layer (SOL) was seen in the code output, leading to a very large E × B shear across the separatrix over a narrow region of a fraction of a cm width. No such E r feature was obtained in the code solution for the VT configuration, where the H-mode power threshold was found to be twice as high as in the HT configuration. It was hypothesised that the large E × B shear across the separatrix in the HT configuration could be responsible for the turbulence suppression leading to an earlier (at lower input power) L–H transition compared to the VT configuration. In the present work these ideas are extended to cover some other experimental observations on the H-mode power threshold variation with parameters which typically are not included in the multi-machine H-mode power threshold scalings, namely: ion mass dependence (isotope H–D–T exchange), dependence on the ion ∇B drift direction, and dependence on the wall material composition (ITER-like wall versus carbon wall in JET). In all these cases EDGE2D-EIRENE modelling shows larger positive E r spikes in the near SOL under conditions where the H-mode power threshold is lower, at least in the HT configuration.

  14. Pharmacophore, QSAR, and binding mode studies of substrates of human cytochrome P450 2D6 (CYP2D6) using molecular docking and virtual mutations and an application to chinese herbal medicine screening.

    PubMed

    Mo, Sui-Lin; Liu, Wei-Feng; Li, Chun-Guang; Zhou, Zhi-Wei; Luo, Hai-Bin; Chew, Helen; Liang, Jun; Zhou, Shu-Feng

    2012-07-01

    The highly polymorphic human cytochrome P450 2D6 (CYP2D6) metabolizes about 25% of currently used drugs. In this study, we have explored the interaction of a large number of substrates (n = 120) with wild-type and mutated CYP2D6 by molecular docking using the CDOCKER module. Before we conducted the molecular docking and virtual mutations, the pharmacophore and QSAR models of CYP2D6 substrates were developed and validated. Finally, we explored the interaction of a traditional Chinese herbal formula, Fangjifuling decoction, with CYP2D6 by virtual screening. The optimized pharmacophore model derived from 20 substrates of CYP2D6 contained two hydrophobic features and one hydrogen bond acceptor feature, giving a relevance ratio of 76% when a validation set of substrates were tested. However, our QSAR models gave poor prediction of the binding affinity of substrates. Our docking study demonstrated that 117 out of 120 substrates could be docked into the active site of CYP2D6. Forty one out of 117 substrates (35.04%) formed hydrogen bonds with various active site residues of CYP2D6 and 53 (45.30%) substrates formed a strong π-π interaction with Phe120 (53/54), with only carvedilol showing π-π interaction with Phe483. The active site residues involving hydrogen bond formation with substrates included Leu213, Lys214, Glu216, Ser217, Gln244, Asp301, Ser304, Ala305, Phe483, and Phe484. Furthermore, the CDOCKER algorithm was further applied to study the impact of mutations of 28 active site residues (mostly non-conserved) of CYP2D6 on substrate binding modes using five probe substrates including bufuralol, debrisoquine, dextromethorphan, sparteine, and tramadol. All mutations of the residues examined altered the hydrogen bond formation and/or aromatic interactions, depending on the probe used in molecular docking. Apparent changes of the binding modes have been observed with the Glu216Asp and Asp301Glu mutants. Overall, 60 compounds out of 130 from Fangjifuling decoction

  15. Structure-From-Motion in 3D Space Using 2D Lidars

    PubMed Central

    Choi, Dong-Geol; Bok, Yunsu; Kim, Jun-Sik; Shim, Inwook; Kweon, In So

    2017-01-01

    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. PMID:28165372

  16. Deep structure of Eastern part of Bandung Basin based on 2D resistivity structure

    NASA Astrophysics Data System (ADS)

    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

  17. An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm.

    PubMed

    Wang, Yanchao; Miao, Maosheng; Lv, Jian; Zhu, Li; Yin, Ketao; Liu, Hanyu; Ma, Yanming

    2012-12-14

    A structure prediction method for layered materials based on two-dimensional (2D) particle swarm optimization algorithm is developed. The relaxation of atoms in the perpendicular direction within a given range is allowed. Additional techniques including structural similarity determination, symmetry constraint enforcement, and discretization of structure constructions based on space gridding are implemented and demonstrated to significantly improve the global structural search efficiency. Our method is successful in predicting the structures of known 2D materials, including single layer and multi-layer graphene, 2D boron nitride (BN) compounds, and some quasi-2D group 6 metals(VIB) chalcogenides. Furthermore, by use of this method, we predict a new family of mono-layered boron nitride structures with different chemical compositions. The first-principles electronic structure calculations reveal that the band gap of these N-rich BN systems can be tuned from 5.40 eV to 2.20 eV by adjusting the composition.

  18. Probing the 2-D Kinematic Structure of Early-Type Galaxies Out to 3 Effective Radii

    NASA Astrophysics Data System (ADS)

    Proctor, Robert N.; Forbes, Duncan A.; Romanowsky, Aaron J.; Brodie, Jean P.; Strader, Jay; Spolaor, Max; Trevor Mendel, J.; Spitler, Lee

    2010-06-01

    We detail an innovative new technique for measuring the 2-D velocity moments (rotation velocity, velocity dispersion and Gauss-Hermite coefficients h3 and h4) using spectra from Keck DEIMOS multi-object spectroscopic observations. The data are used to reconstruct 2-D rotation velocity maps. Here we present data for one of five early-type galaxies whose kinematics we have measured out to ~3 effective radii (see [1]). From these data 2D kinematic maps are constructed. We show such analyses can provide significant insights into the global kinematic structure of galaxies, and, in some cases, challenge the accepted morphological classification. Our results are of particular importance to studies which attempt to classify galaxies by their kinematic structure within one effective radius, such as the recent definition of fast- and slow- rotator classes by the SAURON project.

  19. Interferometric 2D Sum Frequency Generation Spectroscopy Reveals Structural Heterogeneity of Catalytic Monolayers on Transparent Materials.

    PubMed

    Vanselous, Heather; Stingel, Ashley M; Petersen, Poul B

    2017-02-16

    Molecular monolayers exhibit structural and dynamical properties that are different from their bulk counterparts due to their interaction with the substrate. Extracting these distinct properties is crucial for a better understanding of processes such as heterogeneous catalysis and interfacial charge transfer. Ultrafast nonlinear spectroscopic techniques such as 2D infrared (2D IR) spectroscopy are powerful tools for understanding molecular dynamics in complex bulk systems. Here, we build on technical advancements in 2D IR and heterodyne-detected sum frequency generation (SFG) spectroscopy to study a CO2 reduction catalyst on nanostructured TiO2 with interferometric 2D SFG spectroscopy. Our method combines phase-stable heterodyne detection employing an external local oscillator with a broad-band pump pulse pair to provide the first high spectral and temporal resolution 2D SFG spectra of a transparent material. We determine the overall molecular orientation of the catalyst and find that there is a static structural heterogeneity reflective of different local environments at the surface.

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

    PubMed

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

    2016-12-09

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Multiple triangulation analysis: application to determine the velocity of 2-D structures

    NASA Astrophysics Data System (ADS)

    Zhou, X.-Z.; Zong, Q.-G.; Wang, J.; Pu, Z. Y.; Zhang, X. G.; Shi, Q. Q.; Cao, J. B.

    2006-11-01

    In order to avoid the ambiguity of the application of the Triangulation Method (multi-spacecraft timing method) to two-dimensional structures, another version of this method, the Multiple Triangulation Analysis (MTA) is used, to calculate the velocities of these structures based on 4-point measurements. We describe the principle of MTA and apply this approach to a real event observed by the Cluster constellation on 2 October 2003. The resulting velocity of the 2-D structure agrees with the ones obtained by some other methods fairly well. So we believe that MTA is a reliable version of the Triangulation Method for 2-D structures, and thus provides us a new way to describe their motion.

  3. 2D and 3D GPR imaging of structural ceilings in historic and existing constructions

    NASA Astrophysics Data System (ADS)

    Colla, Camilla

    2014-05-01

    GPR applications in civil engineering are to date quite diversified. With respect to civil constructions and monumental buildings, detection of voids, cavities, layering in structural elements, variation of geometry, of moisture content, of materials, areas of decay, defects, cracks have been reported in timber, concrete and masonry elements. Nonetheless, many more fields of investigation remain unexplored. This contribution gives an account of a variety of examples of structural ceilings investigation by GPR radar in reflection mode, either as 2D or 3D data acquisition and visualisation. Ceilings have a pre-eminent role in buildings as they contribute to a good structural behaviour of the construction. Primarily, the following functions can be listed for ceilings: a) they carry vertical dead and live loads on floors and distribute such loads to the vertical walls; b) they oppose to external horizontal forces such as wind loads and earthquakes helping to transfer such forces from the loaded element to the other walls; c) they contribute to create the box skeleton and behaviour of a building, connecting the different load bearing walls and reducing the slenderness and flexural instability of such walls. Therefore, knowing how ceilings are made in specific buildings is of paramount importance for architects and structural engineers. According to the type of building and age of construction, ceilings may present very different solutions and materials. Moreover, in existing constructions, ceilings may have been substituted, modified or strengthened due to material decay or to change of use of the building. These alterations may often go unrecorded in technical documentation or technical drawings may be unavailable. In many cases, the position, orientation and number of the load carrying elements in ceilings may be hidden or not be in sight, due for example to the presence of false ceilings or to technical plants. GPR radar can constitute a very useful tool for

  4. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-01-01

    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. PMID:27796343

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

    PubMed

    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.

  7. Metal-organic extended 2D structures: Fe-PTCDA on Au(111).

    PubMed

    Alvarez, Lucía; Peláez, Samuel; Caillard, Renaud; Serena, Pedro A; Martín-Gago, José A; Méndez, Javier

    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.

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

    NASA Astrophysics Data System (ADS)

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-01

    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.

  9. Fabrication of 2D and 3D photonic structures using laser lithography

    NASA Astrophysics Data System (ADS)

    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. Modes of structurally chiral lasers

    NASA Astrophysics Data System (ADS)

    Topf, René D. M.; McCall, Martin W.

    2014-11-01

    We employ coupled wave theory to enumerate the lasing modes of structurally chiral lasers. The elliptical modes are shown to be fundamentally distinct from those of a scalar distributed feedback laser. High threshold modes are shown to lase with the opposite chirality as the active medium, in contrast to their low-threshold counterparts that lase with the same chirality as the active medium. The lasing mode structure suggests the intriguing possibility of dynamically changing the polarization handedness of a chiral laser, as well as the possibility of lasing within the forbidden band-gap region. These observations arise from the fundamental interplay between the distributed chirality-preserving reflections within the active medium and the localized chirality-reversing reflections at the medium's boundaries.

  11. New Insights to the Sawtooth Oscillation (m/n=1/1 mode) in Hot Plasmas based on High Resolution 2-D Images of Te Fluctuations

    SciTech Connect

    H.K. Park, N.C. Luhmann, Jr, A.J.H. Donné, C.W. Domier, T. Munsat, M.J. Van de Pol, and the TEXTOR Team

    2007-11-26

    Two dimensional (2-D) images of electron temperature fluctuations with high temporal and spatial resolution have been employed to study the sawtooth oscillation (m/n=1/1 mode) in Toroidal EXperiment for Technology Oriented Research (TEXTOR) tokamak plasmas. 2-D imaging data revealed new physics which were not available in previous studies based on the 1-D electron temperature measurement and X-ray tomography. Review of the physics of the sawtooth oscillation is given by comparative studies with prominent theoretical models suggest that a new physics paradigm is needed to describe the reconnection physics of the sawtooth oscillation. The new insights are: A pressure driven instability (not a ballooning mode) leads to the X-point reconnection process. The reconnection process is identified as a random 3-D local reconnection process with a helical structure. The reconnection time scale is similar for different types of sawtooth oscillation ("kink" and tearing type) and is significantly faster than the resistive time scale. Heat flow from the core to the outside of the inversion radius during the reconnection process is highly collective rather than stochastic.

  12. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    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.

  13. A Deformed Shape Monitoring Model for Building Structures Based on a 2D Laser Scanner

    PubMed Central

    Choi, Se Woon; Kim, Bub Ryur; Lee, Hong Min; Kim, Yousok; Park, Hyo Seon

    2013-01-01

    High-rise buildings subjected to lateral loads such as wind and earthquake loads must be checked not to exceed the limits on the maximum lateral displacement or the maximum inter-story drift ratios. In this paper, a sensing model for deformed shapes of a building structure in motion is presented. The deformed shape sensing model based on a 2D scanner consists of five modules: (1) module for acquiring coordinate information of a point in a building; (2) module for coordinate transformation and data arrangement for generation of time history of the point; (3) module for smoothing by adjacent averaging technique; (4) module for generation of the displacement history for each story and deformed shape of a building, and (5) module for evaluation of the serviceability of a building. The feasibility of the sensing model based on a 2D laser scanner is tested through free vibration tests of a three-story steel frame structure with a relatively high slenderness ratio of 5.0. Free vibration responses measured from both laser displacement sensors and a 2D laser scanner are compared. In the experimentation, the deformed shapes were obtained from three different methods: the model based on the 2D laser scanner, the direct measurement based on laser displacement sensors, and the numerical method using acceleration data and the displacements from GPS. As a result, it is confirmed that the deformed shape measurement model based on a 2D laser scanner can be a promising alternative for high-rise buildings where installation of laser displacement sensors is impossible. PMID:23698269

  14. The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound

    SciTech Connect

    Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.

    2014-10-15

    We report the first quantitative analysis of the structural evolution of a uranyl bearing coordination polymer in response to pressure. The material that is central to this study, (UO{sub 2})(O{sub 3}PCH{sub 2}CO{sub 2}H) (1), is constructed from rigid 2D inorganic layers comprising edge sharing UO{sub 7} pentagonal bipyramids cross-linked by [PO{sub 3}(COOH)]{sup 2−} anions. Strong hydrogen bonding interactions exist between the pendent carboxylic acid groups on adjacent layers. Under pressure, 1 exhibits compressional behaviour primarily in the direction perpendicular to the inorganic layers, which is aided by a reduction in the interlayer distance and shifting of the layers with respect to each other. The bulk modulus for the 2D compound 1 is unexpectedly high [18.1(1) GPa] and is within the range reported for 3D CPs assembled from Zn{sup II} cations and inflexible imidazolate anions, and is at the lower end of the range of moduli observed for aluminosilicate zeolites (19–59 GPa). - Graphical Abstract: The compression mechanism and elastic constants for a 2D Uranium(VI) carboxyphosphonoate compound are reported. - Highlights: • The response to pressure of a uranium carboxyphosphonoate compound has been studied. • High-pressure single-crystal XRD data for this 2D uranium compound were collected. • Elastic constants for this material have been determined. • The compression mechanism for the compound has been elucidated.

  15. Lipid-gramicidin interactions: dynamic structure of the boundary lipid by 2D-ELDOR.

    PubMed

    Costa-Filho, Antonio J; Crepeau, Richard H; Borbat, Petr P; Ge, Mingtao; Freed, Jack H

    2003-05-01

    The use of 2D-electron-electron double resonance (2D-ELDOR) for the characterization of the boundary lipid in membrane vesicles of DPPC and gramicidin A' (GA) is reported. We show that 2D-ELDOR, with its enhanced spectral resolution to dynamic structure as compared with continuous-wave electron spin resonance, provides a reliable and useful way of studying lipid-protein interactions. The 2D-ELDOR spectra of the end-chain spin label 16-PC in DPPC/GA vesicles is composed of two components, which are assigned to the bulk lipids (with sharp auto peaks and crosspeaks) and to the boundary lipids (with broad auto peaks). Their distinction is clearest for higher temperatures and higher GA concentrations. The quantitative analysis of these spectra shows relatively faster motions and very low ordering for the end chain of the bulk lipids, whereas the boundary lipids show very high "y-ordering" and slower motions. The y-ordering represents a dynamic bending at the end of the boundary lipid acyl chain, which can then coat the GA molecules. These results are consistent with the previous studies by Ge and Freed (1999) using continuous-wave electron spin resonance, thereby supporting their model for GA aggregation and H(II) phase formation for high GA concentrations. Improved instrumental and simulation methods have been employed.

  16. Laser characterization of the unsteady 2-D ion flow field in a Hall thruster with breathing mode oscillations

    NASA Astrophysics Data System (ADS)

    Lucca Fabris, Andrea; Young, Christopher; MacDonald-Tenenbaum, Natalia; Hargus, William, Jr.; Cappelli, Mark

    2016-10-01

    Hall thrusters are a mature form of electric propulsion for spacecraft. One commonly observed low frequency (10-50 kHz) discharge current oscillation in these E × B devices is the breathing mode, linked to a propagating ionization front traversing the channel. The complex time histories of ion production and acceleration in the discharge channel and near-field plume lead to interesting dynamics and interactions in the central plasma jet and downstream plume regions. A time-resolved laser-induced fluorescence (LIF) diagnostic non-intrusively measures 2-D ion velocity and relative ion density throughout the plume of a commercial BHT-600 Hall thruster manufactured by Busek Co. Low velocity classes of ions observed in addition to the main accelerated population are linked to propellant ionization outside of the device. Effects of breathing mode dynamics are shown to persist far downstream where modulations in ion velocity and LIF intensity are correlated with discharge current oscillations. This work is sponsored by the U.S. Air Force Office of Scientific Research with Dr. M. Birkan as program manager. C.Y. acknowledges support from the DOE NSSA Stewardship Science Graduate Fellowship under contract DE-FC52-08NA28752.

  17. Hydrogen-bond-assisted "gold cold fusion" for fabrication of 2D web structures.

    PubMed

    Mandal, Saikat; Shundo, Atsuomi; Acharya, Somobrata; Hill, Jonathan P; Ji, Qingmin; Ariga, Katsuhiko

    2009-07-06

    Keeping their cool: Fabrication of a 2D weblike nanonetwork of gold was successfully demonstrated through a two-step procedure including complexation of gold precursors to a weblike supramolecular assembly of surfactant followed by in situ reduction of the precursors to gold. Molecular assemblies stabilized by hydrogen bonding provided a sound template, leading to the highly integrated structure of gold through room-temperature (cold) nanostructure fusion.

  18. Well-defined azazirconacyclopropane complexes supported on silica structurally determined by 2D NMR comparative elucidation.

    PubMed

    El Eter, Mohamad; Hamzaoui, Bilel; Abou-Hamad, Edy; Pelletier, Jérémie D A; Basset, Jean-Marie

    2013-05-21

    Grafting of Zr(NMe2)4 on mesoporous silica SBA-15 afforded selectively well-defined surface species [triple bond, length as m-dash]SiOZr(NMe2)(η2NMeCH2). 2D solid-state NMR ((1)H-(13)C HETCOR, Multiple Quantum) experiments have shown a unique structural rearrangement occurring on the immobilised zirconium bis methylamido ligand.

  19. Improved structural quality of AlN grown on sapphire by 3D/2D alternation growth

    NASA Astrophysics Data System (ADS)

    Guo, Yanmin; Fang, Yulong; Yin, Jiayun; Zhang, Zhirong; Wang, Bo; Li, Jia; Lu, Weili; Feng, Zhihong

    2017-04-01

    Three dimensional (3D) and two dimensional (2D) alternation growth was used to grow AlN epitaxial layers on sapphire substrates. AlN samples grown using this technique have higher crystalline quality and lower dislocation density than samples grown using only 3D or 2D growth modes as witnessed by the high-resolution X-ray diffraction. Smooth atomic terraces with root mean square roughness of 0.107 nm were observed using atomic force microscopy (AFM) when the 3D and 2D AlN were 75 nm and 425 nm, respectively. This sample possesses single crystallographic orientation along the c-axis identified by Raman spectroscopy. Furthermore, the 3D/2D alternating growth mode modulates internal stress in AlN epitaxial layer by adjusting 2D AlN thickness, and the mechanism was studied in detail.

  20. Evolution of 2D Visible and VUV Divertor Emission Profiles During DIII-D H-MODE Detachment Transitions

    NASA Astrophysics Data System (ADS)

    Fenstermacher, M. E.; Jalufka, N.; Meyer, W. H.; Nilson, D. G.; Gafert, J.

    1999-07-01

    The peak heat flux to divertor target surfaces (Pdiv) must be reduced, compared with present experimental levels, before a tokamak operating in the high confinement regime (H-mode) can be extrapolated to a reactor. Partially Detached Divertor (PDD) operation (1), in which deuterium gas is injected into an H-mode plasma, reduces Pdiv by factors of 3-5 in DIII-D. A key element in the physics model of PDD operation is that carbon radiation near the X-point dissipates the energy flowing in the scrape-off-layer (SOL) before it enters the divertor (2). This allows the divertor temperature to be low, density to be high and thereby reduces the heat flux and ion particle flux to the targets both by reduced recycling and increased recombination. Previous line integrated SPRED measurements (3) and computer simulations indicated that the 155 nm (Delta)n = 0 transition of C3+ was the main power radiator from carbon during PDD operation. This paper presents the first 2D profiles of 155 nm CIV emission in any tokamak divertor. The images were obtained on DIII-D with a new tangentially viewing VUV camera (4) and established image reconstruction techniques (5). The discharges were lower single null configurations with, I p = 1.75 MA, BT = 2.1 (Tau), q95 = 3.2, Pinj = 9 MW, (kappa) = 1.9 and the (nabla)B drift toward the lower divertor. After establishing an ELMing H-mode with neutral beam injection, deuterium gas was injected at 17 Pa m3/s (130 T (ell)/s) to increase the divertor density and produce a transition to PDD operation. A practical discharge scenario is given in Ref. (2).

  1. Locally adaptive 2D-3D registration using vascular structure model for liver catheterization.

    PubMed

    Kim, Jihye; Lee, Jeongjin; Chung, Jin Wook; Shin, Yeong-Gil

    2016-03-01

    Two-dimensional-three-dimensional (2D-3D) registration between intra-operative 2D digital subtraction angiography (DSA) and pre-operative 3D computed tomography angiography (CTA) can be used for roadmapping purposes. However, through the projection of 3D vessels, incorrect intersections and overlaps between vessels are produced because of the complex vascular structure, which makes it difficult to obtain the correct solution of 2D-3D registration. To overcome these problems, we propose a registration method that selects a suitable part of a 3D vascular structure for a given DSA image and finds the optimized solution to the partial 3D structure. The proposed algorithm can reduce the registration errors because it restricts the range of the 3D vascular structure for the registration by using only the relevant 3D vessels with the given DSA. To search for the appropriate 3D partial structure, we first construct a tree model of the 3D vascular structure and divide it into several subtrees in accordance with the connectivity. Then, the best matched subtree with the given DSA image is selected using the results from the coarse registration between each subtree and the vessels in the DSA image. Finally, a fine registration is conducted to minimize the difference between the selected subtree and the vessels of the DSA image. In experimental results obtained using 10 clinical datasets, the average distance errors in the case of the proposed method were 2.34±1.94mm. The proposed algorithm converges faster and produces more correct results than the conventional method in evaluations on patient datasets.

  2. Reflection high-energy electron diffraction measurements of reciprocal space structure of 2D materials.

    PubMed

    Xiang, Y; Guo, F-W; Lu, T-M; Wang, G-C

    2016-12-02

    Knowledge on the symmetry and perfection of a 2D material deposited or transferred to a surface is very important and valuable. We demonstrate a method to map the reciprocal space structure of 2D materials using reflection high energy diffraction (RHEED). RHEED from a 2D material gives rise to 'streaks' patterns. It is shown that from these streaks patterns at different azimuthal rotation angles that the reciprocal space intensity distribution can be constructed as a function of momentum transfer parallel to the surface. To illustrate the principle, we experimentally constructed the reciprocal space structure of a commercial graphene/SiO2/Si sample in which the graphene layer was transferred to the SiO2/Si substrate after it was deposited on a Cu foil by chemical vapor deposition. The result reveals a 12-fold symmetry of the graphene layer which is a result of two dominant orientation domains with 30° rotation relative to each other. We show that the graphene can serve as a template to grow other materials such as a SnS film that follows the symmetry of graphene.

  3. 1d, 2d, and 3d periodic structures: Electromagnetic characterization, design, and measurement

    NASA Astrophysics Data System (ADS)

    Brockett, Timothy John

    Periodic structures have many useful applications in electromagnetics including phased arrays, frequency selective surfaces, and absorbing interfaces. Their unique properties can be used to provide increased performance in antenna gain, electromagnetic propagation, and electromagnetic absorption. In antenna arrays, repeating elements create a larger eective aperture, increasing the gain of the antenna and the ability to scan the direction of the main beam. Three-dimensional periodic structures, such as an array of shaped pillars such as columns, cones, or prisms have the potential of improving electromagnetic absorption, improving performance in applications such as solar cell eciency and absorbing interfaces. Furthermore, research into periodic structures is a continuing endeavor where novel approaches and analysis in appropriate applications can be sought. This dissertation will address the analysis, diagnostics, and enhancement of 1D, 2D, and 3D periodic structures for antenna array applications and solar cell technology. In particular, a unique approach to array design will be introduced to prevent the appearance of undesirable grating lobes in large antenna arrays that employ subarrays. This approach, named the distortion diagnostic procedure, can apply directly to 1D and 2D periodic structures in the form of planar antenna arrays. Interesting corollaries included here are developments in millimeter-wave antenna measurements including spiral planar scanning, phaseless measurements, and addressing antennas that feature an internal source. Finally, analysis and enhancement of 3D periodic structures in nanostructure photovoltaic arrays and absorbing interfaces will be examined for their behavior and basic operation in regards to improved absorption of electromagnetic waves.

  4. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    NASA Astrophysics Data System (ADS)

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-07-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.

  5. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.

    PubMed

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-07-12

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.

  6. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    PubMed Central

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-01-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589

  7. Structural transformation in monolayer materials: a 2D to 1D transformation.

    PubMed

    Momeni, Kasra; Attariani, Hamed; LeSar, Richard A

    2016-07-20

    Reducing the dimensions of materials to atomic scales results in a large portion of atoms being at or near the surface, with lower bond order and thus higher energy. At such scales, reduction of the surface energy and surface stresses can be the driving force for the formation of new low-dimensional nanostructures, and may be exhibited through surface relaxation and/or surface reconstruction, which can be utilized for tailoring the properties and phase transformation of nanomaterials without applying any external load. Here we used atomistic simulations and revealed an intrinsic structural transformation in monolayer materials that lowers their dimension from 2D nanosheets to 1D nanostructures to reduce their surface and elastic energies. Experimental evidence of such transformation has also been revealed for one of the predicted nanostructures. Such transformation plays an important role in bi-/multi-layer 2D materials.

  8. 2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures

    NASA Astrophysics Data System (ADS)

    Righetti, F.; Telley, H.; Leibling, Th. M.; Mocellin, A.

    1992-01-01

    2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — local boundary curvatures are neglected for simplicity. Using elementary analytical geometry relations, a range of metric and topological parameters describing the population are then computed, organized into statistical distributions and graphically displayed.

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

    NASA Astrophysics Data System (ADS)

    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. Robust 2D principal component analysis: a structured sparsity regularized approach.

    PubMed

    Yipeng Sun; Xiaoming Tao; Yang Li; Jianhua Lu

    2015-08-01

    Principal component analysis (PCA) is widely used to extract features and reduce dimensionality in various computer vision and image/video processing tasks. Conventional approaches either lack robustness to outliers and corrupted data or are designed for one-dimensional signals. To address this problem, we propose a robust PCA model for two-dimensional images incorporating structured sparse priors, referred to as structured sparse 2D-PCA. This robust model considers the prior of structured and grouped pixel values in two dimensions. As the proposed formulation is jointly nonconvex and nonsmooth, which is difficult to tackle by joint optimization, we develop a two-stage alternating minimization approach to solve the problem. This approach iteratively learns the projection matrices by bidirectional decomposition and utilizes the proximal method to obtain the structured sparse outliers. By considering the structured sparsity prior, the proposed model becomes less sensitive to noisy data and outliers in two dimensions. Moreover, the computational cost indicates that the robust two-dimensional model is capable of processing quarter common intermediate format video in real time, as well as handling large-size images and videos, which is often intractable with other robust PCA approaches that involve image-to-vector conversion. Experimental results on robust face reconstruction, video background subtraction data set, and real-world videos show the effectiveness of the proposed model compared with conventional 2D-PCA and other robust PCA algorithms.

  11. Investigating fold structures of 2D materials by quantitative transmission electron microscopy.

    PubMed

    Wang, Zhiwei; Zhang, Zengming; Liu, Wei; Wang, Zhong Lin

    2017-04-01

    We report an approach developed for deriving 3D structural information of 2D membrane folds based on the recently-established quantitative transmission electron microscopy (TEM) in combination with density functional theory (DFT) calculations. Systematic multislice simulations reveal that the membrane folding leads to sufficiently strong electron scattering which enables a precise determination of bending radius. The image contrast depends also on the folding angles of 2D materials due to the variation of projection potentials, which however exerts much smaller effect compared with the bending radii. DFT calculations show that folded edges are typically characteristic of (fractional) nanotubes with the same curvature retained after energy optimization. Owing to the exclusion of Stobbs factor issue, numerical simulations were directly used in comparison with the experimental measurements on an absolute contrast scale, which results in a successful determination of bending radius of folded monolayer MoS2 films. The method should be applicable to characterizing all 2D membranes with 3D folding features.

  12. 2D coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.

    PubMed

    Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng

    2012-05-14

    Five new 2D coordination polymers, [Co(nip)(CuL)(H(2)O)]·CH(3)OH (1), [Mn(ip)(NiL)]·0.63H(2)O (2), [Cu(ip)(CuL)] (3), [Mn(6)(CuL)(6)(btc)(4)(H(2)O)(4)]·7H(2)O (4), and [Cu(CuL)(Hbtc)(H(2)O)] (5)(ML, H(2)L = 2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-diene; H(2)nip = 5-nitroisophthalic acid; H(2)ip = m-isophthalic acid; H(3)btc = 1,3,5-benzenetricarboxylic acid) have been synthesized by a solvothermal method and characterized by single-crystal X-ray diffraction. Complexes 1-5 exhibit different 2D layered structures formed by Co(2)Cu(2) (1), Mn(2)Ni(2) (2), Cu(4) (3), Mn(3)Ni(3) (4), Cu(4) (5) units, respectively, via the oxamide and diverse carboxylic acid bridges. Compounds 1, 2, 3 and 5 are uninodal 4-connected (4, 4)-grids topology, while complex 4 possesses a 2D network with (3, 4)-connected (4(2).8)(4)(4(3).6(2).8)(3) topology. The results of magnetic determination show pronounced antiferromagnetic interactions in 1-4.

  13. Transverse Strains in Muscle Fascicles during Voluntary Contraction: A 2D Frequency Decomposition of B-Mode Ultrasound Images

    PubMed Central

    Wakeling, James M.

    2014-01-01

    When skeletal muscle fibres shorten, they must increase in their transverse dimensions in order to maintain a constant volume. In pennate muscle, this transverse expansion results in the fibres rotating to greater pennation angle, with a consequent reduction in their contractile velocity in a process known as gearing. Understanding the nature and extent of this transverse expansion is necessary to understand the mechanisms driving the changes in internal geometry of whole muscles during contraction. Current methodologies allow the fascicle lengths, orientations, and curvatures to be quantified, but not the transverse expansion. The purpose of this study was to develop and validate techniques for quantifying transverse strain in skeletal muscle fascicles during contraction from B-mode ultrasound images. Images were acquired from the medial and lateral gastrocnemii during cyclic contractions, enhanced using multiscale vessel enhancement filtering and the spatial frequencies resolved using 2D discrete Fourier transforms. The frequency information was resolved into the fascicle orientations that were validated against manually digitized values. The transverse fascicle strains were calculated from their wavelengths within the images. These methods showed that the transverse strain increases while the longitudinal fascicle length decreases; however, the extent of these strains was smaller than expected. PMID:25328509

  14. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    DOE PAGES

    Mashtalir, O.; Lukatskaya, Maria R.; Kolesnikov, Alexander I.; ...

    2016-03-25

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. Furthermore, the hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g–1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  15. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene).

    PubMed

    Mashtalir, O; Lukatskaya, M R; Kolesnikov, A I; Raymundo-Piñero, E; Naguib, M; Barsoum, M W; Gogotsi, Y

    2016-04-28

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g(-1) in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  16. Nonlinear soil-structure interaction calculations simulating the SIMQUAKE experiment using STEALTH 2D

    NASA Technical Reports Server (NTRS)

    Tang, H. T.; Hofmann, R.; Yee, G.; Vaughan, D. K.

    1980-01-01

    Transient, nonlinear soil-structure interaction simulations of an Electric Power Research Institute, SIMQUAKE experiment were performed using the large strain, time domain STEALTH 2D code and a cyclic, kinematically hardening cap soil model. Results from the STEALTH simulations were compared to identical simulations performed with the TRANAL code and indicate relatively good agreement between all the STEALTH and TRANAL calculations. The differences that are seen can probably be attributed to: (1) large (STEALTH) vs. small (TRANAL) strain formulation and/or (2) grid discretization differences.

  17. Structure and Dynamics of Asymmetric Poly(styrene-b-1,4-isoprene) Diblock Copolymer under 1D and 2D Nanoconfinement.

    PubMed

    Kipnusu, Wycliffe K; Elmahdy, Mahdy M; Mapesa, Emmanuel U; Zhang, Jianqi; Böhlmann, Winfried; Smilgies, Detlef-M; Papadakis, Christine M; Kremer, Friedrich

    2015-06-17

    The impact of 1- and 2-dimensional (2D) confinement on the structure and dynamics of poly(styrene-b-1,4-isoprene) P(S-b-I) diblock copolymer is investigated by a combination of Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), Grazing-Incidence Small-Angle X-ray Scattering (GISAXS), and Broadband Dielectric Spectroscopy (BDS). 1D confinement is achieved by spin coating the P(S-b-I) to form nanometric thin films on silicon substrates, while in the 2D confinement, the copolymer is infiltrated into cylindrical anodized aluminum oxide (AAO) nanopores. After dissolving the AAO matrix having mean pore diameter of 150 nm, the SEM images of the exposed P(S-b-I) show straight nanorods. For the thin films, GISAXS and AFM reveal hexagonally packed cylinders of PS in a PI matrix. Three dielectrically active relaxation modes assigned to the two segmental modes of the styrene and isoprene blocks and the normal mode of the latter are studied selectively by BDS. The dynamic glass transition, related to the segmental modes of the styrene and isoprene blocks, is independent of the dimensionality and the finite sizes (down to 18 nm) of confinement, but the normal mode is influenced by both factors with 2D geometrical constraints exerting greater impact. This reflects the considerable difference in the length scales on which the two kinds of fluctuations take place.

  18. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    NASA Astrophysics Data System (ADS)

    Mashtalir, O.; Lukatskaya, M. R.; Kolesnikov, A. I.; Raymundo-Piñero, E.; Naguib, M.; Barsoum, M. W.; Gogotsi, Y.

    2016-04-01

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm. Electronic supplementary information (ESI) available: Characterization methods, additional XRD patterns (Fig. S1) and INS spectra (Fig. S2-S4). See DOI: 10.1039/c6nr01462c

  19. Bifurcations of edge states—topologically protected and non-protected—in continuous 2D honeycomb structures

    NASA Astrophysics Data System (ADS)

    Fefferman, C. L.; Lee-Thorp, J. P.; Weinstein, M. I.

    2016-03-01

    Edge states are time-harmonic solutions to energy-conserving wave equations, which are propagating parallel to a line-defect or ‘edge’ and are localized transverse to it. This paper summarizes and extends the authors’ work on the bifurcation of topologically protected edge states in continuous two-dimensional (2D) honeycomb structures. We consider a family of Schrödinger Hamiltonians consisting of a bulk honeycomb potential and a perturbing edge potential. The edge potential interpolates between two different periodic structures via a domain wall. We begin by reviewing our recent bifurcation theory of edge states for continuous 2D honeycomb structures (http://arxiv.org/abs/1506.06111). The topologically protected edge state bifurcation is seeded by the zero-energy eigenstate of a one-dimensional Dirac operator. We contrast these protected bifurcations with (more common) non-protected bifurcations from spectral band edges, which are induced by bound states of an effective Schrödinger operator. Numerical simulations for honeycomb structures of varying contrasts and ‘rational edges’ (zigzag, armchair and others), support the following scenario: (a) for low contrast, under a sign condition on a distinguished Fourier coefficient of the bulk honeycomb potential, there exist topologically protected edge states localized transverse to zigzag edges. Otherwise, and for general edges, we expect long lived edge quasi-modes which slowly leak energy into the bulk. (b) For an arbitrary rational edge, there is a threshold in the medium-contrast (depending on the choice of edge) above which there exist topologically protected edge states. In the special case of the armchair edge, there are two families of protected edge states; for each parallel quasimomentum (the quantum number associated with translation invariance) there are edge states which propagate in opposite directions along the armchair edge.

  20. Laser Mode Structure Experiments for Undergraduate Laboratories.

    ERIC Educational Resources Information Center

    Phillips, Richard A.; Gehrz, Robert D.

    Experiments dealing with laser mode structure are presented which are suitable for an upper division undergraduate laboratory. The theory of cavity modes is summarized. The mode structure of the radiation from a helium-neon laser is measured by using a photodiode detector and spectrum analyzer to detect intermode beating. Off-axial modes can be…

  1. Effects of Strike on Automatic Depth Estimation for 2D Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Bastani, M.; Kero, L.; Pedersen, L. B.; Johansson, R.

    2006-12-01

    Many analysis methods have been developed to process densely sampled magnetic and/or gravity data to estimate source parameters. Werner deconvolution (Werner, 1953), analytic signal (Nabighian, 1972) and Euler deconvolution(Thompson, 1983) are among the most popular methods. They work either on profile data (Bastani and Pedersen, 2001) or on a regular grid (Thurston et al., 2002). All methods developed to estimate source parameters of the 2D magnetic structures work in the strike co-ordinate system. Werner deconvolution makes use of profile data to locate and compute the depth to the top and dip of thin sheets (dikes) with infinite strike and depth extent. Nabighian (1972) introduced the analytic signal to calculate the dip and depth to a set of 2D magnetic sources. The strike angle is assumed to be the same for all the magnetic anomalies along the profile. These methods use the horizontal and vertical derivatives of the total magnetic field to estimate the source parameters. While the vertical derivative is independent of strike direction the horizontal derivative is proportional to the sine of the angle between the profile and strike directions: the profile angle. Bastani and Pedersen (2001) used the analytic signal of the total magnetic field anomaly along a profile to estimate the dip, depth, width and strike of dikes. They introduced a method to estimate the strike of various anomalies at selected points along profiles by searching for coherent signals in neighboring profiles. Here we have used the same method to estimate strike of 2D anomalies. In order to illustrate the importance of strike angle on the estimated source parameters we have constructed synthetic data from a model that comprises a set of thin dikes with the same physical characteristics but with different strikes. We then applied 2D Werner deconvolution, 2D analytic signal (by Bastani and Pedersen), 2D and 3D Euler deconvolution to the data set. As expected the depth estimates are highly biased

  2. Structural and magnetic properties of DyMn(2)D(6) synthesized under high deuterium pressure.

    PubMed

    Paul-Boncour, V; Filipek, S M; Wierzbicki, R; André, G; Bourée, F; Guillot, M

    2009-01-07

    DyMn(2)D(6) has been prepared by applying high gaseous deuterium pressure on DyMn(2). This phase is isostructural with other RMn(2)D(6) (R = Y, Er) compounds and crystallizes with a K(2)PtCl(6) type structure having an ordered anion and a partially disordered cation arrangement because Dy and half the Mn atoms are randomly substituted in the same 8c site. The reverse susceptibility follows a Curie-Weiss law with an effective moment of 10 μ(B) similar to that of DyMn(2). Short range magnetic order, corresponding to ferromagnetic correlations, is observed in the neutron patterns up to 10 K and can be attributed to Dy-Dy interactions. The decomposition of the deuteride into Mn and DyD(2), studied by thermal gravimetric analysis, occurs between 470 and 650 K. A further deuterium desorption takes place above 920 K.

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

    SciTech Connect

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

    SciTech Connect

    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.

  5. Controlling the Dynamics of the Five-Mode Truncation System of the 2-d Navier-Stokes Equations

    NASA Astrophysics Data System (ADS)

    Smaoui, Nejib; Zribi, Mohamed

    2015-11-01

    The dynamics and the control problem of the two dimensional (2-d) Navier-Stokes (N-S) equations with spatially periodic and temporally steady forcing is addressed. At first, the Fourier Galerkin method is applied to the 2-d N-S equations to obtain a fifth order system of nonlinear ordinary differential equations (ODE) that approximates the behavior of these equations. Simulation studies indicate that the obtained ODE system captures the behavior of the 2-d N-S equations. Then, a control law is proposed to drive the states of the ODE system to a desired fixed point. Next, a second control law is developed to synchronize two reduced order ODE models of the 2-d N-S equations having the same Reynolds number and starting from different initial conditions. Finally, simulation results are undertaken to validate the theoretical developments. This research was supported and funded by the Research Sector, Kuwait University under Grant No. SM 05/15.

  6. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    SciTech Connect

    Mashtalir, O.; Lukatskaya, Maria R.; Kolesnikov, Alexander I.; Raymundo-Pinero, E.; Naguib, Michael; Barsoum, M. W.; Gogotsi, Yury G.

    2016-03-25

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. Furthermore, the hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g–1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  7. A novel simple procedure to consider seismic soil structure interaction effects in 2D models

    NASA Astrophysics Data System (ADS)

    Jaramillo, Juan Diego; Gómez, Juan David; Restrepo, Doriam; Rivera, Santiago

    2014-09-01

    A method is proposed to estimate the seismic soil-structure-interaction (SSI) effects for use in engineering practice. It is applicable to 2D structures subjected to vertically incident shear waves supported by homogenous half-spaces. The method is attractive since it keeps the simplicity of the spectral approach, overcomes some of the difficulties and inaccuracies of existing classical techniques and yet it considers a physically consistent excitation. This level of simplicity is achieved through a response spectra modification factor that can be applied to the free-field 5%-damped response spectra to yield design spectral ordinates that take into account the scattered motions introduced by the interaction effects. The modification factor is representative of the Transfer Function (TF) between the structural relative displacements and the free-field motion, which is described in terms of its maximum amplitude and associated frequency. Expressions to compute the modification factor by practicing engineers are proposed based upon a parametric study using 576 cases representative of actual structures. The method is tested in 10 cases spanning a wide range of common fundamental vibration periods.

  8. Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials--A general bond polarizability model.

    PubMed

    Luo, Xin; Lu, Xin; Cong, Chunxiao; Yu, Ting; Xiong, Qihua; Quek, Su Ying

    2015-10-15

    2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical z(xx)z configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials.

  9. Development of fracture facets from a crack loaded in mode I+III: Solution and application of a model 2D problem

    NASA Astrophysics Data System (ADS)

    Leblond, Jean-Baptiste; Frelat, Joël

    2014-03-01

    It is experimentally well-known that a crack loaded in mode I+III propagates through formation of discrete fracture facets inclined at a certain tilt angle on the original crack plane, depending on the ratio of the mode III to mode I initial stress intensity factors. Pollard et al. (1982) have proposed to calculate this angle by considering the tractions on all possible future infinitesimal facets and assuming shear tractions to be zero on that which will actually develop. In this paper we consider the opposite case of well-developed facets; the stress field near the lateral fronts of such facets becomes independent of the initial crack and essentially 2D in a plane perpendicular to the main direction of crack propagation. To determine this stress field, we solve the model 2D problem of an infinite plate containing an infinite periodic array of cracks inclined at some angle on a straight line, and loaded through uniform stresses at infinity. This is done first analytically, for small values of this angle, by combining Muskhelishvili's (1953) formalism and a first-order perturbation procedure. The formulae found for the 2D stress intensity factors are then extended in an approximate way to larger angles by using another reference solution, and finally assessed through comparison with some finite element results. To finally illustrate the possible future application of these formulae to the prediction of the stationary tilt angle, we introduce the tentative assumption that the 2D mode II stress intensity factor is zero on the lateral fronts of the facets. An approximate formula providing the tilt angle as a function of the ratio of the mode III to mode I stress intensity factors of the initial crack is deduced from there. This formula, which slightly depends on the type of loading imposed, predicts somewhat smaller angles than that of Pollard et al. (1982).

  10. Structure Integral Transform Versus Radon Transform: A 2D Mathematical Tool for Invariant Shape Recognition.

    PubMed

    Wang, Bin; Gao, Yongsheng

    2016-12-01

    In this paper, we present a novel mathematical tool, Structure Integral Transform (SIT), for invariant shape description and recognition. Different from the Radon Transform (RT), which integrates the shape image function over a 1D line in the image plane, the proposed SIT builds upon two orthogonal integrals over a 2D K -cross dissecting structure spanning across all rotation angles by which the shape regions are bisected in each integral. The proposed SIT brings the following advantages over the RT: 1) it has the extra function of describing the interior structural relationship within the shape which provides a more powerful discriminative ability for shape recognition; 2) the shape regions are dissected by the K -cross in a coarse to fine hierarchical order that can characterize the shape in a better spatial organization scanning from the center to the periphery; and 3) it is easier to build a completely invariant shape descriptor. The experimental results of applying SIT to shape recognition demonstrate its superior performance over the well-known Radon transform, and the well-known shape contexts and the polar harmonic transforms.

  11. Methods to determine the Orientation and Velocity of 2-D structures based on multi- spacecraft data

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Pu, Z.; Zhou, X.; Wang, J.; Zong, Q.; Shi, Q.

    2006-12-01

    Many techniques have been developed to study the axial orientation and/or velocity of 2-D structures (flux ropes), by analyzing in situ data from single or multiple spacecraft. To obtain the axial orientation, there are magnetic based MVA (BMVA), current based MVA (CMVA), Minimum Direction Derivative (MDD) and Multiple Triangulation Analysis (MTA) as a modified version of timing method. To further calculate the velocity, we have DeHoffmann-Teller analysis, Spatio-Temporal Difference (STD) and several version of timing method including MTA. After a brief introduction on the principle of these methods, we theoretically estimate their error ranges based on modeled structures to examine the validity of these techniques. Because of their different principles, their error bars are shown to be distinct, depending on the parameters (such as radius, model selected and even the satellite crossing path) of the certain structure. The error estimation thus provides us some clue on the selection of methods under different conditions. Some real events are further analyzed using these techniques as the example.

  12. Computational Study and Analysis of Structural Imperfections in 1D and 2D Photonic Crystals

    SciTech Connect

    Maskaly, Karlene Rosera

    2005-06-01

    increasing RMS roughness. Again, the homogenization approximation is able to predict these results. The problem of surface scratches on 1D photonic crystals is also addressed. Although the reflectivity decreases are lower in this study, up to a 15% change in reflectivity is observed in certain scratched photonic crystal structures. However, this reflectivity change can be significantly decreased by adding a low index protective coating to the surface of the photonic crystal. Again, application of homogenization theory to these structures confirms its predictive power for this type of imperfection as well. Additionally, the problem of a circular pores in 2D photonic crystals is investigated, showing that almost a 50% change in reflectivity can occur for some structures. Furthermore, this study reveals trends that are consistent with the 1D simulations: parameter changes that increase the absolute reflectivity of the photonic crystal will also increase its tolerance to structural imperfections. Finally, experimental reflectance spectra from roughened 1D photonic crystals are compared to the results predicted computationally in this thesis. Both the computed and experimental spectra correlate favorably, validating the findings presented herein.

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

    PubMed

    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.

  14. Quantitative 2D HSQC NMR determination of polymer structures by selecting suitable internal standard references.

    PubMed

    Zhang, Liming; Gellerstedt, Göran

    2007-01-01

    A new analytical method based on the 2D HSQC NMR sequence is presented, which can be applied for quantitative structural determination of complicated polymers. The influence of T1 and T2 relaxations, off-resonance effects, coupling constants and homonuclear couplings are discussed. It was found that the T2 values measured on polymeric samples with the conventional HSQC-CPMG sequence could not be used to correct the errors caused by T2 relaxations during the polarization transfer delay. A unique way of selecting the proper internal standard reference signal(s) is therefore proposed to eliminate the major errors caused by T2 relaxations, resonance offsets, coupling constant deviations and homonuclear couplings. Two polymer samples, a cellulose triacetate and an acetylated lignin, have been used to illustrate the principles. The methodology developed in this work is robust to instrument miss-setting and it can find wide-spread applications in areas where a quantitative analysis of structurally complicated polymers is necessary.

  15. 2D FT-IR Study of Compositional and Structural Change in Developing Cotton Fibers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of immature and mature cotton fibers. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity of 660 cm-1 to ...

  16. Identification of the Excited-State C═C and C═O Modes of trans-β-Apo-8'-carotenal with Transient 2D-IR-EXSY and Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Di Donato, Mariangela; Ragnoni, Elena; Lapini, Andrea; Kardaś, Tomasz M; Ratajska-Gadomska, Boźena; Foggi, Paolo; Righini, Roberto

    2015-05-07

    Assigning the vibrational modes of molecules in the electronic excited state is often a difficult task. Here we show that combining two nonlinear spectroscopic techniques, transient 2D exchange infrared spectroscopy (T2D-IR-EXSY) and femtosecond stimulated Raman spectroscopy (FSRS), the contribution of the C═C and C═O modes in the excited-state vibrational spectra of trans-β-apo-8'-carotenal can be unambiguously identified. The experimental results reported in this work confirm a previously proposed assignment based on quantum-chemical calculations and further strengthen the role of an excited state with charge-transfer character in the relaxation pathway of carbonyl carotenoids. On a more general ground, our results highlight the potentiality of nonlinear spectroscopic methods based on the combined use of visible and infrared pulses to correlate structural and electronic changes in photoexcited molecules.

  17. Dynamic molecular structure and phase diagram of DPPC-cholesterol binary mixtures: a 2D-ELDOR study.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Freed, Jack H

    2007-09-27

    This paper is an application of 2D electron-electron double resonance (2D-ELDOR) with the "full Sc- method" to study model membranes. We obtain and confirm the phase diagram of 1,2-dipalmitoyl-sn-glycerophosphatidylcholine (DPPC)-cholesterol binary mixtures versus temperature and provide quantitative descriptions for its dynamic molecular structure using 2D-ELDOR at the Ku band. The spectra from the end-chain 16-PC spin label in multilamellar phospholipid vesicles are obtained for cholesterol molar concentrations ranging from 0 to 50% and from 25 to 60 degrees C. This phase diagram consists of liquid-ordered, liquid-disordered, and gel phases and phase coexistence regions. The phase diagram is carefully examined according to the spectroscopic evidence, and the rigorous interpretation for the line shape changes. We show that the 2D-ELDOR spectra differ markedly with variation in the composition. The extensive line shape changes in the 2D-plus-mixing-time representation provide useful information to define and characterize the membrane phases with respect to their dynamic molecular structures and to determine the phase boundaries. The homogeneous T2's are extracted from the pure absorption spectra and are used to further distinguish the membrane phases. These results show 2D-ELDOR to be naturally suitable for probing and reporting the dynamic structures of microdomains in model membrane systems and, moreover, providing a very detailed picture of their molecular dynamic structure, especially with the aid of the "full Sc- method".

  18. Model-based segmentation and quantification of subcellular structures in 2D and 3D fluorescent microscopy images

    NASA Astrophysics Data System (ADS)

    Wörz, Stefan; Heinzer, Stephan; Weiss, Matthias; Rohr, Karl

    2008-03-01

    We introduce a model-based approach for segmenting and quantifying GFP-tagged subcellular structures of the Golgi apparatus in 2D and 3D microscopy images. The approach is based on 2D and 3D intensity models, which are directly fitted to an image within 2D circular or 3D spherical regions-of-interest (ROIs). We also propose automatic approaches for the detection of candidates, for the initialization of the model parameters, and for adapting the size of the ROI used for model fitting. Based on the fitting results, we determine statistical information about the spatial distribution and the total amount of intensity (fluorescence) of the subcellular structures. We demonstrate the applicability of our new approach based on 2D and 3D microscopy images.

  19. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    SciTech Connect

    Osiry, H.; Cano, A.; Reguera, L.; Lemus-Santana, A.A.; Reguera, E.

    2015-01-15

    The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

  20. Monolignol acylation and lignin structure in some nonwoody plants: a 2D NMR study.

    PubMed

    Martínez, Angel T; Rencoret, Jorge; Marques, Gisela; Gutiérrez, Ana; Ibarra, David; Jiménez-Barbero, Jesús; del Río, José C

    2008-11-01

    Lignins from three nonwoody angiosperms were analyzed by 2D NMR revealing important differences in their molecular structures. The Musa textilis milled-wood-lignin (MWL), with a syringyl-to-guaiacyl (S/G) ratio of 9, was strongly acylated (near 85% of side-chains) at the gamma-carbon by both acetates and p-coumarates, as estimated from (1)H-(13)C correlations in C(gamma)-esterified and C(gamma)-OH units. The p-coumarate H(3,5)-C(3,5) correlation signal was completely displaced by acetylation, and disappeared after alkali treatment, indicating that p-coumaric acid was esterified maintaining its free phenolic group. By contrast, the Cannabis sativa MWL (S/G approximately 0.8) was free of acylating groups, and the Agave sisalana MWL (S/G approximately 4) showed high acylation degree (near 80%) but exclusively with acetates. Extensive C(gamma)-acylation results in the absence (in M. textilis lignin) or low abundance (4% in A. sisalana lignin) of beta-beta' resinol linkages, which require free C(gamma)-OH to form the double tetrahydrofuran ring. However, minor signals revealed unusual acylated beta-beta' structures confirming that acylation is produced at the monolignol level, in agreement with chromatographic identification of gamma-acetylated sinapyl alcohol among the plant extractives. In contrast, resinol substructures involved 22% side-chains in the C.sativa MWL. The ratio between beta-beta' and beta-O-4' side-chains in these and other MWL varied from 0.32 in C.sativa MWL to 0.02 in M. textilis MWL, and was inversely correlated with the degree of acylation. The opposite was observed for the S/G ratio that was directly correlated with the acylation degree. Monolignol acylation is discussed as a mechanism potentially involved in the control of lignin structure.

  1. Prestack depth migration for complex 2D structure using phase-screen propagators

    SciTech Connect

    Roberts, P.; Huang, Lian-Jie; Burch, C.; Fehler, M.; Hildebrand, S.

    1997-11-01

    We present results for the phase-screen propagator method applied to prestack depth migration of the Marmousi synthetic data set. The data were migrated as individual common-shot records and the resulting partial images were superposed to obtain the final complete Image. Tests were performed to determine the minimum number of frequency components required to achieve the best quality image and this in turn provided estimates of the minimum computing time. Running on a single processor SUN SPARC Ultra I, high quality images were obtained in as little as 8.7 CPU hours and adequate images were obtained in as little as 4.4 CPU hours. Different methods were tested for choosing the reference velocity used for the background phase-shift operation and for defining the slowness perturbation screens. Although the depths of some of the steeply dipping, high-contrast features were shifted slightly the overall image quality was fairly insensitive to the choice of the reference velocity. Our jests show the phase-screen method to be a reliable and fast algorithm for imaging complex geologic structures, at least for complex 2D synthetic data where the velocity model is known.

  2. The structure of salt bridges between Arg(+) and Glu(-) in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries.

    PubMed

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-07

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu(-)) and arginine (Arg(+)) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu(-) and Arg(+), which provide a sensitive structural probe of Glu(-)⋯Arg(+) salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

  3. The structure of salt bridges between Arg+ and Glu- in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries

    NASA Astrophysics Data System (ADS)

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R.; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-01

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu-) and arginine (Arg+) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu- and Arg+, which provide a sensitive structural probe of Glu-⋯Arg+ salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

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

    PubMed

    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.

  5. Broadband multiple responses of surface modes in quasicrystalline plasmonic structure

    PubMed Central

    Yuan, Haiming; Jiang, Xiangqian; Huang, Feng; Sun, Xiudong

    2016-01-01

    We numerically study the multiple excitation of surface modes in 2D photonic quasicrystal/metal/substrate structure. An improved rigorous coupled wave analysis method that can handle the quasicrystalline structure is presented. The quasicrystalline lattice, which refers to Penrose tiling in this paper, is generated by the cut-and-project method. The normal incidence spectrum presents a broadband multiple responses property. We find that the phase matching condition determines the excitation frequency for a given incident angle, while the depth of the reflection valley depends on the incident polarization. The modes will split into several sub-modes at oblique incidence, which give rise to the appearance of more responses on the spectrum. PMID:27492782

  6. The Structure and Stability of Selected, 2-D Self-Gravitating Systems

    NASA Astrophysics Data System (ADS)

    Andalib, Saied W.

    1998-12-01

    Models of radially and vertically extended self-gravitating disks orbiting around a central point mass are relevant to the dynamics of astrophysical systems and are thought to be common in many galaxies. The gravity driven instabilities in these accretion disks are now believed to be a possible mechanism for star formation via disk fragmentation (Shu, Adams, & Lizano 1987, Adams, Rudin & Shu 1989; Christodoulou 1995). We quantify these regions of instability using a simple toroidal model of an accretion disk. We choose the two-dimensional axisymmetric, incompressible slender disks to examine and map out these principal modes of gravity driven instabilities. Through stability analyses and numerical simulations we have found that only the gravity driven 'intermediate' modes (see Goodman and Narayan 1988) are important in all self-gravitating accretion disks with small or moderate axis ratios. The P-mode instability found by Papalaizou and Pringle (1983) is unlikely to play a role in the dynamics of realistic disk systems. Next, we extend the existing numerical methods for constructing equilibrium structures to include nonaxisymmetric systems. We have developed a new computational technique to obtain two-dimensional, nonaxisymmetric, compressible systems with nontrivial internal motions. We have constructed two types of two-dimensional configurations: infinite cylinders and infinitesimally thin disks. The infinite cylinders have been primarily restricted to elliptic-like boundaries but the disks have exhibited much more flexibility in their geometries. At smaller axis ratios, they become dumbbells or loosely coupled binaries. The topology and dynamics of the flow is governed by the presence of vortices and stagnation points. In our simulation it is shown that there are equilibrium configurations that can only exist in the presence of internal differential motions and not in uniformly rotating models. This indicates that in general, the equilibrium structures of these

  7. Measured count-rate performance of the Discovery STE PET/CT scanner in 2D, 3D and partial collimation acquisition modes.

    PubMed

    Macdonald, L R; Schmitz, R E; Alessio, A M; Wollenweber, S D; Stearns, C W; Ganin, A; Harrison, R L; Lewellen, T K; Kinahan, P E

    2008-07-21

    We measured count rates and scatter fraction on the Discovery STE PET/CT scanner in conventional 2D and 3D acquisition modes, and in a partial collimation mode between 2D and 3D. As part of the evaluation of using partial collimation, we estimated global count rates using a scanner model that combined computer simulations with an empirical live-time function. Our measurements followed the NEMA NU2 count rate and scatter-fraction protocol to obtain true, scattered and random coincidence events, from which noise equivalent count (NEC) rates were calculated. The effect of patient size was considered by using 27 cm and 35 cm diameter phantoms, in addition to the standard 20 cm diameter cylindrical count-rate phantom. Using the scanner model, we evaluated two partial collimation cases: removing half of the septa (2.5D) and removing two-thirds of the septa (2.7D). Based on predictions of the model, a 2.7D collimator was constructed. Count rates and scatter fractions were then measured in 2D, 2.7D and 3D. The scanner model predicted relative NEC variation with activity, as confirmed by measurements. The measured 2.7D NEC was equal or greater than 3D NEC for all activity levels in the 27 cm and 35 cm phantoms. In the 20 cm phantom, 3D NEC was somewhat higher ( approximately 15%) than 2.7D NEC at 100 MBq. For all higher activity concentrations, 2.7D NEC was greater and peaked 26% above the 3D peak NEC. The peak NEC in 2.7D mode occurred at approximately 425 MBq, and was 26-50% greater than the peak 3D NEC, depending on object size. NEC in 2D was considerably lower, except at relatively high activity concentrations. Partial collimation shows promise for improved noise equivalent count rates in clinical imaging without altering other detector parameters.

  8. The Role of the Impedivity in the Magnetotelluric Response of 1D and 2D Structures

    NASA Astrophysics Data System (ADS)

    Esposito, Roberta; Giulia Di Giuseppe, Maria; Troiano, Antonio; Patella, Domenico; Mariano Castelo Branco, Raimundo

    2014-05-01

    ambiguous. Successively, a 2D case is considered, consisting in a magma chamber at a depth of 1 km, buried into a soil. The synthetic responses were performed considering both the non-dispersive and the dispersive case and the differences of the modelled MT curves are compared. As for the 1D case, the dispersion alters the resistivity values, particularly at the boundary of the buried body, leading to an ambiguous interpretation. MT data alone are not sufficient to distinguish polarization effects or can induce to see dispersion where is not present. An approach to solve this problem consists of the combined interpretation of DC geoelectrical and MT data collected at the same site. Review of real cases is also shown.

  9. A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations

    SciTech Connect

    Lin, Lin; Yang, Chao; Lu, Jiangfeng; Ying, Lexing; E, Weinan

    2009-09-25

    We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that our implementation exhibits an excellent weak scaling on a large-scale high performance distributed parallel machine. When compared with standard approach for evaluating the diagonal a Fermi-Dirac function of a Kohn-Sham Hamiltonian associated a 2D electron quantum dot, the new pole-expansion technique that uses our algorithm to compute the diagonal of $(H-z_i I)^-1$ for a small number of poles $z_i$ is much faster, especially when the quantum dot contains many electrons.

  10. The conflicting role of buckled structure in phonon transport of 2D group-IV and group-V materials.

    PubMed

    Peng, Bo; Zhang, Dequan; Zhang, Hao; Shao, Hezhu; Ni, Gang; Zhu, Yongyuan; Zhu, Heyuan

    2017-03-20

    Controlling heat transport through material design is one important step toward thermal management in 2D materials. To control heat transport, a comprehensive understanding of how structure influences heat transport is required. It has been argued that a buckled structure is able to suppress heat transport by increasing the flexural phonon scattering. Using a first principles approach, we calculate the lattice thermal conductivity of 2D mono-elemental materials with a buckled structure. Somewhat counterintuitively, we find that although 2D group-V materials have a larger mass and higher buckling height than their group-IV counterparts, the calculated κ of blue phosphorene (106.6 W mK(-1)) is nearly four times higher than that of silicene (28.3 W mK(-1)), while arsenene (37.8 W mK(-1)) is more than fifteen times higher than germanene (2.4 W mK(-1)). We report for the first time that a buckled structure has three conflicting effects: (i) increasing the Debye temperature by increasing the overlap of the pz orbitals, (ii) suppressing the acoustic-optical scattering by forming an acoustic-optical gap, and (iii) increasing the flexural phonon scattering. The former two, corresponding to the harmonic phonon part, tend to enhance κ, while the last one, corresponding to the anharmonic part, suppresses it. This relationship between the buckled structure and phonon behaviour provides insight into how to control heat transport in 2D materials.

  11. 2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function.

    PubMed

    González-Díaz, Humberto; Agüero-Chapin, Guillermín; Varona, Javier; Molina, Reinaldo; Delogu, Giovanna; Santana, Lourdes; Uriarte, Eugenio; Podda, Gianni

    2007-04-30

    Methods for prediction of proteins, DNA, or RNA function and mapping it onto sequence often rely on bioinformatics alignment approach instead of chemical structure. Consequently, it is interesting to develop computational chemistry approaches based on molecular descriptors. In this sense, many researchers used sequence-coupling numbers and our group extended them to 2D proteins representations. However, no coupling numbers have been reported for 2D-RNA topology graphs, which are highly branched and contain useful information. Here, we use a computational chemistry scheme: (a) transforming sequences into RNA secondary structures, (b) defining and calculating new 2D-RNA-coupling numbers, (c) seek a structure-function model, and (d) map biological function onto the folded RNA. We studied as example 1-aminocyclopropane-1-carboxylic acid (ACC) oxidases known as ACO, which control fruit ripening having importance for biotechnology industry. First, we calculated tau(k)(2D-RNA) values to a set of 90-folded RNAs, including 28 transcripts of ACO and control sequences. Afterwards, we compared the classification performance of 10 different classifiers implemented in the software WEKA. In particular, the logistic equation ACO = 23.8 . tau(1)(2D-RNA) + 41.4 predicts ACOs with 98.9%, 98.0%, and 97.8% of accuracy in training, leave-one-out and 10-fold cross-validation, respectively. Afterwards, with this equation we predict ACO function to a sequence isolated in this work from Coffea arabica (GenBank accession DQ218452). The tau(1)(2D-RNA) also favorably compare with other descriptors. This equation allows us to map the codification of ACO activity on different mRNA topology features. The present computational-chemistry approach is general and could be extended to connect RNA secondary structure topology to other functions.

  12. New insights into the generalized Rutherford equation for nonlinear neoclassical tearing mode growth from 2D reduced MHD simulations

    NASA Astrophysics Data System (ADS)

    Westerhof, E.; de Blank, H. J.; Pratt, J.

    2016-03-01

    Two dimensional reduced MHD simulations of neoclassical tearing mode growth and suppression by ECCD are performed. The perturbation of the bootstrap current density and the EC drive current density perturbation are assumed to be functions of the perturbed flux surfaces. In the case of ECCD, this implies that the applied power is flux surface averaged to obtain the EC driven current density distribution. The results are consistent with predictions from the generalized Rutherford equation using common expressions for Δ \\text{bs}\\prime and Δ \\text{ECCD}\\prime . These expressions are commonly perceived to describe only the effect on the tearing mode growth of the helical component of the respective current perturbation acting through the modification of Ohm’s law. Our results show that they describe in addition the effect of the poloidally averaged current density perturbation which acts through modification of the tearing mode stability index. Except for modulated ECCD, the largest contribution to the mode growth comes from this poloidally averaged current density perturbation.

  13. Chiral Second-Sound Collective Modes at the Edge of 2D Systems with a Nontrivial Berry Curvature

    NASA Astrophysics Data System (ADS)

    Principi, Alessandro; Katsnelson, Mikhail I.; Levchenko, Alex

    2017-01-01

    We study the thermal transport in two-dimensional systems with a nontrivial Berry curvature texture. The physical realizations are many; for the sake of definiteness, we consider undoped graphene gapped by the presence of an aligned hexagonal-boron-nitride substrate. The same phenomenology applies, i.e., to surface states of 3D topological insulators in the presence of a uniform magnetization. We find that chiral valley-polarized second-sound collective modes propagate along the edges of the system. The localization length of the edge modes has a topological origin stemming from the anomalous velocity term in the quasiparticle current. At low temperature, the single-particle contribution to the transverse thermal conductance is exponentially suppressed, and only second-sound modes carry heat along the boundary. A sharp change in the behavior of the thermal Hall conductance, extracted from nonlocal measurements of the temperature along the edge, marks the onset of ballistic heat transport due to second-sound edge modes.

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

    PubMed Central

    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

    2015-01-01

    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. PMID:26404279

  15. Electronic structure of disordered CuPd alloys by positron-annihilation 2D-ACAR

    SciTech Connect

    Smedskjaer, L.C.; Benedek, R.; Siegel, R.W.; Legnini, D.G.; Stahulak, M.D.; Bansil, A.

    1988-01-01

    We report 2D-ACAR experiments and KKR CPA calculations on alpha-phase single-crystal Cu/sub 1-x/Pd/sub x/ in the range x less than or equal to 0.25. The flattening of the Fermi surface near (110) with increasing x predicted by theory is confirmed by our experimental results. 16 refs., 2 figs.

  16. Spatiotemporal mode structure of nonlinearly coupled drift wave modes

    SciTech Connect

    Brandt, Christian; Grulke, Olaf; Klinger, Thomas; Negrete, Jose Jr.; Bousselin, Guillaume; Brochard, Frederic; Bonhomme, Gerard; Oldenbuerger, Stella

    2011-11-15

    This paper presents full cross-section measurements of drift waves in the linear magnetized plasma of the Mirabelle device. Drift wave modes are studied in regimes of weakly developed turbulence. The drift wave modes develop azimuthal space-time structures of plasma density, plasma potential, and visible light fluctuations. A fast camera diagnostic is used to record visible light fluctuations of the plasma column in an azimuthal cross section with a temporal resolution of 10 {mu}s corresponding approximately to 10% of the typical drift wave period. Mode coupling and drift wave dispersion are studied by spatiotemporal Fourier decomposition of the camera frames. The observed coupling between modes is compared to calculations of nonlinearly coupled oscillators described by the Kuramoto model.

  17. Development of Transverse Modes Damped DLA Structure

    SciTech Connect

    Jing, C.; Kanareykin, A.; Schoessow, P.; Gai, W.; Konecny, R.; Power, J. G.; Conde, M.

    2009-01-22

    As the dimensions of accelerating structures become smaller and beam intensities higher, the transverse wakefields driven by the beam become quite large with even a slight misalignment of the beam from the geometric axis. These deflection modes can cause inter-bunch beam breakup and intra-bunch head-tail instabilities along the beam path, and thus BBU control becomes a critical issue. All new metal based accelerating structures, like the accelerating structures developed at SLAC or power extractors at CLIC, have designs in which the transverse modes are heavily damped. Similarly, minimizing the transverse wakefield modes (here the HEMmn hybrid modes in Dielectric-Loaded Accelerating (DLA) structures) is also very critical for developing dielectric based high energy accelerators. In this paper, we present the design of a 7.8 GHz transverse mode damped DLA structure currently under construction, along with plans for the experimental program.

  18. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    PubMed Central

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-01-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices. PMID:28281666

  19. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    NASA Astrophysics Data System (ADS)

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-03-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices.

  20. Numerical investigation of the flat band Bloch modes in a 2D photonic crystal with Dirac cones.

    PubMed

    Zhang, Peng; Fietz, Chris; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas M

    2015-04-20

    A numerical method combining complex-k band calculations and absorbing boundary conditions for Bloch waves is presented. We use this method to study photonic crystals with Dirac cones. We demonstrate that the photonic crystal behaves as a zero-index medium when excited at normal incidence, but that the zero-index behavior is lost at oblique incidence due to excitation of modes on the flat band. We also investigate the formation of monomodal and multimodal cavity resonances inside the photonic crystals, and the physical origins of their different line-shape features.

  1. Fabrication of high efficiency compact 90° bend waveguide by using a dielectric 2D-PC structure

    NASA Astrophysics Data System (ADS)

    Stomeo, Tiziana; Bergamo, Roberto; Martiradonna, Luigi; Cingolani, Roberto; De Vittorio, Massimo; D'Orazio, Antonella; Marrocco, Valeria

    2005-07-01

    In this paper we propose the design and the fabrication of 90° bend ridge waveguide (WG) assisted by a two-dimensional photonic crystal (2D-PC). 2D-PCs act as efficient mirrors along the boundaries of the bend ridge thus reducing the in-plane losses. The ridge waveguide consists of a 3 μm x 0.75 μm titanium dioxide core on a silica bottom cladding. The 2D-PC structure surrounding the bend waveguide is composed of a triangular array of circular dielectric pillars having a height of 0.75 μm. The titanium dioxide waveguiding core layer is covered with PMMA in order to create a quasi-symmetric structure. A photonic band gap centered around 1.3 μm is obtained by a PC radius r = 0.33a and lattice period a = 0.450 μm. The design of the whole structure is subsequently optimized by using a 3D Finite Difference Time Domain based computer code. The ridge waveguide assisted by a 2D-PC has been fabricated by using electron beam lithography and reactive ion etching. For the pattern transfer we have used about 50 nm thin layer Cr metal etch mask obtained by means of a lift-off technique based on the use of bi-layer resist (PMMA/MMA). The presence of the 2D-PC around the bend waveguide leads to a sharp increase of the transmission efficiency around 1.3 μm for curvature radius of 2.5 μm. The bend transmission results to be in the range between 0.76 and 0.85 when the thickness of the ridge WG and of the 2D-PC pillars is between 0.75 and 1.3 μm. This value is more than twice with respect to the bend waveguide without 2D-PC.

  2. Postretinal Structure and Function in Severe Congenital Photoreceptor Blindness Caused by Mutations in the GUCY2D Gene

    PubMed Central

    Aguirre, Geoffrey K.; Butt, Omar H.; Datta, Ritobrato; Roman, Alejandro J.; Sumaroka, Alexander; Schwartz, Sharon B.; Cideciyan, Artur V.; Jacobson, Samuel G.

    2017-01-01

    Purpose To examine how severe congenital blindness resulting from mutations of the GUCY2D gene alters brain structure and function, and to relate these findings to the notable preservation of retinal architecture in this form of Leber congenital amaurosis (LCA). Methods Six GUCY2D-LCA patients (ages 20–46) were studied with optical coherence tomography of the retina and multimodal magnetic resonance imaging (MRI) of the brain. Measurements from this group were compared to those obtained from populations of normally sighted controls and people with congenital blindness of a variety of causes. Results Patients with GUCY2D-LCA had preservation of the photoreceptors, ganglion cells, and nerve fiber layer. Despite this, visual function in these patients ranged from 20/160 acuity to no light perception, and functional MRI responses to light stimulation were attenuated and restricted. This severe visual impairment was reflected in substantial thickening of the gray matter layer of area V1, accompanied by an alteration of resting-state correlations within the occipital lobe, similar to a comparison group of congenitally blind people with structural damage to the retina. In contrast to the comparison blind population, however, the GUCY2D-LCA group had preservation of the size of the optic chiasm, and the fractional anisotropy of the optic radiations as measured with diffusion tensor imaging was also normal. Conclusions These results identify dissociable effects of blindness upon the visual pathway. Further, the relatively intact postgeniculate white matter pathway in GUCY2D-LCA is encouraging for the prospect of recovery of visual function with gene augmentation therapy.

  3. Study on molecular structure and hydration mechanism of Domyoji-ko starch by IR and NIR hetero 2D analysis

    NASA Astrophysics Data System (ADS)

    Katayama, Norihisa; Kondo, Miyuki; Miyazawa, Mitsuhiro

    2010-06-01

    The hydration structure of starch molecule in Domyoji-ko, which is made from gluey rice, was investigated by hetero 2D correlation analysis of IR and NIR spectroscopy. The feature near 1020 cm -1 in the IR spectra of Domyoji-ko is changed by rehydration process, indicating that the molecular structure of amylopectin in the starch has been varied by the hydration without heating. The intensity of a band at 4770 cm -1 in NIR spectra is decreasing with the increasing of either the heating time with water or rehydration time without heating. These results suggest that the hydration of Domyoji-ko has proceeded in similar mechanisms on these processes. The generalized hetero 2D IR-NIR correlation analysis for rehydration of Domyoji-ko has supported the assignments for NIR bands concerning the gelatinization of starch.

  4. 2-D modelling of the anticlinal structures and structural development of the eastern fold belt of the Bengal Basin, Bangladesh

    NASA Astrophysics Data System (ADS)

    Sikder, Arif Mohiuddin; Alam, M. Mustafa

    2003-02-01

    Structural architecture of the Bengal Basin has been strongly controlled by the collision pattern of the Indian plate with the Burma and Tibetan plates. The eastern fold belt (EFB) of the basin, comprising a series of north-south-trending curvilinear anticlines and synclines, represents a fold-and-thrust belt that constitutes the westward continuation of Arakan-Chin fold system of the Indo-Burman Ranges. The present study is mainly concerned with the 2-D modelling of the anticlinal structures in order to develop an understanding about the process-response relationships between the structural style and tectonic evolution of the eastern fold belt. The dominant fold-generating mechanism is believed to be the east-west-directed compressional force arising from oblique subduction of the Indian plate beneath the Burma plate that resulted in the growth of fault-propagation folds above a detachment or decollement at depth, giving rise to the Neogene accretionary prism complex development. A prominent feature of the region is the major east-dipping thrusts separating successive accretionary wedges. In seismic sections, evidence for several phases of compressional deformation suggests that multiphase stress conditions were responsible for the structural expression of the fold belt. Deep seismic sections reveal that the base of folding is characterized by a low-interval velocity horizon that represents a detachment separating the upper folded zone from the lower, seismically coherent, nearly unfolded zone. This detachment coincides with the undercompacted pressured shale unit, which is thought to have played an important role in the structural development of the eastern fold belt. Clay mineralogical analysis reveals the presence of a low-density shale horizon within the dense and thick shale sequence that is thought to be an undercompacted pressured shale during the geological past, and was responsible for the initiation of decollement and incipient diapirism involving thin

  5. Micro PIV measurements of turbulent flow over 2D structured roughness

    NASA Astrophysics Data System (ADS)

    Hartenberger, Joel; Perlin, Marc

    2015-11-01

    We investigate the turbulent boundary layer over surfaces with 2D spanwise square and triangular protrusions having nominal heights of 100 - 300 microns for Reynolds numbers ranging from Reτ ~ 1500 through Reτ ~ 4500 using a high speed, high magnification imaging system. Micro PIV analysis gives finely resolved velocity fields of the flow (on the order of 10 microns between vectors) enabling a detailed look at the inner region as well as the flow in the immediate vicinity of the roughness elements. Additionally, planar PIV with lower resolution is performed to capture the remainder of the boundary layer to the freestream flow. Varying the streamwise distance between individual roughness elements from one to ten times the nominal heights allows investigation of k-type and d-type roughness in both the transitionally rough and fully rough regimes. Preliminary results show a shift in the mean velocity profile similar to the results of previous studies. Turbulent statistics will be presented also. The authors would like to acknowledge the support of NAVSEA which funded this project through the Naval Engineering Education Center (NEEC).

  6. Residual resistance of 2D and 3D structures and Joule heat release.

    PubMed

    Gurevich, V L; Kozub, V I

    2011-06-22

    We consider a residual resistance and Joule heat release in 2D nanostructures as well as in ordinary 3D conductors. We assume that elastic scattering of conduction electrons by lattice defects is predominant. Within a rather intricate situation in such systems we discuss in detail two cases. (1) The elastic scattering alone (i.e. without regard of inelastic mechanisms of scattering) leads to a transition of the mechanical energy (stored by the electrons under the action of an electric field) into heat in a traditional way. This process can be described by the Boltzmann equation where it is possible to do the configuration averaging over defect positions in the electron-impurity collision term. The corresponding conditions are usually met in metals. (2) The elastic scattering can be considered with the help of the standard electron-impurity collision integral only in combination with some additional averaging procedure (possibly including inelastic scattering or some mechanisms of electron wavefunction phase destruction). This situation is typical for degenerate semiconductors with a high concentration of dopants and conduction electrons. Quite often, heat release can be observed via transfer of heat to the lattice, i.e. via inelastic processes of electron-phonon collisions and can take place at distances much larger than the size of the device. However, a direct heating of the electron system can be registered too by, for instance, local measurements of the current noise or direct measurement of an electron distribution function.

  7. 2-D Versus 3-D Magnetotelluric Data Interpretation

    NASA Astrophysics Data System (ADS)

    Ledo, Juanjo

    2005-09-01

    In recent years, the number of publications dealing with the mathematical and physical 3-D aspects of the magnetotelluric method has increased drastically. However, field experiments on a grid are often impractical and surveys are frequently restricted to single or widely separated profiles. So, in many cases we find ourselves with the following question: is the applicability of the 2-D hypothesis valid to extract geoelectric and geological information from real 3-D environments? The aim of this paper is to explore a few instructive but general situations to understand the basics of a 2-D interpretation of 3-D magnetotelluric data and to determine which data subset (TE-mode or TM-mode) is best for obtaining the electrical conductivity distribution of the subsurface using 2-D techniques. A review of the mathematical and physical fundamentals of the electromagnetic fields generated by a simple 3-D structure allows us to prioritise the choice of modes in a 2-D interpretation of responses influenced by 3-D structures. This analysis is corroborated by numerical results from synthetic models and by real data acquired by other authors. One important result of this analysis is that the mode most unaffected by 3-D effects depends on the position of the 3-D structure with respect to the regional 2-D strike direction. When the 3-D body is normal to the regional strike, the TE-mode is affected mainly by galvanic effects, while the TM-mode is affected by galvanic and inductive effects. In this case, a 2-D interpretation of the TM-mode is prone to error. When the 3-D body is parallel to the regional 2-D strike the TE-mode is affected by galvanic and inductive effects and the TM-mode is affected mainly by galvanic effects, making it more suitable for 2-D interpretation. In general, a wise 2-D interpretation of 3-D magnetotelluric data can be a guide to a reasonable geological interpretation.

  8. Improved EDGE2D-EIRENE simulations of JET ITER-like wall L-mode discharges utilising poloidal VUV/visible spectral emission profiles

    NASA Astrophysics Data System (ADS)

    Lawson, K. D.; Groth, M.; Belo, P.; Brezinsek, S.; Corrigan, G.; Czarnecka, A.; Delabie, E.; Drewelow, P.; Harting, D.; Książek, I.; Maggi, C. F.; Marchetto, C.; Meigs, A. G.; Menmuir, S.; Stamp, M. F.; Wiesen, S.

    2015-08-01

    A discrepancy in the divertor radiated powers between EDGE2D-EIRENE simulations, both with and without drifts, and JET-ILW experiments employing a set of NBI-heated L-mode discharges with step-wise density variation is investigated. Results from a VUV/visible poloidally scanning spectrometer are used together with bolometric measurements to determine the radiated power and its composition. The analysis shows the importance of D line radiation in contributing to the divertor radiated power, while contributions from D radiative recombination are smaller than expected. Simulations with W divertor plates underestimate the Be content in the divertor, since no allowance is made for Be previously deposited on the plates being re-eroded. An improved version of EDGE2D-EIRENE is used to test the importance of the deposited layer in which the sputtering yield from supposed pure Be divertor plates is reduced to match the spectroscopic signals, while keeping the sputtering yield for the Be main chamber walls unchanged.

  9. A Comparison of the Performance of 2D Square and Rectangular Dielectric Vein Structures

    DTIC Science & Technology

    2012-09-27

    dielectric vein structure to approximate these photonic crystals. In this case, the numerical model is improved. A rectangular vein structure is...square dielectric vein structure to approximate these photonic crystals. In this case, the numerical model is improved. A rectangular vein...34 REFERENCES 1. Kawano, K. and Kitoh, T., Introduction to Optical Waveguide Analysis : Solving Maxwell’s Equations and the Schrödinger

  10. An algorithm for computing the 2D structure of fast rotating stars

    SciTech Connect

    Rieutord, Michel; Espinosa Lara, Francisco; Putigny, Bertrand

    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.

  11. Analysis of simple 2-D and 3-D metal structures subjected to fragment impact

    NASA Technical Reports Server (NTRS)

    Witmer, E. A.; Stagliano, T. R.; Spilker, R. L.; Rodal, J. J. A.

    1977-01-01

    Theoretical methods were developed for predicting the large-deflection elastic-plastic transient structural responses of metal containment or deflector (C/D) structures to cope with rotor burst fragment impact attack. For two-dimensional C/D structures both, finite element and finite difference analysis methods were employed to analyze structural response produced by either prescribed transient loads or fragment impact. For the latter category, two time-wise step-by-step analysis procedures were devised to predict the structural responses resulting from a succession of fragment impacts: the collision force method (CFM) which utilizes an approximate prediction of the force applied to the attacked structure during fragment impact, and the collision imparted velocity method (CIVM) in which the impact-induced velocity increment acquired by a region of the impacted structure near the impact point is computed. The merits and limitations of these approaches are discussed. For the analysis of 3-d responses of C/D structures, only the CIVM approach was investigated.

  12. Exploring group 14 structures: 1D to 2D to 3D.

    PubMed

    Wen, Xiao-Dong; Cahill, Thomas J; Hoffmann, Roald

    2010-06-11

    Various one-, two- and three-dimensional Group 14 (C, Si, Ge, Sn, and Pb) element structures at P = 1 atm are studied in this work. As expected, coordination number (CN)--not an unambiguous concept for extended structures--plays an important part in the stability of structures. Carbon not only favors four-coordination, but also is quite happy with pi-bonding, allowing three- and even two-coordination to compete. Highly coordinated (CN > 4) discrete carbon molecules are rare; that "saturation of valence" is reflected in the instability of C extended structures with CN > 4. Si and Ge are quite similar to each other in their preferences. They are less biased in their coordination than C, allowing (as their molecular structures do) CN = 5 and 6, but tending towards four-coordination. Sn and Pb 3D structures are very flexible in their bonding, so that in these elements four- to twelve-coordinate structures are close in energy. This lack of discrimination among ordered structures also points to an approach to the liquid state, consistent with the low melting point of Sn and Pb. The Group 14 liquid structures we simulate in molecular dynamics calculations show the expected, effective, first coordination number increase from 5.1 for Si to 10.4 for Pb. A special point of interest emerging from our study is the instability of potential multilayer graphene structures down Group 14. Only for C will these be stable; for all the other Group 14 elements pristine, unprotected, bi- and multilayer graphenes should collapse, forming "vertical" bonds as short as the in-plane ones.

  13. Anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework

    SciTech Connect

    Lee, Li-Wei; Luo, Tzuoo-Tsair; Wang, Chih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh

    2016-07-15

    A Cd(II)–organic framework {[Cd_2(tpim)_4(SO_4)(H_2O)_2]·(SO_4)·21H_2O}{sub n} (1) was synthesized by reacting CdSO{sub 4}·8/3H{sub 2}O and 2,4,5-tri(4-pyridyl)imidazole (tpim) under hydrothermal conditions. A structural analysis showed that compound 1 adopts a layered structure in which the [Cd(tpim){sub 2}]{sub n} chains are linked by sulfate anions. These 2D layers are further packed into a 3D supramolecular framework via π–π interactions. The structure contains two types of SO{sub 4}{sup 2−} anions, i.e., bridging SO{sub 4}{sup 2−} and free SO{sub 4}{sup 2−} anions, the latter of which are included in the large channels of the framework. Compound 1 exhibits interesting anion exchange behavior. In the presence of SCN{sup −} anions, both the bridging and free SO{sub 4}{sup 2−} anions in 1 were completely exchanged by SCN{sup −} ligands to form a 1D species [Cd(tpim){sub 2}(SCN){sub 2}] (1A), in which the SCN{sup –} moieties function as a monodentate ligand. On the other hand, when compound 1 was ion exchanged with N{sub 3}{sup −} anions in aqueous solution, the bridging SO{sub 4}{sup 2−} moieties remained intact, and only the free guest SO{sub 4}{sup 2−} were replaced by N{sub 3}{sup −} anions. The gas adsorption behavior of the activated compound 1 was also investigated. - Highlights: • An interesting anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework is reported. • The sulfate-incorporated 2D layer compound exhibits very different anion exchange behavior with respect to SCN{sup −} and N{sub 3}{sup −}. • Both the bridging and free SO{sub 4}{sup 2−} anions in the 2D structure were completely exchanged by SCN{sup −} ligands, resulting in the formation of a 1D species. However, in the case of N{sub 3}{sup −} anions, only the free guest SO{sub 4}{sup 2−} in the structure was replaced.

  14. 2-D Joint Structural Inversion of Cross-hole Electrical Resistance and Ground Penetrating Radar Data

    NASA Astrophysics Data System (ADS)

    Bouchedda, Abderrezak; Chouteau, Michel; Giroux, Bernard

    2010-05-01

    We present a joint structural inversion algorithm for cross-hole electrical resistance tomography (ERT) and cross-hole radar travel time tomography (RTT). The algorithm proceeds by combining the exchange of structural information and a regularization method that consists of imposing an L1-norm penalty in the wavelet domain. The minimization of the L1-norm penalty is carried out using an iterative soft-thresholding algorithm. The thresholds are estimated by maximizing a structural similarity criterion, which is a function of the two (ERT and RTT) inverted models. To solve this optimization subproblem, we used the simultaneous perturbation stochastic approach. Besides, the regularization in the wavelet basis allows for the possibility of sharp discontinuities superimposed on a smoothly varying background. Hence the structural information is extracted from each model using a Canny edge detector. The detected edge is used to construct a weighting matrix that is applied to alter the smoothness matrix constraint. To validate our methodology and its implementation, responses from two models were modelled. Experiments demonstrate that the proposed approach improves the spatial resolution and quantitative estimation of physical parameters. In addition, in comparison with joint structural inversion with only the exchange of structural information, our method avoids undesirable bias introduced by the exchange of structural information when the boundaries are near each other. Finally, the proposed algorithm will be applied to real data in the near future to evaluate its performance.

  15. Modeling and characterization of 2-D and 3-D textile structural composites

    SciTech Connect

    Yang, J.M.

    1986-01-01

    This dissertation studies the analytical modeling and experimental characterization of various two-dimensional and three-dimensional textile structure composites. In the analytical approach, various theoretical models were established to predict the stiffness, strength, nonlinear deformation, and failure behavior of triaxial woven-fabric composites, 3-D braided composites, and multilayer multidirectional warp knit fabric composites in polymer and metal matrices. The structure performance maps of various textile structural composites were also established, based upon these analytical methods. In the experimental approach, extensive mechanical testing and microstructural characterization were performed to investigate the thermomechanical properties and failure behavior of 3-D braided FP/Al composites. Results of this research will serve as the basis for assessing the potential of textile composites for structural applications.

  16. 2D and 3D reconstruction and geomechanical characterization of kilometre-scale complex folded structures

    NASA Astrophysics Data System (ADS)

    Zanchi, Andrea; Agliardi, Federico; Crosta, Giovanni B.; Villa, Alberto; Bistacchi, Andrea; Iudica, Gaetano

    2015-04-01

    The geometrical, structural and geomechanical characterization of large-scale folded structures in sedimentary rocks is an important issue for different geological and geo-hazard applications (e.g. hydrocarbon and geothermal reservoir exploitation, natural rock slope stability, mining, and tunnelling). Fold geometry controls topography and the spatial distribution of rock types with different strength and permeability. Fold-related fracture systems condition the fracture intensity, degree of freedom, and overall strength of rock masses. Nevertheless, scale issues and limited accessibility or partial exposure of structures often hamper a complete characterization of these complex structures. During the last years, advances in remote survey techniques as terrestrial Lidar (TLS) allowed significant improvements in the geometrical and geological characterization of large or inaccessible outcrops. However, sound methods relating structures to rock mass geomechanical properties are yet to be developed. Here we present results obtained by integrating remote survey and field assessment techniques to characterize a folded sedimentary succession exposed in unreachable vertical rock walls. The study area is located in the frontal part of the Southern Alps near Bergamo, Italy. We analysed large-scale detachment folds developed in the Upper Triassic sedimentary cover in the Zu Limestone. Folds are parallel and disharmonic, with regular wavelengths and amplitudes of about 200-250 m. We used a Riegl VZ-1000 long-range laser scanner to obtain points clouds with nominal spacings between 5 cm and 20 cm from 9 scan positions characterized by range between 350 m and 1300 m. We fixed shadowing and occlusion effects related to fold structure exposure by filling point clouds with data collected by terrestrial digital photogrammetry (TDP). In addition, we carried out field surveys of fold-related brittle structures and their geomechanical attributes at key locations. We classified cloud

  17. Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.

    PubMed

    Guo, Peng

    2011-02-28

    Three 2D Ag(I)-framework isomers were constructed from enantiopure camphor-10-sulfonic acids or racemic camphor-10-sulfonic acids, together with achiral 4-aminobenzoic acids. In complex 1, (+)-camphor-10-sulfonic acids bridge the single left-handed helices that are made up of Ag ions and 4-aminobenzoic acids, generating a homochiral 2D layer. In such a structure, the interweaving of triple left-handed homohelices was also found. It is worth noting that the helicity of complex 2 could be controlled by the handedness of the camphor-10-sulfonic acid. In complex 2, there are right-handed helical structures, including single right-handed and triple right-handed helical structures connected by (-)-camphor-10-sulfonic acids. For a comparative study, (±)-camphor-10-sulfonic acids were utilized to synthesize complex 3, in which equal numbers of right-handed or left-handed double-helical chains are created. All the complexes were characterized by single-crystal X-ray structure determination, powder X-ray diffraction, IR, TGA and element analysis. Circular dichroism spectra of complexes 1 and 2 were been studied to confirm the fact that enantiopure bridging ligands do not racemize.

  18. Learning the 3-D structure of objects from 2-D views depends on shape, not format

    PubMed Central

    Tian, Moqian; Yamins, Daniel; Grill-Spector, Kalanit

    2016-01-01

    Humans can learn to recognize new objects just from observing example views. However, it is unknown what structural information enables this learning. To address this question, we manipulated the amount of structural information given to subjects during unsupervised learning by varying the format of the trained views. We then tested how format affected participants' ability to discriminate similar objects across views that were rotated 90° apart. We found that, after training, participants' performance increased and generalized to new views in the same format. Surprisingly, the improvement was similar across line drawings, shape from shading, and shape from shading + stereo even though the latter two formats provide richer depth information compared to line drawings. In contrast, participants' improvement was significantly lower when training used silhouettes, suggesting that silhouettes do not have enough information to generate a robust 3-D structure. To test whether the learned object representations were format-specific or format-invariant, we examined if learning novel objects from example views transfers across formats. We found that learning objects from example line drawings transferred to shape from shading and vice versa. These results have important implications for theories of object recognition because they suggest that (a) learning the 3-D structure of objects does not require rich structural cues during training as long as shape information of internal and external features is provided and (b) learning generates shape-based object representations independent of the training format. PMID:27153196

  19. Synergistic Effects of Temperature, Oxidation and Multicracking Modes on Damage Evolution and Life Prediction of 2D Woven Ceramic-Matrix Composites under Tension-Tension Fatigue Loading

    NASA Astrophysics Data System (ADS)

    Longbiao, Li

    2016-11-01

    In this paper, the synergistic effects of temperature, oxidation and multicracking modes on damage evolution and life prediction in 2D woven ceramic-matrix composites (CMCs) have been investigated. The damage parameter of fatigue hysteresis dissipated energy and the interface shear stress were used to monitor the damage evolution inside of CMCs. Under cyclic fatigue loading, the fibers broken fraction was determined by combining the interface/fiber oxidation model, interface wear model and fibers statistical failure model at elevated temperature, based on the assumption that the fiber strength is subjected to two-parameter Weibull distribution and the load carried by broken and intact fibers satisfy the Global Load Sharing (GLS) criterion. When the broken fibers fraction approaches to the critical value, the composite fatigue fractures. The evolution of fatigue hysteresis dissipated energy, the interface shear stress and broken fibers fraction versus cycle number, and the fatigue life S-N curves of SiC/SiC at 1000, 1200 and 1300 °C in air and steam condition have been predicted. The synergistic effects of temperature, oxidation, fatigue peak stress, and multicracking modes on the evolution of interface shear stress and fatigue hysteresis dissipated energy versus cycle numbers curves have been analyzed.

  20. Fringe structures and tunable bandgap width of 2D boron nitride nanosheets.

    PubMed

    Feng, Peter; Sajjad, Muhammad; Li, Eric Yiming; Zhang, Hongxin; Chu, Jin; Aldalbahi, Ali; Morell, Gerardo

    2014-01-01

    We report studies of the surface fringe structures and tunable bandgap width of atomic-thin boron nitride nanosheets (BNNSs). BNNSs are synthesized by using digitally controlled pulse deposition techniques. The nanoscale morphologies of BNNSs are characterized by using scanning electron microscope (SEM), and transmission electron microscopy (TEM). In general, the BNNSs appear microscopically flat in the case of low temperature synthesis, whereas at high temperature conditions, it yields various curved structures. Experimental data reveal the evolutions of fringe structures. Functionalization of the BNNSs is completed with hydrogen plasma beam source in order to efficiently control bandgap width. The characterizations are based on Raman scattering spectroscopy, X-ray diffraction (XRD), and FTIR transmittance spectra. Red shifts of spectral lines are clearly visible after the functionalization, indicating the bandgap width of the BNNSs has been changed. However, simple treatments with hydrogen gas do not affect the bandgap width of the BNNSs.

  1. Multi-Mode Cavity Accelerator Structure

    SciTech Connect

    Jiang, Yong; Hirshfield, Jay Leonard

    2016-11-10

    This project aimed to develop a prototype for a novel accelerator structure comprising coupled cavities that are tuned to support modes with harmonically-related eigenfrequencies, with the goal of reaching an acceleration gradient >200 MeV/m and a breakdown rate <10-7/pulse/meter. Phase I involved computations, design, and preliminary engineering of a prototype multi-harmonic cavity accelerator structure; plus tests of a bimodal cavity. A computational procedure was used to design an optimized profile for a bimodal cavity with high shunt impedance and low surface fields to maximize the reduction in temperature rise ΔT. This cavity supports the TM010 mode and its 2nd harmonic TM011 mode. Its fundamental frequency is at 12 GHz, to benchmark against the empirical criteria proposed within the worldwide High Gradient collaboration for X-band copper structures; namely, a surface electric field Esurmax< 260 MV/m and pulsed surface heating ΔTmax< 56 °K. With optimized geometry, amplitude and relative phase of the two modes, reductions are found in surface pulsed heating, modified Poynting vector, and total RF power—as compared with operation at the same acceleration gradient using only the fundamental mode.

  2. Wave propagation in a 2D nonlinear structural acoustic waveguide using asymptotic expansions of wavenumbers

    NASA Astrophysics Data System (ADS)

    Vijay Prakash, S.; Sonti, Venkata R.

    2016-02-01

    Nonlinear acoustic wave propagation in an infinite rectangular waveguide is investigated. The upper boundary of this waveguide is a nonlinear elastic plate, whereas the lower boundary is rigid. The fluid is assumed to be inviscid with zero mean flow. The focus is restricted to non-planar modes having finite amplitudes. The approximate solution to the acoustic velocity potential of an amplitude modulated pulse is found using the method of multiple scales (MMS) involving both space and time. The calculations are presented up to the third order of the small parameter. It is found that at some frequencies the amplitude modulation is governed by the Nonlinear Schrödinger equation (NLSE). The first objective here is to study the nonlinear term in the NLSE. The sign of the nonlinear term in the NLSE plays a role in determining the stability of the amplitude modulation. Secondly, at other frequencies, the primary pulse interacts with its higher harmonics, as do two or more primary pulses with their resultant higher harmonics. This happens when the phase speeds of the waves match and the objective is to identify the frequencies of such interactions. For both the objectives, asymptotic coupled wavenumber expansions for the linear dispersion relation are required for an intermediate fluid loading. The novelty of this work lies in obtaining the asymptotic expansions and using them for predicting the sign change of the nonlinear term at various frequencies. It is found that when the coupled wavenumbers approach the uncoupled pressure-release wavenumbers, the amplitude modulation is stable. On the other hand, near the rigid-duct wavenumbers, the amplitude modulation is unstable. Also, as a further contribution, these wavenumber expansions are used to identify the frequencies of the higher harmonic interactions. And lastly, the solution for the amplitude modulation derived through the MMS is validated using these asymptotic expansions.

  3. Structural study of synthetic mica montmorillonite by means of 2D MAS NMR experiments

    NASA Astrophysics Data System (ADS)

    Alba, M. D.; Castro, M. A.; Chain, P.; Naranjo, M.; Perdigón, A. C.

    2005-07-01

    Syn-1, is a synthetic mica montmorillonite interstratified mineral that forms one of the standard clay samples in the Clay Minerals Society Source Clays Project. However, there are still controversies regarding some structural aspects such as the interlayer composition or the location of the extra-aluminium determined by chemical analysis. The main objective of this paper is to shed light on those structural aspects that affect the reactivity of the interstratified minerals. For this purpose, we have used 1 H 29 Si and 1 H 27Al HETCOR MAS NMR to show that it is likely that the interlayer space of the beidellite part is composed of ammonium ions whereas ammonium and aluminium ions are responsible for the charge balance in the mica type layer.

  4. Electronic and structural properties of 3D, 2D and 1D materials

    NASA Astrophysics Data System (ADS)

    Ribeiro, Filipe Joao

    In this work several applications of the ab initio pseudopotential density functional theory method are presented. With this method it is possible to calculate the electronic ground state properties of many systems like bulk solids, surfaces, nanotubes, and nanowires, and draw conclusions about the systems structural and electronic properties. With modifications of this approach excited states can also be treated. The first chapter of this thesis gives a brief description of the computational techniques employed. The second chapter describes results of calculations on the structural and electronic properties of carbon and germanium. We try to shed some light on a still poorly understood structural phase transition of graphite under pressure at low temperatures, which is different from the high temperature regime. Next, we study the phase transition path of germanium under pressure and predict the existence of a new phase. The following chapter explores the possibility of superconductivity in the graphite-like compound BC3 since there are many similarities between the electronic structure of this material and the 39 K superconductor MgB2. Subsequently, results of calculations on the adsorption of indium atoms on carbon nanotubes and graphite-like surfaces are presented. These studies explain some very interesting experimental results of In migration on nanotubes in an electrical potential. In the following chapters the electronic properties of very thin metallic MoSe nanowires are studied, and the different regimes of stability of metallic monatomic chains of Au, Al, Ag, Pd, Rh, and Ru are investigated and compared. Chapter 7 addresses the possible polymerization of C60 molecules inside carbon and boron nitride nanotubes. Finally, the propagation of a light signal in a medium with gains and losses is investigated, and the possibility of a discontinuity in the index of refraction is discussed.

  5. Tuning the Structural Color of a 2D Photonic Crystal Using a Bowl-like Nanostructure.

    PubMed

    Umh, Ha Nee; Yu, Sungju; Kim, Yong Hwa; Lee, Su Young; Yi, Jongheop

    2016-06-22

    Structural colors of the ordered photonic nanostructures are widely used as an effective platform for manipulating the propagation of light. Although several approaches have been explored in attempts to mimic the structural colors, improving the reproducibility, mechanical stability, and the economic feasibility of sophisticated photonic crystals prepared by complicated processes continues to pose a challenge. In this study, we report on an alternative, simple method for fabricating a tunable photonic crystal at room temperature. A bowl-like nanostructure of TiO2 was periodically arranged on a thin Ti sheet through a two-step anodization process where its diameters were systemically controlled by changing the applied voltage. Consequently, they displayed a broad color distribution, ranging from red to indigo, and the principal reason for color generation followed the Bragg diffraction theory. This noncolorant method was capable of reproducing a Mondrian painting on a centimeter scale without the need to employ complex architectures, where the generated structural colors were highly stable under mechanical or chemical influence. Such a color printing technique represents a potentially promising platform for practical applications for anticounterfeit trademarks, wearable sensors, and displays.

  6. Protein folding simulations of 2D HP model by the genetic algorithm based on optimal secondary structures.

    PubMed

    Huang, Chenhua; Yang, Xiangbo; He, Zhihong

    2010-06-01

    In this paper, based on the evolutionary Monte Carlo (EMC) algorithm, we have made four points of ameliorations and propose a so-called genetic algorithm based on optimal secondary structure (GAOSS) method to predict efficiently the protein folding conformations in the two-dimensional hydrophobic-hydrophilic (2D HP) model. Nine benchmarks are tested to verify the effectiveness of the proposed approach and the results show that for the listed benchmarks GAOSS can find the best solutions so far. It means that reasonable, effective and compact secondary structures (SSs) can avoid blind searches and can reduce time consuming significantly. On the other hand, as examples, we discuss the diversity of protein GSC for the 24-mer and 85-mer sequences. Several GSCs have been found by GAOSS and some of the conformations are quite different from each other. It would be useful for the designing of protein molecules. GAOSS would be an efficient tool for the protein structure predictions (PSP).

  7. Critical Slowing of Density Fluctuations Approaching the Isotropic-Nematic Transition in Liquid Crystals: 2D IR Measurements and Mode Coupling Theory.

    PubMed

    Sokolowsky, Kathleen P; Bailey, Heather E; Hoffman, David J; Andersen, Hans C; Fayer, Michael D

    2016-07-21

    Two-dimensional infrared (2D IR) data are presented for a vibrational probe in three nematogens: 4-cyano-4'-pentylbiphenyl, 4-cyano-4'-octylbiphenyl, and 4-(trans-4-amylcyclohexyl)-benzonitrile. The spectral diffusion time constants in all three liquids in the isotropic phase are proportional to [T*/(T - T*)](1/2), where T* is 0.5-1 K below the isotropic-nematic phase transition temperature (TNI). Rescaling to a reduced temperature shows that the decays of the frequency-frequency correlation function (FFCF) for all three nematogens fall on the same curve, suggesting a universal dynamic behavior of nematogens above TNI. Spectral diffusion is complete before significant orientational relaxation in the liquid, as measured by optically heterodyne detected-optical Kerr effect (OHD-OKE) spectroscopy, and before any significant orientational randomization of the probe measured by polarization selective IR pump-probe experiments. To interpret the OHD-OKE and FFCF data, we constructed a mode coupling theory (MCT) schematic model for the relationships among three correlation functions: ϕ1, a correlator for large wave vector density fluctuations; ϕ2, the orientational correlation function whose time derivative is the observable in the OHD-OKE experiment; and ϕ3, the FFCF for the 2D IR experiment. The equations for ϕ1 and ϕ2 match those in the previous MCT schematic model for nematogens, and ϕ3 is coupled to the first two correlators in a straightforward manner. Resulting models fit the data very well. Across liquid crystals, the temperature dependences of the coupling constants show consistent, nonmonotonic behavior. A remarkable change in coupling occurs at ∼5 K above TNI, precisely where the rate of spectral diffusion in 5CB was observed to deviate from that of a similar nonmesogenic liquid.

  8. Surviving structure in colloidal suspensions squeezed from 3D to 2D.

    PubMed

    Klapp, Sabine H L; Zeng, Yan; Qu, Dan; von Klitzing, Regine

    2008-03-21

    Combining colloidal-probe experiments and computer simulations, we analyze the solvation forces F of charged silica colloids confined in films of various thicknesses h. We show that the oscillations characterizing F(h), for sufficiently large h, are determined by the dominant wavelength of the bulk radial distribution function. As a consequence, both quantities display the same power-law density dependence. This is the first direct evidence, in a system treatable both by experiment and by simulation, that the structural wavelength in bulk and confinement coincide, in agreement with predictions from density functional theory. Moreover, theoretical and experimental data are in excellent quantitative agreement.

  9. 2-D Hierarchical Structure of a Block Copolymer and Bio-nanoparticle Composites

    NASA Astrophysics Data System (ADS)

    Shin, Dongseok; Lin, Yao; Wang, Qian; Russell, Thomas

    2007-03-01

    2-dimensional hierarchical structures were generated by combining two different self assembling systems; block copolymer and bio-nanoparticle. For this study, a block copolymer having a positively charged component, i.e. poly (styrene-b-N-methyl-4-vinylpyridinium iodide), was used. Thin film composites of this block copolymer and bio-nanoparticles were fabricated by adsorbing bio-particles on the polymer film and subsequently annealing the sample under the presence of solvent vapor. 2-dimensional hierarchical structures, where block copolymer chains microphase separated inside of discrete grains surrounded by bio-nanoparticles, were obtained with rod- like bio-particles (tobacco mosaic virus and M13 phage) as well as with spherical one (ferritin). The pH effect on the assembly of rod-like bio-particles and the morphology of composites was investigated. When the pH of the solution used for the adsorption of bio-particles was low, the bio-molecules aggregated and formed large bundles, while they were dispersed well at high pH. This difference was reflected in the morphology of the resultant complexes.

  10. Two novel 2D lanthanide sulfate frameworks: Syntheses, structures, and luminescence properties

    NASA Astrophysics Data System (ADS)

    Li, Zhong-Yi; Zhang, Chi; Zhang, Fu-Li; Zhang, Fu-Qiang; Zhang, Xiang-Fei; Li, Su-Zhi; Cao, Guang-Xiu; Zhai, Bin

    2016-03-01

    Two novel lanthanide-sulfate compounds, [Ln2(SO4)3(H2O)8] (Ln = Tb (1) and Dy (2)), have been synthesized under hydrothermal reactions. X-ray crystal structure analyses reveal that 1 and 2 are isomorphous and crystallize in monoclinic C2/c pace group, showing a layered structure. The layers bear a rare quasi-honeycomb metal arrangement, which is fastened by μ3 = η1:η1:η1 and μ2 = η1:η1 sulfates. If assigning the μ3 = η1:η1:η1 sulfate as a 3-connected node and the Ln3+ ion as a 4-connected node, the network can be rationalized as a binodal (3,4)-connected V2O5 topology with a Schäfli symbol of (42·63·8) (42·6). In addition, the infrared, thermogravimetric analysis and luminescent properties were also studied. Complexes 1 and 2 exhibit outstanding thermal stability and characteristic terbium and dysprosium luminescence.

  11. Ellipse fitting of short light stripe for structured-light-based 2D vision inspection

    NASA Astrophysics Data System (ADS)

    Zhang, Guangjun; Wei, Zhenzhong

    2003-09-01

    Structured light based 3D vision has wide applications in inspecting the form and position errors like straightness and coaxiality of cylindrical workpieces. But for these applications, the light stripe on the workpiece's surface is much too short, and contains inadequate data information, even with some noise. Under such circumstances, the ellipse fitting to the scattered data of the light stripe is not efficient enough, and its fitting accuracy is usually poor. To address this problem, a new least-square fitting method based on the constraint of ellipse minor axis (called CEMA method) is proposed in detail in this paper. Simulations are given for the proposed method and for five other popular methods described in the literature. The results show that the proposed method can efficiently improve the accuracy and the robustness of ellipse fitting to the scattered data of short light stripe.

  12. Algorithms for the automatic generation of 2-D structured multi-block grids

    NASA Technical Reports Server (NTRS)

    Schoenfeld, Thilo; Weinerfelt, Per; Jenssen, Carl B.

    1995-01-01

    Two different approaches to the fully automatic generation of structured multi-block grids in two dimensions are presented. The work aims to simplify the user interactivity necessary for the definition of a multiple block grid topology. The first approach is based on an advancing front method commonly used for the generation of unstructured grids. The original algorithm has been modified toward the generation of large quadrilateral elements. The second method is based on the divide-and-conquer paradigm with the global domain recursively partitioned into sub-domains. For either method each of the resulting blocks is then meshed using transfinite interpolation and elliptic smoothing. The applicability of these methods to practical problems is demonstrated for typical geometries of fluid dynamics.

  13. TUNABLE Band Structures of 2d Multi-Atom Archimedean-Like Phononic Crystals

    NASA Astrophysics Data System (ADS)

    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.

  14. Structure elucidation of organic compounds from natural sources using 1D and 2D NMR techniques

    NASA Astrophysics Data System (ADS)

    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.

  15. Solving structure in the CP29 light harvesting complex with polarization-phased 2D electronic spectroscopy

    PubMed Central

    Ginsberg, Naomi S.; Davis, Jeffrey A.; Ballottari, Matteo; Cheng, Yuan-Chung; Bassi, Roberto; Fleming, Graham R.

    2011-01-01

    The CP29 light harvesting complex from green plants is a pigment-protein complex believed to collect, conduct, and quench electronic excitation energy in photosynthesis. We have spectroscopically determined the relative angle between electronic transition dipole moments of its chlorophyll excitation energy transfer pairs in their local protein environments without relying on simulations or an X-ray crystal structure. To do so, we measure a basis set of polarized 2D electronic spectra and isolate their absorptive components on account of the tensor relation between the light polarization sequences used to obtain them. This broadly applicable advance further enhances the acuity of polarized 2D electronic spectroscopy and provides a general means to initiate or feed back on the structural modeling of electronically-coupled chromophores in condensed phase systems, tightening the inferred relations between the spatial and electronic landscapes of ultrafast energy flow. We also discuss the pigment composition of CP29 in the context of light harvesting, energy channeling, and photoprotection within photosystem II. PMID:21321222

  16. 2D IR spectroscopy of histidine: probing side-chain structure and dynamics via backbone amide vibrations.

    PubMed

    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.

  17. Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies

    SciTech Connect

    Lei Ran; Chai Xiaochuan; Mei Hongxin; Zhang Hanhui; Chen Yiping; Sun Yanqiong

    2010-07-15

    Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H{sub 2}L{sup 1}(HL{sup 1}){sub 2}(H{sub 2}O){sub 2}].2H{sub 2}O 1, [Ni{sub 2}(4,4'-bipy)(L{sup 2})(OH)(H{sub 2}O){sub 2}].3H{sub 2}O 2, Mn(phen){sub 2}(H{sub 2}L{sup 1}){sub 2}3 and Mn(phen)(HL{sup 2}) 4 (H{sub 3}L{sup 1}=p-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, H{sub 3}L{sup 2}=m-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni{sub 4} cluster units are connected by pairs of H{sub 3}L{sup 2} ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R{sub 2}{sup 2}(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H{sub 3}L{sup 2} ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H{sub 3}L{sup 1} and H{sub 3}L{sup 2} ligands in the compounds more efficiently. - Graphical abstract: A series of divalent transition metal carboxyarylphosphonate compounds were synthesized under hydrothermal conditions. The figure displays 2D sheet structure with large windows in compound 2.

  18. Structure and properties of phosphorene-like IV-VI 2D materials.

    PubMed

    Ma, Zhinan; Wang, Bo; Ou, Liangkai; Zhang, Yan; Zhang, Xu; Zhou, Zhen

    2016-10-14

    Because of the excellent physical and chemical properties of phosphorene, phosphorene and phosphorene-like materials have attracted extensive attention. Since phosphorus belongs to group V, some group IV-VI compounds could also form phosphorene-like configurations. In this work, GeO, SnO, GeS, and SnS monolayers were constructed to investigate the structural and electronic properties by employing first-principles computations. Phonon spectra suggest that these monolayers are dynamically stable and could be realized in experiments. These monolayers are all semiconductors with the band gaps of 2.26 ∼ 4.13 eV. Based on the monolayers, GeO, SnO, GeS, and SnS bilayers were also constructed. The band gaps of these bilayers are smaller than those of the corresponding monolayers. Moreover, the optical properties of these monolayers and bilayers were calculated, and the results indicate that the SnO, GeS and SnS bilayers exhibit obvious optical absorption in the visible spectrum. All the results suggest that phosphorene-like IV-VI materials are promising candidates for electronic and optical devices.

  19. A novel 2-D transition metal cyanide membrane: Modeling, structural, magnetic, and functional characterization

    NASA Astrophysics Data System (ADS)

    Goss, Marcus

    A novel 2-dimensional crystalline material composed of cyanide-bridged metal nanosheets with a square planar framework has been prepared. This material, similar to Hofmann clathrates, has a variety of interesting properties. The material is crystalline and possesses characteristics that include magnetic properties, electronic properties and useful structural features. They have recently been exfoliated into individual crystalline sheets. These sheets show a strong potential for use as ion selective membranes. Performance improvements in water purification and desalination by reverse osmosis methods owing to their single atom thickness is possible. A series of dynamic molecular simulations has provided an understanding of the mechanism for water permeability and salt rejection. Energy profiles for the passage of water and ionic species through the porous areas of these nanosheets have been built and reported. Performance estimates of the efficacy of this novel material for use as an ion selective membrane such as an improved desalination RO membrane are presented. Experiments in synthesis and exfoliation of this class of cyanide-bridged transition metal complex were conducted and the results are presented. A preliminary investigation into the magnetic properties of these materials is included.

  20. Characterization of Unsteady Flow Structures Near Landing-Edge Slat. Part 2; 2D Computations

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi; Choudhari, Meelan M.; Jenkins, Luther N.

    2004-01-01

    In our previous computational studies of a generic high-lift configuration, quasi-laminar (as opposed to fully turbulent) treatment of the slat cove region proved to be an effective approach for capturing the unsteady dynamics of the cove flow field. Combined with acoustic propagation via Ffowes Williams and Hawkings formulation, the quasi-laminar simulations captured some important features of the slat cove noise measured with microphone array techniques. However. a direct assessment of the computed cove flow field was not feasible due to the unavailability of off-surface flow measurements. To remedy this shortcoming, we have undertaken a combined experiment and computational study aimed at characterizing the flow structures and fluid mechanical processes within the slat cove region. Part I of this paper outlines the experimental aspects of this investigation focused on the 30P30N high-lift configuration; the present paper describes the accompanying computational results including a comparison between computation and experiment at various angles of attack. Even through predictions of the time-averaged flow field agree well with the measured data, the study indicates the need for further refinement of the zonal turbulence approach in order to capture the full dynamics of the cove's fluctuating flow field.

  1. Stability and electronic properties of SiGe-based 2D layered structures

    NASA Astrophysics Data System (ADS)

    Jamdagni, Pooja; Kumar, Ashok; Thakur, Anil; Pandey, Ravindra; Ahluwalia, P. K.

    2015-01-01

    The structural and electronic properties of the in-plane hybrids consisting of siligene (SiGe), and its derivatives in both mono and bilayer forms are investigated within density functional theory. Among several pristine and hydrogenated configurations, the so-called chair conformation is energetically favorable for monolayers. On the other hand, the bilayer siligane (HSiGeH) prefers AB-stacked chair conformation and bilayer siligone (HSiGe) prefers AA-stacked buckled conformation. In SiGe, the Dirac-cone character is predicted to be retained. HSiGe is a magnetic semiconductor with a band gap of ˜0.6 eV. The electronic properties show tunability under mechanical strain and transverse electric field; (i) the energy gap opens up in the SiGe bilayer, (ii) a direct-to-indirect gap transition is predicted by the applied strain in the HSiGeH bilayer, and (iii) a semiconductor-to-metal transition is predicted for HSiGe and HSiGeH bilayers under the application of strain and electric field, thus suggesting SiGe and its derivatives to be a potential candidate for electronic devices at nanoscale.

  2. Electrophysiological and Structural Remodeling in Heart Failure Modulate Arrhythmogenesis. 2D Simulation Study

    PubMed Central

    Gomez, Juan F.; Cardona, Karen; Martinez, Laura; Saiz, Javier; Trenor, Beatriz

    2014-01-01

    Background Heart failure is operationally defined as the inability of the heart to maintain blood flow to meet the needs of the body and it is the final common pathway of various cardiac pathologies. Electrophysiological remodeling, intercellular uncoupling and a pro-fibrotic response have been identified as major arrhythmogenic factors in heart failure. Objective In this study we investigate vulnerability to reentry under heart failure conditions by incorporating established electrophysiological and anatomical remodeling using computer simulations. Methods The electrical activity of human transmural ventricular tissue (5 cm×5 cm) was simulated using the human ventricular action potential model Grandi et al. under control and heart failure conditions. The MacCannell et al. model was used to model fibroblast electrical activity, and their electrotonic interactions with myocytes. Selected degrees of diffuse fibrosis and variations in intercellular coupling were considered and the vulnerable window (VW) for reentry was evaluated following cross-field stimulation. Results No reentry was observed in normal conditions or in the presence of HF ionic remodeling. However, defined amount of fibrosis and/or cellular uncoupling were sufficient to elicit reentrant activity. Under conditions where reentry was generated, HF electrophysiological remodeling did not alter the width of the VW. However, intermediate fibrosis and cellular uncoupling significantly widened the VW. In addition, biphasic behavior was observed, as very high fibrotic content or very low tissue conductivity hampered the development of reentry. Detailed phase analysis of reentry dynamics revealed an increase of phase singularities with progressive fibrotic components. Conclusion Structural remodeling is a key factor in the genesis of vulnerability to reentry. A range of intermediate levels of fibrosis and intercellular uncoupling can combine to favor reentrant activity. PMID:25054335

  3. Unusual Domain Structure and Filamentary Superfluidity for 2D Hard-Core Bosons in Insulating Charge-Ordered Phase

    NASA Astrophysics Data System (ADS)

    Panov, Yu. D.; Moskvin, A. S.; Rybakov, F. N.; Borisov, A. B.

    2016-12-01

    We made use of a special algorithm for compute unified device architecture for NVIDIA graphics cards, a nonlinear conjugate-gradient method to minimize energy functional, and Monte-Carlo technique to directly observe the forming of the ground state configuration for the 2D hard-core bosons by lowering the temperature and its evolution with deviation away from half-filling. The novel technique allowed us to examine earlier implications and uncover novel features of the phase transitions, in particular, look upon the nucleation of the odd domain structure, emergence of filamentary superfluidity nucleated at the antiphase domain walls of the charge-ordered phase, and nucleation and evolution of different topological structures.

  4. Structural system reliability under multiple failure modes

    NASA Technical Reports Server (NTRS)

    Mahadevan, S.; Chamis, C. C.

    1993-01-01

    This paper describes a computational method for system reliability estimation of propulsion structures. The failure domain of the entire structural system is computed through the union of failure regions for various critical system failure modes. The effect of non-critical progressive damage is incorporated through structural reanalysis, resulting in the construction of several linear segments to approximately cover the system failure domain. An adaptive damage imposition scheme is outlined for the sake of computational efficiency. The proposed method is used to construct the system survival cdf (cumulative distribution function) of a two-rotor system.

  5. Interpretation of radiative divertor studies with impurity seeding in type-I ELMy H-mode plasmas in JET-ILW using EDGE2D-EIRENE

    NASA Astrophysics Data System (ADS)

    Jaervinen, A. E.; Groth, M.; Airila, M.; Belo, P.; Beurskens, M.; Brezinsek, S.; Clever, M.; Corrigan, G.; Devaux, S.; Drewelow, P.; Eich, T.; Giroud, C.; Harting, D.; Huber, A.; Jachmich, S.; Lawson, K.; Lipschultz, B.; Maddison, G.; Maggi, C.; Makkonen, T.; Marchetto, C.; Marsen, S.; Matthews, G. F.; Meigs, A. G.; Moulton, D.; Stamp, M. F.; Wiesen, S.; Wischmeier, M.

    2015-08-01

    Nitrogen seeded JET-ILW H-mode plasmas have been investigated with EDGE2D-EIRENE. The simulations reproduce the experimentally observed factor of 10 reduction in the outer target power deposition when the normalized divertor radiation, Praddiv/PSOL, increases from the unseeded levels of 15% up to the 50% levels required for detachment. At these radiation levels, nitrogen is predicted dominate the total radiation with a contribution of 85%, consistent with previous measurements in JET-C. Due to the low radiative potential of nitrogen at the electron temperatures above 100 eV, more than 80% of the radiation is predicted to occur in the scrape-off layer, making nitrogen a suitable divertor radiator for typical JET divertor conditions with Te around 30 eV. The simulations reproduce the experimentally observed particle flux reduction at the low-field side target without the need for strong recombination. This is due to strong impurity radiation reducing the power levels entering the deuterium ionization front.

  6. Ab Initio Based 2D Continuum Mechanics - Sensitivity Prediction for Contact Resonance Atomic Force Microscopy Based Structure Fingerprints

    NASA Astrophysics Data System (ADS)

    Tu, Qing; Lange, Björn; Lopes, J. Marcelo J.; Zauscher, Stefan; Blum, Volker

    Contact resonance AFM is demonstrated as a powerful tool for mapping differences in the mechanical properties of 2D materials and heterostructures, permitting to resolve surface and subsurface structural differences of different domains. Measured contact resonance frequencies are related to the contact stiffness of the combined tip-sample system. Based on first principles predicted elastic properties and a continuum approach to model the mechanical impedance, we find contact stiffness ratios between different domains of few-layer graphene on 3C-SiC(111) in excellent agreement with experiment. We next demonstrate that the approach is able to quantitatively resolve differences between other 2D materials domains, e.g., for h-BN, MoS2 and MoO3 on graphene on SiC. We show that the combined effect of several materials parameters, especially the in-plane elastic properties and the layer thickness, determines the contact stiffness, therefore boosting the sensitivity even if the out-of-plane elastic properties are similar.

  7. Mirror mode structures in the Saturn's MSH

    NASA Astrophysics Data System (ADS)

    Gutynska, O.; Genot, V. N.; André, N.; Jacquey, C.; Budnik, E.

    2012-12-01

    The origin and shape of mirror structures are discussed using the observations of magnetic field and plasma data from Cassini spacecraft during 2004-2007 years. We find that these structures show typically large anticorrelation between plasma and magnetic field fluctuations together with large occurrence frequency of magnetic holes closer to the magnetopause. To propose a process of formation and evolution of mirror structures in the Saturn's magnetosheath we attempt to model the age of magnetic structures with an analytical flow model based on an approach similar to the Earth's magnetosheath case. We discuss dependence of scale sizes of mirror mode structures on different parameters. This work has been performed in the frame of the FP7 Europlanet project.

  8. Controlled Self-Assembly of Cyclophane Amphiphiles: From 1D Nanofibers to Ultrathin 2D Topological Structures

    SciTech Connect

    Cai, Zhengxu; Li, Lianwei; Lo, Wai-Yip; Zhao, Donglin; Wu, Qinghe; Zhang, Na; Su, Yu-An; Chen, Wei; Yu, Luping

    2016-07-05

    A novel series of amphiphilic TC-PEG molecules were designed and synthesized based on the orthogonal cyclophane unit. These molecules were able to self-assemble from 1D nanofibers and nanobelts to 2D ultrathin nanosheets (3 nm thick) in a controlled way by tuning the length of PEG side chains. The special structure of the cyclophane moiety allowed control in construction of nanostructures through programmed noncovalent interactions (hydrophobic hydrophilic interaction and pi-pi interaction). The self-assembled nanostructures were characterized by combining real space imaging (TEM, SEM, and AFM) and reciprocal space scattering (GIWAXS) techniques. This unique supramolecular system may provide a new strategy for the design of materials with tunable nanomorphology and functionality.

  9. Structural, electronic transport and optical properties of functionalized quasi-2D TiC2 from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Berdiyorov, G. R.; Madjet, M. E.

    2016-12-01

    Using the first-principles density functional theory, we study the effect of surface functionalization on the structural and optoelectronic properties of recently proposed quasi-two-dimensional material TiC2 [T. Zhao, S. Zhang, Y. Guo, Q. Wang, Nanoscale 8 (2016) 233]. Hydrogenated, fluorinated, oxidized and hydroxylated surfaces are considered. Significant changes in the lattice parameters and partial charge distributions are found due to the surface termination. Direct contribution of the adatoms to the system density of states near the Fermi level is obtained, which has a major impact on the optoelectronic properties of the material. For example, surface termination results in larger absorption in the visible range of the spectrum. The electronic transport is also affected by the surface functionalization: the current in the system can be reduced by an order of magnitude. These findings indicate the importance of the effects of surface passivation on optoelectronic properties of this quasi-2D material.

  10. The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures.

    PubMed

    Popov, Z I; Mikhaleva, N S; Visotin, M A; Kuzubov, A A; Entani, S; Naramoto, H; Sakai, S; Sorokin, P B; Avramov, P V

    2016-12-07

    The structural, magnetic and electronic properties of 2D VX2 (X = S, Se) monolayers and graphene/VX2 heterostructures were studied using a DFT+U approach. It was found that the stability of the 1T phases of VX2 monolayers is linked to strong electron correlation effects. The study of vertical junctions comprising of graphene and VX2 monolayers demonstrated that interlayer interactions lead to the formation of strong spin polarization of both graphene and VX2 fragments while preserving the linear dispersion of graphene-originated bands. It was found that the insertion of Mo atoms between the layers leads to n-doping of graphene with a selective transformation of graphene bands keeping the spin-down Dirac cone intact.

  11. Kohn-Sham Band Structure Benchmark Including Spin-Orbit Coupling for 2D and 3D Solids

    NASA Astrophysics Data System (ADS)

    Huhn, William; Blum, Volker

    2015-03-01

    Accurate electronic band structures serve as a primary indicator of the suitability of a material for a given application, e.g., as electronic or catalytic materials. Computed band structures, however, are subject to a host of approximations, some of which are more obvious (e.g., the treatment of the exchange-correlation of self-energy) and others less obvious (e.g., the treatment of core, semicore, or valence electrons, handling of relativistic effects, or the accuracy of the underlying basis set used). We here provide a set of accurate Kohn-Sham band structure benchmarks, using the numeric atom-centered all-electron electronic structure code FHI-aims combined with the ``traditional'' PBE functional and the hybrid HSE functional, to calculate core, valence, and low-lying conduction bands of a set of 2D and 3D materials. Benchmarks are provided with and without effects of spin-orbit coupling, using quasi-degenerate perturbation theory to predict spin-orbit splittings. This work is funded by Fritz-Haber-Institut der Max-Planck-Gesellschaft.

  12. Transformation from a 2D stacked layer to 3D interpenetrated framework by changing the spacer functionality: synthesis, structure, adsorption, and magnetic properties.

    PubMed

    Maji, Tapas Kumar; Ohba, Masaaki; Kitagawa, Susumu

    2005-12-12

    Two novel coordination polymers of Cu(II), viz. [Cu(bipy)(1,4-napdc)(H2O)2]n and {[Cu(bpe)1.5(1,4-napdc)](H2O)}n (bipy=4,4'-bipyridine; bpe=1,2-bis(4-pyridyl)ethane; 1,4-napdc2-=1,4-naphthalenedicarboxylate), have been synthesized and structurally characterized by changing only the pillar motifs. Both the compounds crystallize by slow evaporation from the ammoniacal solution of the as-synthesized solid. Framework 1 crystallizes in monoclinic crystal system, space group P2/n (No. 13), with a=11.028(19) A, b=11.16(3) A, c=7.678(13) A, beta=103.30(5) degrees, and Z=2. Framework 2 crystallizes in triclinic system, space group, P (No. 2), a=10.613(4) A, b=10.828(10) A, c=13.333(9) A, alpha=85.25(9) degrees, beta=82.59(6) degrees, gamma=60.37(5) degrees, and Z=2. The structure determination reveals that has a 2D network based on rectangular grids, where each Cu(II) is in 4+2 coordination mode. The 2D networks stacked in a staggered manner through the pi-pi interaction to form a 3D supramolecular network. In the case of, a {Cu(bpe)1.5}n ladder connected by 1,4-napdc2- results a 2D cuboidal bilayer network and each bilayer network is interlocked by two adjacent identical network (upper and lower) forming 3-fold interpenetrated 3D framework with small channel along the c-axis, which accommodates two water molecules. The TGA and XRPD measurements reveal that both the frameworks are stable after dehydration. Adsorption measurements (N2, CO2, and different solvents, like H2O, MeOH, etc.) were carried out for both frameworks. Framework shows type-II sorption profile with N2 in contrast to H2O and MeOH, which are chemisorbed in the framework. In case of, only H2O molecules can diffuse into the micropore, whereas N2, CO2, and MeOH cannot be adsorbed, as corroborated by the smaller channel aperture. The low-temperature (300-2 K) magnetic measurement of and reveals that both are weakly antiferromagnetically coupled (J=-1.85 cm-1, g=2.02; J=-0.153 cm-1, g=2.07), which is correlated

  13. Quantification of transition dipole strengths using 1D and 2D spectroscopy for the identification of molecular structures via exciton delocalization: Application to α-helices

    PubMed Central

    Grechko, Maksim; Zanni, Martin T.

    2012-01-01

    Vibrational and electronic transition dipole strengths are often good probes of molecular structures, especially in excitonically coupled systems of chromophores. One cannot determine transition dipole strengths using linear spectroscopy unless the concentration is known, which in many cases it is not. In this paper, we report a simple method for measuring transition dipole moments from linear absorption and 2D IR spectra that does not require knowledge of concentrations. Our method is tested on several model compounds and applied to the amide I′ band of a polypeptide in its random coil and α-helical conformation as modulated by the solution temperature. It is often difficult to confidently assign polypeptide and protein secondary structures to random coil or α-helix by linear spectroscopy alone, because they absorb in the same frequency range. We find that the transition dipole strength of the random coil state is 0.12 ± 0.013 D2, which is similar to a single peptide unit, indicating that the vibrational mode of random coil is localized on a single peptide unit. In an α-helix, the lower bound of transition dipole strength is 0.26 ± 0.03 D2. When taking into account the angle of the amide I′ transition dipole vector with respect to the helix axis, our measurements indicate that the amide I′ vibrational mode is delocalized across a minimum of 3.5 residues in an α-helix. Thus, one can confidently assign secondary structure based on exciton delocalization through its effect on the transition dipole strength. Our method will be especially useful for kinetically evolving systems, systems with overlapping molecular conformations, and other situations in which concentrations are difficult to determine. PMID:23163364

  14. Anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)-organic framework

    NASA Astrophysics Data System (ADS)

    Lee, Li-Wei; Luo, Tzuoo-Tsair; Wang, Chih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh

    2016-07-01

    A Cd(II)-organic framework {[Cd2(tpim)4(SO4)(H2O)2]·(SO4)·21H2O}n (1) was synthesized by reacting CdSO4·8/3H2O and 2,4,5-tri(4-pyridyl)imidazole (tpim) under hydrothermal conditions. A structural analysis showed that compound 1 adopts a layered structure in which the [Cd(tpim)2]n chains are linked by sulfate anions. These 2D layers are further packed into a 3D supramolecular framework via π-π interactions. The structure contains two types of SO42- anions, i.e., bridging SO42- and free SO42- anions, the latter of which are included in the large channels of the framework. Compound 1 exhibits interesting anion exchange behavior. In the presence of SCN- anions, both the bridging and free SO42- anions in 1 were completely exchanged by SCN- ligands to form a 1D species [Cd(tpim)2(SCN)2] (1A), in which the SCN- moieties function as a monodentate ligand. On the other hand, when compound 1 was ion exchanged with N3- anions in aqueous solution, the bridging SO42- moieties remained intact, and only the free guest SO42- were replaced by N3- anions. The gas adsorption behavior of the activated compound 1 was also investigated.

  15. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure.

    PubMed

    Gruznev, D V; Bondarenko, L V; Tupchaya, A Y; Eremeev, S V; Mihalyuk, A N; Chou, J P; Wei, C M; Zotov, A V; Saranin, A A

    2017-01-25

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e.  ∼0.67 ML Tl and  ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  16. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure

    NASA Astrophysics Data System (ADS)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Eremeev, S. V.; Mihalyuk, A. N.; Chou, J. P.; Wei, C. M.; Zotov, A. V.; Saranin, A. A.

    2017-01-01

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), \\sqrt{3}× \\sqrt{3} -(Tl, Pb) and 3× 3 -(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)3× 3 compound contains six Tl atoms and seven Pb atoms per 3× 3 unit cell (i.e.  ˜0.67 ML Tl and  ˜0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} and (Tl, Pb)/Ge(1 1 1)3× 3 compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} , these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  17. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    NASA Astrophysics Data System (ADS)

    Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

    2016-10-01

    The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

  18. Structure of the HCMV UL16-MICB Complex Elucidates Select Binding of a Viral Immunoevasin to Diverse NKG2D Ligands

    PubMed Central

    Müller, Steffen; Zocher, Georg; Steinle, Alexander; Stehle, Thilo

    2010-01-01

    The activating immunoreceptor NKG2D promotes elimination of infected or malignant cells by cytotoxic lymphocytes through engagement of stress-induced MHC class I-related ligands. The human cytomegalovirus (HCMV)-encoded immunoevasin UL16 subverts NKG2D-mediated immune responses by retaining a select group of diverse NKG2D ligands inside the cell. We report here the crystal structure of UL16 in complex with the NKG2D ligand MICB at 1.8 Å resolution, revealing the molecular basis for the promiscuous, but highly selective, binding of UL16 to unrelated NKG2D ligands. The immunoglobulin-like UL16 protein utilizes a three-stranded β-sheet to engage the α-helical surface of the MHC class I-like MICB platform domain. Intriguingly, residues at the center of this β-sheet mimic a central binding motif employed by the structurally unrelated C-type lectin-like NKG2D to facilitate engagement of diverse NKG2D ligands. Using surface plasmon resonance, we find that UL16 binds MICB, ULBP1, and ULBP2 with similar affinities that lie in the nanomolar range (12–66 nM). The ability of UL16 to bind its ligands depends critically on the presence of a glutamine (MICB) or closely related glutamate (ULBP1 and ULBP2) at position 169. An arginine residue at this position however, as found for example in MICA or ULBP3, would cause steric clashes with UL16 residues. The inability of UL16 to bind MICA and ULBP3 can therefore be attributed to single substitutions at key NKG2D ligand locations. This indicates that selective pressure exerted by viral immunoevasins such as UL16 contributed to the diversification of NKG2D ligands. PMID:20090832

  19. Terrace Zone Structure in the Chicxulub Impact Crater Based on 2-D Seismic Reflection Profiles: Preliminary Results From EW#0501

    NASA Astrophysics Data System (ADS)

    McDonald, M. A.; Gulick, S. P.; Gorney, D. L.; Christeson, G. L.; Barton, P. J.; Morgan, J. V.; Warner, M. R.; Urrutia-Fucugauchi, J.; Melosh, H. J.; Vermeesch, P. M.; Surendra, A. T.; Goldin, T.; Mendoza, K.

    2005-05-01

    Terrace zones, central peaks, and flat floors characterize complex craters like the Chicxulub impact crater located near the northeast coast of the Yucatan Peninsula. The subsurface crater structure was studied using seismic reflection surveying in Jan/Feb 2005 by the R/V Maurice Ewing. We present 2-D seismic profiles including constant radius, regional, and grid profiles encompassing the 195 km width of the crater. These diversely oriented lines clearly show the terrace zones and aid in the search for crater ejecta as we investigate the formation of the crater including the incidence angle and direction of the extraterrestrial object that struck the Yucatan Peninsula 65 million years ago (K-T boundary). Terrace zones form in complex craters after the modification stage as a result of the gravitational collapse of overextended sediment back into the crater cavity. The terrace zone is clearly imaged on seismic profiles confirming the complex structure of the Chixculub crater. Recent work on reprocessed 1996 profiles found different sizes and spacing of the terraces and concluded that the variations in radial structure are a result of an oblique impact. A SW-NE profile from this study was the only line to show a concentration of deformation near the crater rim hinting that the northeast was the downrange direction of impact. We confirm this narrowing in terrace spacing using a profile with a similar orientation in the 2005 images. Through integration of the new dense grid of profiles and radial lines from the 1996 and 2005 surveys we map the 3-D variability of the terrace zones to further constrain impact direction and examine the formative processes of the Chixculub and other large impact craters.

  20. Method of fan sound mode structure determination

    NASA Technical Reports Server (NTRS)

    Pickett, G. F.; Sofrin, T. G.; Wells, R. W.

    1977-01-01

    A method for the determination of fan sound mode structure in the Inlet of turbofan engines using in-duct acoustic pressure measurements is presented. The method is based on the simultaneous solution of a set of equations whose unknowns are modal amplitude and phase. A computer program for the solution of the equation set was developed. An additional computer program was developed which calculates microphone locations the use of which results in an equation set that does not give rise to numerical instabilities. In addition to the development of a method for determination of coherent modal structure, experimental and analytical approaches are developed for the determination of the amplitude frequency spectrum of randomly generated sound models for use in narrow annulus ducts. Two approaches are defined: one based on the use of cross-spectral techniques and the other based on the use of an array of microphones.

  1. Inhomogeneous 2D linear intergrowth structures among novel Y-Cu-Mg ternary compounds with yttrium/copper equiatomic ratio

    NASA Astrophysics Data System (ADS)

    Solokha, Pavlo; De Negri, Serena; Pavlyuk, Volodymyr; Saccone, Adriana

    2009-04-01

    Single crystals of the Y 5Cu 5Mg 8, Y 5Cu 5Mg 13, Y 5Cu 5Mg 16 and YCuMg 4 compounds were synthesized by heating in a resistance furnace evacuated quartz vials containing Ta-crucibles with element pieces. SEM-EDXS analyses were performed to check phases composition. The structures were refined from X-ray single crystal diffraction data. Y 5Cu 5Mg 8, Y 5Cu 5Mg 13 and Y 5Cu 5Mg 16 represent new structure types: Y 5Cu 5Mg 8 - orthorhombic, Pmma, oP36, a = 2.63723(15), b = 0.40066(2), c = 0.74115(6) nm, Z = 2, wR2 = 0.0597, 939 F2 values, 60 variables; Y 5Cu 5Mg 13 - orthorhombic, Cmcm, oS92, a = 0.40973(2), b = 1.92794(8), c = 2.57907(11) nm, Z = 4, wR2 = 0.1134, 1208 F2 values, 75 variables; Y 5Cu 5Mg 16 - orthorhombic, Cmcm, oS104, a = 0.41360(8), b = 1.9239(4), c = 2.9086(6) nm, Z = 4, wR2 = 0.0760, 1383 F2 values, 84 variables. YCuMg 4 crystallizes in the TbCuMg 4 structure type ( Cmmm, oS48, a = 1.35754(4), b = 2.03153(6), c = 0.39060(1) nm, Z = 8, wR2 = 0.0401, 661 F2 values, 45 variables). The crystal chemistry of these two-layer structures is comparatively discussed. Majority of novel compounds were characterized as members of inhomogeneous 2D intergrowth structure series of R 5M 5X 5, X 4 (Mg 4) and empty Mg octahedra building blocks of general formula R 5 kM 5 kX 5 k + 4 l + m. The common pentagonal prism derivative structural fragments around the most electropositive yttrium atoms were outlined in all these intermetallics.

  2. Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2‧-dithiodibenzoic acid

    NASA Astrophysics Data System (ADS)

    Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping

    2017-02-01

    Two series of lanthanide-carboxylates, [Ln(2,2‧-dtba)(2,2‧-Hdtba)(EtOH)]n (I:Ln=Eu(1a), Dy(1b)) and [Ln(2,2‧-dtba)(2,2‧-Hdtba)(4,4‧-bpy)0.5]n (II:Ln=Eu(2a), Dy(2b), Tb(2c) 2,2‧-H2dtba=2,2‧-dithiodibenzoic acid, 4,4‧-bpy=4,4‧-bipyridine) have been synthesized under hydrothermal conditions. Interestingly, the H2dtba organic ligand was generated by in situ S-S reaction of 2-mercaptobenzoic acid. Compounds I and II possess different 2D layered structures based on similar 1D [Ln(2,2‧-dtba)]+ chains. Photoluminescence studies reveal that compounds I and II exhibit strong lanthanide characteristic emission bands. Remarkably, Compounds 1b and 2a both exhibit good photocatalytic activity for degradation of Rhodamine-B (Rh-B) under the simulated sunlight irradiation.

  3. 2D quasiperiodic plasmonic crystals

    PubMed Central

    Bauer, Christina; Kobiela, Georg; Giessen, Harald

    2012-01-01

    Nanophotonic structures with irregular symmetry, such as quasiperiodic plasmonic crystals, have gained an increasing amount of attention, in particular as potential candidates to enhance the absorption of solar cells in an angular insensitive fashion. To examine the photonic bandstructure of such systems that determines their optical properties, it is necessary to measure and model normal and oblique light interaction with plasmonic crystals. We determine the different propagation vectors and consider the interaction of all possible waveguide modes and particle plasmons in a 2D metallic photonic quasicrystal, in conjunction with the dispersion relations of a slab waveguide. Using a Fano model, we calculate the optical properties for normal and inclined light incidence. Comparing measurements of a quasiperiodic lattice to the modelled spectra for angle of incidence variation in both azimuthal and polar direction of the sample gives excellent agreement and confirms the predictive power of our model. PMID:23209871

  4. Spectral and structural properties of 2D network complex [Ni(4,4'-bipyridine) 2(NCS) 2] n

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Jianmin, L.; Nishiura, M.; Imamoto, T.

    2000-02-01

    The complex [Ni(4,4'-bipyridine) 2(NCS) 2] n, in which nickel atoms are linked by two different Ni-4,4'-bpy-Ni assemblies to form two-dimensional distorted square net structure and the most effective packing of layers, has been isolated and structurally characterized. It represents the first example of Ni(II)-4,4'-bpy complex possesses 2D network. Crystal data for I: Fw=487.23, a=12.156(3), b=11.38(2), c=16.646(8) Å, β=100.43(3), V=2265(1) Å3, Z=4, space group=C2/c, T=298 K, λ((Mo-K α)=0.71070 Å, ρ calc=1.429 g cm -3, μ=10.62 cm-1, F(000)=1000, R=0.054, Rw=0.086, GOF=3.98. The UV-VIS absorption spectrum of the title complex is also reported and explained perfectly by the scaling radial theory which proposed by us. The strong and broad absorption bands occurred at 10433, 16830, 26556 cm -1, and they are assigned as d-d transitions of Ni(II) ion in octahedral field: 3A2g→ 3T2ga,b+ 3T2gc; 3A2g→ 3T1gz+ 3T1gy,x; 3A2g→ 3T1gz+ 3T1gy,x. The calculated results of the d-d transition energy levels agree well with the experimental values.

  5. Upper Crustal Structure of the Cleft Segment of the Juan de Fuca Ridge using 2D Streamer travel time tomography

    NASA Astrophysics Data System (ADS)

    Ghosh, S.; Canales, J.; Carbotte, S. M.; Nedimovic, M. R.

    2009-12-01

    We use long off-set (6 km) multichannel seismic reflection data to obtain the P-wave seismic structure of the upper ~2 km of the crust along the southern part of the intermediate-spreading Juan de Fuca Ridge (Cleft segment). Along this segment, the top of the Axial Magma Chamber (AMC) deepens from south to north from about 2.0 km at the southern end of the segment to about 2.3 km at the northern end. Both segment ends are characterized by high-temperature hydrothermal venting. Our objective is to study the effects of high temperature hydrothermal circulation on the seismic structure of the shallow crust. We jointly inverted refracted and reflected travel times (from the top of the AMC) to obtain the 2 dimensional velocity structure of the earth along ~60 km of the ridge axis. Prior to tomographic inversion, processing of marine seismic data included trace editing, trapezoidal band pass filtering (3-5-15-30 Hz), formation of partial off-set stacks of 5 shots (i.e, supershots) to increase the signal to noise ratio and downward continuation of the wavefield to a datum just above the sea floor (i.e, phase shift in the frequency-wave number domain of both source and receiver gathers to extract travel time information from refracted arrivals at near offset. Traveltime picking of the arrivals was done using a semi automated first break routine. The picked travel times of the first refracted arrivals and the reflected arrivals from the AMC are then input into a tomography inversion algorithm to build a 2D velocity model. Our results do not show detectable velocity variations associated with the presence of active high-temperature hydrothermal discharge, probably because the length scale of hydrothermal alteration is smaller than the resolving power of traveltime tomography. However our results are a first step towards higher-resolution seismic imaging models using waveform inversion. We will also present results from off-axis data to understand the early evolution of the

  6. The complex mixed Wentzel–Kramers–Brillouin-full-wave approach and its application to the two dimensional mode structure analysis of ion temperature gradient/collisionless trapped electron mode drift waves

    SciTech Connect

    Lu, Z. X.

    2015-05-15

    The complex mixed Wentzel–Kramers–Brillouin (WKB)-full-wave approach is applied to the 2D mode structure analysis of ion temperature gradient/collisionless trapped electron mode drift waves in tokamak plasmas. The parallel mode structure is calculated with the full-wave approach, while the radial envelope is calculated with the complex WKB method. The tilting of the global mode structure along radius is demonstrated analytically. The effects of the phase and amplitude variation of the radial envelope on the parallel mode structure are included in terms of a complex radial wave vector in the parallel mode equation. It is shown that the radial equilibrium non-uniformity leads to the asymmetry of the parallel mode structure not only in configuration space but also in spectrum space. The mixed approach provides a practical way to analyze the asymmetric component of the global mode structure due to radial equilibrium non-uniformity.

  7. Syntheses, crystal structures, and characterization of three 1D, 2D and 3D complexes based on mixed multidentate N- and O-donor ligands

    SciTech Connect

    Yang, Huai-Xia; Liang, Zhen; Hao, Bao-Lian; Meng, Xiang-Ru

    2014-10-15

    Three new 1D to 3D complexes, namely, ([Ni(btec)(Himb){sub 2}(H{sub 2}O){sub 2}]·6H{sub 2}O){sub n} (1), ([Cd(btec){sub 0.5}(imb)(H{sub 2}O)]·1.5H{sub 2}O){sub n} (2), and ([Zn(btec){sub 0.5}(imb)]·H{sub 2}O){sub n} (3) (H{sub 4}btec=1,2,4,5-benzenetetracarboxylic acid, imb=2-(1H-imidazol-1-methyl)-1H-benzimidazole) have been synthesized by adjusting the central metal ions. Single-crystal X-ray diffraction analyses reveal that complex 1 possesses a 1D chain structure which is further extended into the 3D supramolecular architecture via hydrogen bonds. Complex 2 features a 2D network with Schla¨fli symbol (5{sup 3}·6{sup 2}·7)(5{sup 2}·6{sup 4}). Complex 3 presents a 3D framework with a point symbol of (4·6{sup 4}·8)(4{sup 2}·6{sup 2}·8{sup 2}). Moreover, their IR spectra, PXRD patterns, thermogravimetric curves, and luminescent emissions were studied at room temperature. - Graphical abstract: Three new 1D to 3D complexes with different structural and topological motifs have been obtained by modifying the central metal ions. Additionally, their IR, TG analyses and fluorescent properties are also investigated. - Highlights: • Three complexes based on mixed multidentate N- and O-donor ligands. • The complexes are characterized by IR, luminescence and TGA techniques. • Benzenetetracarboxylates display different coordination modes in complexes 1–3. • Changing the metal ions can result in complexes with completely different structures.

  8. Prediction of P53 Mutants (Multiple Sites) Transcriptional Activity Based on Structural (2D&3D) Properties

    PubMed Central

    Geetha Ramani, R.; Jacob, Shomona Gracia

    2013-01-01

    Prediction of secondary site mutations that reinstate mutated p53 to normalcy has been the focus of intense research in the recent past owing to the fact that p53 mutants have been implicated in more than half of all human cancers and restoration of p53 causes tumor regression. However laboratory investigations are more often laborious and resource intensive but computational techniques could well surmount these drawbacks. In view of this, we formulated a novel approach utilizing computational techniques to predict the transcriptional activity of multiple site (one-site to five-site) p53 mutants. The optimal MCC obtained by the proposed approach on prediction of one-site, two-site, three-site, four-site and five-site mutants were 0.775,0.341,0.784,0.916 and 0.655 respectively, the highest reported thus far in literature. We have also demonstrated that 2D and 3D features generate higher prediction accuracy of p53 activity and our findings revealed the optimal results for prediction of p53 status, reported till date. We believe detection of the secondary site mutations that suppress tumor growth may facilitate better understanding of the relationship between p53 structure and function and further knowledge on the molecular mechanisms and biological activity of p53, a targeted source for cancer therapy. We expect that our prediction methods and reported results may provide useful insights on p53 functional mechanisms and generate more avenues for utilizing computational techniques in biological data analysis. PMID:23468845

  9. Watching Silica's Dance: Imaging the Structure and Dynamics of the Atomic (Re-) Arrangements in 2D Glass

    NASA Astrophysics Data System (ADS)

    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

  10. A numerical method for seeking the relationship between structural modes and acoustic radiation modes of complicated structures

    NASA Astrophysics Data System (ADS)

    Chang-wei, SU; Hai-chao, ZHU; Chang-geng, SHUAI; Rong-fu, MAO

    2016-09-01

    Both structural modes and acoustic radiation modes play important roles in the investigation of structure-borne sound. However, little work has been done for inherent relations between these two kinds of modes. Previous work has mainly dealt with simple and regular structures such as rectangular plates and single-layer cylindrical shells. Therefore, the relationship between structural modes and acoustic radiation modes of complicated structures which has great theory significance and utility value is an important problem that must be studied. This paper presents a numerical method for seeking the relationship between structural modes and acoustic radiation modes of complicated structures. First, a governing equation for relating these two kinds of modes is given based on the characteristics of the modes. Then, substitute the normal structural mode shape matrix and the acoustic radiation mode shape matrix which are obtained by FEM into the governing equation, the modal participating coefficients can be solved, thus we can get the corresponding relations between these two kinds of modes. Using the model of a simply supported truncated conical shell, a numerical example is presented with the numerical method which this paper has proposed. And then, the radiated sound power is calculated to verify the effectiveness of this method and the correctness of this conclusion. The results show that the numerical method proposed in this paper is feasible.

  11. Structural resonance and mode of flutter of hummingbird tail feathers.

    PubMed

    Clark, Christopher J; Elias, Damian O; Girard, Madeline B; Prum, Richard O

    2013-09-15

    Feathers can produce sound by fluttering in airflow. This flutter is hypothesized to be aeroelastic, arising from the coupling of aerodynamic forces to one or more of the feather's intrinsic structural resonance frequencies. We investigated how mode of flutter varied among a sample of hummingbird tail feathers tested in a wind tunnel. Feather vibration was measured directly at ~100 points across the surface of the feather with a scanning laser Doppler vibrometer (SLDV), as a function of airspeed, Uair. Most feathers exhibited multiple discrete modes of flutter, which we classified into types including tip, trailing vane and torsional modes. Vibratory behavior within a given mode was usually stable, but changes in independent variables such as airspeed or orientation sometimes caused feathers to abruptly 'jump' from one mode to another. We measured structural resonance frequencies and mode shapes directly by measuring the free response of 64 feathers stimulated with a shaker and recorded with the SLDV. As predicted by the aeroelastic flutter hypothesis, the mode shape (spatial distribution) of flutter corresponded to a bending or torsional structural resonance frequency of the feather. However, the match between structural resonance mode and flutter mode was better for tip or torsional mode shapes, and poorer for trailing vane modes. Often, the 3rd bending structural harmonic matched the expressed mode of flutter, rather than the fundamental. We conclude that flutter occurs when airflow excites one or more structural resonance frequencies of a feather, most akin to a vibrating violin string.

  12. 2D-ELDOR study of heterogeneity and domain structure changes in plasma membrane vesicles upon cross-linking of receptors.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Baird, Barbara; Freed, Jack H

    2011-09-08

    2D electron-electron double resonance (2D-ELDOR) with the "full Sc-" method of analysis is applied to the study of plasma membrane vesicles. Membrane structural changes upon antigen cross-linking of IgE receptors (IgE-FcεRI) in plasma membrane vesicles (PMVs) isolated from RBL-2H3 mast cells are investigated, for the first time, by means of these 2D-ELDOR techniques. Spectra of 1-palmitoyl-2-(16-doxyl stearoyl) phosphatidylcholine (16-PC) from PMVs before and after this stimulation at several temperatures are reported. The results demonstrate a coexistence of liquid-ordered (L(o)) and liquid-disordered (L(d)) components. We find that upon cross-linking, the membrane environment is remodeled to become more disordered, as shown by a moderate increase in the population of the L(d) component. This change in the relative amount of the L(o) versus L(d) components upon cross-linking is consistent with a model wherein the IgE receptors, which when clustered by antigen to cause cell stimulation, lead to more disordered lipids, and their dynamic and structural properties are slightly altered. This study demonstrates that 2D-ELDOR, analyzed by the full Sc- method, is a powerful approach for capturing the molecular dynamics in biological membranes. This is a particular case showing how 2D-ELDOR can be applied to study physical processes in complex systems that yield subtle changes.

  13. Gold-induced nanowires on the Ge(100) surface yield a 2D and not a 1D electronic structure

    NASA Astrophysics Data System (ADS)

    de Jong, N.; Heimbuch, R.; Eliëns, S.; Smit, S.; Frantzeskakis, E.; Caux, J.-S.; Zandvliet, H. J. W.; Golden, M. S.

    2016-06-01

    Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, one-dimensional Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of controversy as to whether the Au-induced nanowires do indeed host exotic, 1D (one-dimensional) metallic states. In light of this debate, we report here a thorough study of the electronic properties of high quality nanowires formed at the Au/Ge(100) surface. The high-resolution ARPES data show the low-lying Au-induced electronic states to possess a dispersion relation that depends on two orthogonal directions in k space. Comparison of the E (kx,ky) surface measured using high-resolution ARPES to tight-binding calculations yields hopping parameters in the two different directions that differ by approximately factor of two. Additionally, by pinpointing the Au-induced surface states in the first, second, and third surface Brillouin zones and analyzing their periodicity in k||, the nanowire propagation direction seen clearly in STM can be imported into the ARPES data. We find that the larger of the two hopping parameters corresponds, in fact, to the direction perpendicular to the nanowires (tperp). This proves that the Au-induced electron pockets possess a two-dimensional, closed Fermi surface, and this firmly places the Au/Ge(100) nanowire system outside potential hosts of a Tomonaga-Luttinger liquid. We combine these ARPES data with scanning tunneling spectroscopic measurements of the spatially resolved electronic structure and find that the spatially straight—wirelike—conduction channels observed up to energies of order one electron volt below the Fermi level do not originate from the Au-induced states seen in the ARPES data. The former are rather more likely to be associated with bulk Ge states that are localized to the subsurface region. Despite our proof of the 2D (two-dimentional) nature of the Au

  14. Observation of ferromagnetic and antiferromagnetic coupling in 1-D and 2-D extended structures of copper(II) terephthalates

    SciTech Connect

    Deakin, L.; Arif, A.M.; Miller, J.S.

    1999-11-01

    The reaction between CuCl{sub 2}{center{underscore}dot}2H{sub 2}O and disodium terephthalate, Na{sub 2}tp, in aqueous solution simultaneously produces chain, bis(aqua)[{mu}-(terephthalato-{kappa}O:{kappa}O{prime})]copper(II), monohydrate, Cutp(OH{sub 2}){sub 2}{center{underscore}dot}H{sub 2}O (1), and layered, bis(aqua)[{mu}-(terephthalato-{kappa}O)]copper(II), Cutp(OH{sub 2}){sub 2} (2), structured materials. 1 (C{sub 8}H{sub 10}CuO{sub 7}) belongs to the orthorhombic P2{sub 1}2{sub 1}2 space group [a = 6.3015(4) {angstrom}, b = 6.8743(4) {angstrom}, c = 22.9972(14) {angstrom}, and Z = 4] and incorporates tp in a bridging bis-monodentate binding mode and Cu(II) in a tetragonally elongated octahedron. 2 (C{sub 8}H{sub 10}CuO{sub 6}) which belongs to the orthorhombic Pmc2{sub 1} space group [a = 10.7421(8) {angstrom}, b = 7.2339(10) {angstrom}, c = 5.7143(13) {angstrom}, and Z = 2] incorporates tp in a mono-bidentate binding mode and Cu(II) in a distorted square pyramid. 1 and 2 exhibit axial X-band powder EPR spectra with G{sub {perpendicular}} = 2.08, g{sub {parallel}} = 2.29 (1) and g{sub {perpendicular}} = 2.07, g{sub {parallel}} = 2.29 (2) at 300 K. 1 obeys the Curie-Weiss law at high temperatures ({theta} = {minus}7.2 K) and at low temperatures behaves as 1-D magnetic chains with an exchange-coupling constant of J/k{sub B} = {minus}9.15 K (H = {minus}2JS{sub 1}{center{underscore}dot}S{sub 2}). This material displays a spontaneous moment below 2 K under small applied magnetic fields, consistent with the presence of spin canting. 2 exhibits ferromagnetic interactions with {theta} = +0.8 K. Along the 1-D chain where coordinated water forms the bridge between metal centers, the coupling between Cu(II) is J/k{sub B} = +0.6 K. The fit of the magnetic susceptibility for 2 using a molecular field correction, which takes into consideration antiferromagnetic interactions between chains via the tp ligand, yields J{prime}/k{sub B} = {minus}0.13 K.

  15. Residue-Specific Structural Kinetics of Proteins through the Union of Isotope Labeling, Mid-IR Pulse Shaping, and Coherent 2D IR Spectroscopy

    PubMed Central

    Middleton, Chris T.; Woys, Ann Marie; Mukherjee, Sudipta S.; Zanni, Martin T.

    2010-01-01

    We describe a methodology for studying protein kinetics using a rapid-scan technology for collecting 2D IR spectra. In conjunction with isotope labeling, 2D IR spectroscopy is able to probe the secondary structure and environment of individual residues in polypeptides and proteins. It is particularly useful for membrane and aggregate proteins. Our rapid-scan technology relies on a mid-IR pulse shaper that computer generates the pulse shapes, much like in an NMR spectrometer. With this device, data collection is faster, easier, and more accurate. We describe our 2D IR spectrometer, as well as protocols for 13C=18O isotope labeling, and then illustrate the technique with an application to the aggregation of the human islet amyloid polypeptide form type 2 diabetes. PMID:20472067

  16. Discrimination of adulterated milk based on two-dimensional correlation spectroscopy (2D-COS) combined with kernel orthogonal projection to latent structure (K-OPLS).

    PubMed

    Yang, Renjie; Liu, Rong; Xu, Kexin; Yang, Yanrong

    2013-12-01

    A new method for discrimination analysis of adulterated milk and pure milk is proposed by combining two-dimensional correlation spectroscopy (2D-COS) with kernel orthogonal projection to latent structure (K-OPLS). Three adulteration types of milk with urea, melamine, and glucose were prepared, respectively. The synchronous 2D spectra of adulterated milk and pure milk samples were calculated. Based on the characteristics of 2D correlation spectra of adulterated milk and pure milk, a discriminant model of urea-tainted milk, melamine-tainted milk, glucose-tainted milk, and pure milk was built by K-OPLS. The classification accuracy rates of unknown samples were 85.7, 92.3, 100, and 87.5%, respectively. The results show that this method has great potential in the rapid discrimination analysis of adulterated milk and pure milk.

  17. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    DOE PAGES

    Brodney, Michael A.; Beck, Elizabeth M.; Butler, Christopher R.; ...

    2015-03-17

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Here in this paper, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, wemore » solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.« less

  18. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    SciTech Connect

    Brodney, Michael A.; Beck, Elizabeth M.; Butler, Christopher R.; Barreiro, Gabriela; Johnson, Eric F.; Riddell, David; Parris, Kevin; Nolan, Charles E.; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E.; Doran, Shawn D.; Bundesmann, Mark W.; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N.; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C.; Ogilvie, Kevin; Price, Loren; Sakya, Subas M.; Yu, Aijia; Zhang, Yong; O’Neill, Brian T.

    2015-03-17

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Here in this paper, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.

  19. Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.

    PubMed

    Brodney, Michael A; Beck, Elizabeth M; Butler, Christopher R; Barreiro, Gabriela; Johnson, Eric F; Riddell, David; Parris, Kevin; Nolan, Charles E; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E; Doran, Shawn D; Bundesmann, Mark W; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C; Ogilvie, Kevin; Price, Loren; Sakya, Subas M; Yu, Aijia; Zhang, Yong; O'Neill, Brian T

    2015-04-09

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer's disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug-drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.

  20. 2D modeling of DC potential structures induced by RF sheaths with transverse currents in front of ICRF antenna

    SciTech Connect

    Faudot, E.; Heuraux, S.; Colas, L.

    2005-09-26

    Understanding DC potential generation in front of ICRF antennas is crucial for long pulse high RF power systems. DC potentials are produced by sheath rectification of these RF potentials. To reach this goal, near RF parallel electric fields have to be computed in 3D and integrated along open magnetic field lines to yield a 2D RF potential map in a transverse plane. DC potentials are produced by sheath rectification of these RF potentials. As RF potentials are spatially inhomogeneous, transverse polarization currents are created, modifying RF and DC maps. Such modifications are quantified on a 'test map' having initially a Gaussian shape and assuming that the map remains Gaussian near its summit,the time behavior of the peak can be estimated analytically in presence of polarization current as a function of its width r0 and amplitude {phi}0 (normalized to a characteristic length for transverse transport and to the local temperature). A 'peaking factor' is built from the DC peak potential normalized to {phi}0, and validated with a 2D fluid code and a 2D PIC code (XOOPIC). In an unexpected way transverse currents can increase this factor. Realistic situations of a Tore Supra antenna are also studied, with self-consistent near fields provided by ICANT code. Basic processes will be detailed and an evaluation of the 'peaking factor' for ITER will be presented for a given configuration.

  1. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  2. Device convolution effects on the collective scattering signal of the E Multiplication-Sign B mode from Hall thruster experiments: 2D dispersion relation

    SciTech Connect

    Cavalier, J.; Lemoine, N.; Bonhomme, G.; Tsikata, S.; Honore, C.; Gresillon, D.

    2012-08-15

    The effect of the collective light scattering diagnostic transfer function is considered in the context of the dispersion relation of the unstable E Multiplication-Sign B mode previously reported. This transfer function is found to have a contribution to the measured frequencies and mode amplitudes which is more or less significant depending on the measurement wavenumbers and angles. After deconvolution, the experimental data are found to be possibly compatible with the idea that the mode frequency in the jet frame (after subtraction of the Doppler effect due to the plasma motion along the thruster axis) is independent of the orientation of the wave vector in the plane orthogonal to the local magnetic field.

  3. Two 2D Cd(II) coordination polymers based on asymmetrical Schiff-base ligand: synthesis, crystal structures and luminescent properties.

    PubMed

    Dang, Dong-Bin; Li, Meng-Meng; Bai, Yan; Zhou, Rui-Min

    2013-02-15

    Two new two-dimensional coordination polymers [Cd(3)L(2)(SCN)(6)](n) (1) and [CdLI(2)](n) (2) have been synthesized and characterized by IR spectroscopy, elemental analysis, TG technique, XRPD and complete single crystal structure analysis, where L is 4-(pyridine-2-yl)methyleneamino-1,2,4-trizaole. Asymmetrical Schiff-base ligand L with five- and six-membered N-containing heterocyclic rings acts as a tridentate bridging ligand to bind two Cd(II) centers through one terminal N(triazolyl) and one pyridylimine chelate unit in 1 and 2. For polymer 1, tridentate bridging ligands link Cd-(1,3-μ-SCN(-)) 1D inorganic chains to form a 2D layer network. The existence of C-H···π and π-π stacking interactions between 2D hybrid layers further gives rise to a 3D supramolecular network. In comparison with 1, polymer 2 shows a 2D layer network containing hexanuclear macrometallacyclic units. The 2D layers are staggered together through the combination of C-H···π and π-π stacking interactions and forming a 3D supramolecular structure. The luminescent properties of the polymers 1 and 2 were investigated in the solid state at room temperature.

  4. Isolation and structural and pharmacological characterization of α-elapitoxin-Dpp2d, an amidated three finger toxin from black mamba venom.

    PubMed

    Wang, Ching-I Anderson; Reeks, Timothy; Vetter, Irina; Vergara, Irene; Kovtun, Oleksiy; Lewis, Richard J; Alewood, Paul F; Durek, Thomas

    2014-06-17

    We isolated a novel, atypical long-chain three-finger toxin (TFT), α-elapitoxin-Dpp2d (α-EPTX-Dpp2d), from black mamba (Dendroaspis polylepis polylepis) venom. Proteolytic digestion with trypsin and V8 protease, together with MS/MS de novo sequencing, indicated that the mature toxin has an amidated C-terminal arginine, a posttranslational modification rarely observed for snake TFTs. α-EPTX-Dpp2d was found to potently inhibit α7 neuronal nicotinic acetylcholine receptors (nAChR; IC₅₀, 58 ± 24 nM) and muscle-type nAChR (IC₅₀, 114 ± 37 nM) but did not affect α3β2 and α3β4 nAChR isoforms at 1 μM concentrations. Competitive radioligand binding assays demonstrated that α-EPTX-Dpp2d competes with epibatidine binding to the Lymnea stagnalis acetylcholine-binding protein (Ls-AChBP; IC₅₀, 4.9 ± 2.3 nM). The activity profile and binding data are reminiscent of classical long-chain TFTs with a free carboxyl termini, suggesting that amidation does not significantly affect toxin selectivity. The crystal structure of α-EPTX-Dpp2d was determined at 1.7 Å resolution and displayed a dimeric toxin assembly with each monomer positioned in an antiparallel orientation. The dimeric structure is stabilized by extensive intermolecular hydrogen bonds and electrostatic interactions, which raised the possibility that the toxin may exist as a noncovalent homodimer in solution. However, chemical cross-linking and size-exclusion chromatography coupled with multiangle laser light scattering (MALLS) data indicated that the toxin is predominantly monomeric under physiological conditions. Because of its high potency and selectivity, we expect this toxin to be a valuable pharmacological tool for studying the structure and function of nAChRs.

  5. revealing H{sub 2}D{sup +} depletion and compact structure in starless and protostellar cores with ALMA

    SciTech Connect

    Friesen, R. K.; Di Francesco, J.; Bourke, T. L.; Caselli, P.; Jørgensen, J. K.; Pineda, J. E.; Wong, M.

    2014-12-10

    We present Atacama Large Millimeter/submillimeter Array (ALMA) observations of the submillimeter dust continuum and H{sub 2}D{sup +} 1{sub 10}-1{sub 11} emission toward two evolved, potentially protostellar cores within the Ophiuchus molecular cloud, Oph A SM1 and SM1N. The data reveal small-scale condensations within both cores, with mass upper limits of M ≲ 0.02 M {sub ☉} (∼20 M {sub Jup}). The SM1 condensation is consistent with a nearly symmetric Gaussian source with a width of only 37 AU. The SM1N condensation is elongated and extends 500 AU along its major axis. No evidence for substructure is seen in either source. A Jeans analysis indicates that these sources are unlikely to fragment, suggesting that both will form single stars. H{sub 2}D{sup +} is only detected toward SM1N, offset from the continuum peak by ∼150-200 AU. This offset may be due to either heating from an undetected, young, low-luminosity protostellar source or first hydrostatic core, or HD (and consequently H{sub 2}D{sup +}) depletion in the cold center of the condensation. We propose that SM1 is protostellar and that the condensation detected by ALMA is a warm (T ∼ 30-50 K) accretion disk. The less concentrated emission of the SM1N condensation suggests that it is still starless, but we cannot rule out the presence of a low-luminosity source, perhaps surrounded by a pseudodisk. These data observationally reveal the earliest stages of the formation of circumstellar accretion regions and agree with theoretical predictions that disk formation can occur very early in the star formation process, coeval with or just after the formation of a first hydrostatic core or protostar.

  6. Hamiltonian structure of Dubrovin{close_quote}s equation of associativity in 2-d topological field theory

    SciTech Connect

    Galvao, C.A.; Nutku, Y.

    1996-12-01

    mA third order Monge-Amp{grave e}re type equation of associativity that Dubrovin has obtained in 2-d topological field theory is formulated in terms of a variational principle subject to second class constraints. Using Dirac{close_quote}s theory of constraints this degenerate Lagrangian system is cast into Hamiltonian form and the Hamiltonian operator is obtained from the Dirac bracket. There is a new type of Kac-Moody algebra that corresponds to this Hamiltonian operator. In particular, it is not a W-algebra. {copyright} {ital 1996 American Institute of Physics.}

  7. Synthesis and structure of a 2D → 3D framework with coexistence of hydrogen bonds and polythreading character

    SciTech Connect

    Zhang, Ming-Dao Zhuang, Qi-Fan; Xu, Jing; Cao, Hui

    2015-12-15

    The title complex, ([Co(BPPA)(5-OH-bdc)] · (H{sub 2}O)){sub n} was prepared under hydrothermal conditions based on two ligands, namely, bis(4-(pyridin-4-yl)phenyl)amine (BPPA) and 5-hydroxyisophthalic acid (5-OH-H{sub 2}bdc). 5-OH-bdc{sup 2–} anions coordinated to Co atoms to give layers in crystal. BPPA ligands coordinate to Co atoms and thread into the adjacent layers. There are hydrogen bonds between adjacent layers, giving rise to a 2D → 3D framework.

  8. Edge-localized mode avoidance and pedestal structure in I-mode plasmasa)

    NASA Astrophysics Data System (ADS)

    Walk, J. R.; Hughes, J. W.; Hubbard, A. E.; Terry, J. L.; Whyte, D. G.; White, A. E.; Baek, S. G.; Reinke, M. L.; Theiler, C.; Churchill, R. M.; Rice, J. E.; Snyder, P. B.; Osborne, T.; Dominguez, A.; Cziegler, I.

    2014-05-01

    I-mode is a high-performance tokamak regime characterized by the formation of a temperature pedestal and enhanced energy confinement, without an accompanying density pedestal or drop in particle and impurity transport. I-mode operation appears to have naturally occurring suppression of large Edge-Localized Modes (ELMs) in addition to its highly favorable scalings of pedestal structure and overall performance. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Analysis of I-mode discharges prepared with high-resolution pedestal data from the most recent C-Mod campaign reveals favorable pedestal scalings for extrapolation to large machines—pedestal temperature scales strongly with power per particle Pnet/n ¯e, and likewise pedestal pressure scales as the net heating power (consistent with weak degradation of confinement with heating power). Matched discharges in current, field, and shaping demonstrate the decoupling of energy and particle transport in I-mode, increasing fueling to span nearly a factor of two in density while maintaining matched temperature pedestals with consistent levels of Pnet/n ¯e. This is consistent with targets for increased performance in I-mode, elevating pedestal βp and global performance with matched increases in density and heating power. MHD calculations using the ELITE code indicate that I-mode pedestals are strongly stable to edge peeling-ballooning instabilities. Likewise, numerical modeling of the KBM turbulence onset, as well as scalings of the pedestal width with poloidal beta, indicates that I-mode pedestals are not limited by KBM turbulence—both features identified with the trigger for large ELMs, consistent with the observed suppression of

  9. Synthesizing 2D and 3D Selenidostannates in Ionic Liquids: The Synergistic Structure-Directing Effects of Ionic Liquids and Metal-Amine Complexes.

    PubMed

    Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Huang, Xiao-Ying

    2016-05-20

    Presented are the ionothermal syntheses, characterizations, and properties of a series of two- and three-dimensional selenidostannate compounds synergistically directed by metal-amine complex (MAC) cations and ionic liquids (ILs) of [Bmmim]Cl (Bmmim=1-butyl-2,3-dimethylimidazolium). Four selenidostannates, namely, 2D-(Bmmim)3 [Ni(en)3 ]2 [Sn9 Se21 ]Cl (1, en=ethylenediamine), 2D-(Bmmim)8 [Ni2 (teta)2 (μ-teta)]Sn18 Se42 (2, teta=triethylenetetramine), 2D-(Bmmim)4 [Ni(tepa)Cl]2 [Ni(tepa)Sn12 Se28 ] (3, tepa=tetraethylenepentamine), and 3D-(Bmmim)2 [Ni(1,2-pda)3 ]Sn8 Se18 (4, 1,2-pda=1,2-diaminopropane), were obtained. Single-crystal X-ray diffraction analyses revealed that compounds 1 and 2 possess a lamellar anionic [Sn3 Se7 ]n (2n-) structure comprising distinct eight-membered ring units, whereas 3 features a MAC-decorated anionic [Ni(tepa)Sn12 Se28 ]n (6n-) layered structure. In contrast to 1-3, compound 4 exhibits a 3D open framework of anionic [Sn4 Se9 ]n (2n-) . The structural variation from 1 to 4 clearly indicates that on the basis of the synergistic structure-directing ability of the MACs and ILs, variation of the organic polyamine ligand has a significant impact on the formation of selenidostannates.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations

    PubMed Central

    Yan, Chang; Yuan, Rongfeng; Pfalzgraff, William C.; Nishida, Jun; Wang, Lu; Markland, Thomas E.; Fayer, Michael D.

    2016-01-01

    Functionalized self-assembled monolayers (SAMs) are the focus of ongoing investigations because they can be chemically tuned to control their structure and dynamics for a wide variety of applications, including electrochemistry, catalysis, and as models of biological interfaces. Here we combine reflection 2D infrared vibrational echo spectroscopy (R-2D IR) and molecular dynamics simulations to determine the relationship between the structures of functionalized alkanethiol SAMs on gold surfaces and their underlying molecular motions on timescales of tens to hundreds of picoseconds. We find that at higher head group density, the monolayers have more disorder in the alkyl chain packing and faster dynamics. The dynamics of alkanethiol SAMs on gold are much slower than the dynamics of alkylsiloxane SAMs on silica. Using the simulations, we assess how the different molecular motions of the alkyl chain monolayers give rise to the dynamics observed in the experiments. PMID:27044113

  12. Structures and Luminescent Properties of Two 2D Coordination Polymers Containing Tb(III) or Dy(III) Ions.

    PubMed

    An, Xiaoping; Wang, Hongsheng; Li, Gongchun

    2014-03-01

    Two 2D rare earth terbium and dysprosium coordination polymers with 2,4-pyridinedicarboxylate and oxalate anions have been synthesized by hydrothermal method, the formula is {[RE(pda)(ox)0.5(H2O)4]·2H2O}n (RE = Tb (1) and Dy (2); H2pda = 2,4-pyridinedicarboxylic acid; ox = oxalate anion). The two complexes are isomorphic and crystallized in monoclinic system, P21/c space group. Each pda anion connects two rare earth ions with 2- carboxyl group and the nitrogen atom but the 4- carboxyl group does not coordinate with rare earth ions. Each ox anion connects two rare earth ions by μ 2-bridge way. Both the complexes exhibit intense characteristic luminescence of Tb(III) or Dy(III) ion with excitation of UV-rays.

  13. From 2D graphene to 1D graphene nanoribbons: dimensional crossover signals in the structural thermal fluctuations

    NASA Astrophysics Data System (ADS)

    Dobry, Ariel; Costamagna, Sebastián

    2011-03-01

    I this work, by analyzing the thermal excited rippling in the graphene honeycomb lattice, we find clear signals of an existing dimensional crossover from 2D to 1D while reducing one of the dimensions of the graphene layer. Trough a joint study, using montecarlo atomistic simulations and analytical calculation based, we find that the normal-normal correlation function G (q) does not change the power law behavior valid on the long wavelength limit, however the system size dependency of the quadratic out of plane displacement h2 shows a breakdown of its corresponding scaling law. In this case we show that a new scaling law appear which correspond to a truly 1D system. On the basis of these results, and having explored a wide number of realistic systems size, we conclude that narrow nanoribbons presents strongest corrugations than the square graphene sheets. This result could have important consequences on the electron transport properties of freestanding graphene systems.

  14. A Structure-Activity Relationship Study of Imidazole-5-Carboxylic Acid Derivatives as Angiotensin II Receptor Antagonists Combining 2D and 3D QSAR Methods.

    PubMed

    Sharma, Mukesh C

    2016-03-01

    Two-dimensional (2D) and three-dimensional (3D) quantitative structure-activity relationship (QSAR) studies were performed for correlating the chemical composition of imidazole-5-carboxylic acid analogs and their angiotensin II [Formula: see text] receptor antagonist activity using partial least squares and k-nearest neighbor, respectively. For comparing the three different feature selection methods of 2D-QSAR, k-nearest neighbor models were used in conjunction with simulated annealing (SA), genetic algorithm and stepwise coupled with partial least square (PLS) showed variation in biological activity. The statistically significant best 2D-QSAR model having good predictive ability with statistical values of [Formula: see text] and [Formula: see text] was developed by SA-partial least square with the descriptors like [Formula: see text]count, 5Chain count, SdsCHE-index, and H-acceptor count, showing that increase in the values of these descriptors is beneficial to the activity. The 3D-QSAR studies were performed using the SA-PLS. A leave-one-out cross-validated correlation coefficient [Formula: see text] and predicate activity [Formula: see text] = 0.7226 were obtained. The information rendered by QSAR models may lead to a better understanding of structural requirements of substituted imidazole-5-carboxylic acid derivatives and also aid in designing novel potent antihypertensive molecules.

  15. Monitoring guanidinium-induced structural changes in ribonuclease proteins using Raman spectroscopy and 2D correlation analysis.

    PubMed

    Brewster, Victoria L; Ashton, Lorna; Goodacre, Royston

    2013-04-02

    Assessing the stability of proteins by comparing their unfolding profiles is a very important characterization and quality control step for any biopharmaceutical, and this is usually measured by fluorescence spectroscopy. In this paper we propose Raman spectroscopy as a rapid, noninvasive alternative analytical method and we shall show this has enhanced sensitivity and can therefore reveal very subtle protein conformational changes that are not observed with fluorescence measurements. Raman spectroscopy is a powerful nondestructive method that has a strong history of applications in protein characterization. In this work we describe how Raman microscopy can be used as a fast and reliable method of tracking protein unfolding in the presence of a chemical denaturant. We have compared Raman spectroscopic data to the equivalent samples analyzed using fluorescence spectroscopy in order to validate the Raman approach. Calculations from both Raman and fluorescence unfolding curves of [D]50 values and Gibbs free energy correlate well with each other and more importantly agree with the values found in the literature for these proteins. In addition, 2D correlation analysis has been performed on both Raman and fluorescence data sets in order to allow further comparisons of the unfolding behavior indicated by each method. As many biopharmaceuticals are glycosylated in order to be functional, we compare the unfolding profiles of a protein (RNase A) and a glycoprotein (RNase B) as measured by Raman spectroscopy and discuss the implications that glycosylation has on the stability of the protein.

  16. ELM Suppression and Pedestal Structure in I-Mode Plasmas

    NASA Astrophysics Data System (ADS)

    Walk, John

    2013-10-01

    The I-mode regime is characterized by the formation of a temperature pedestal and enhanced energy confinement (H98 up to 1.2), without an accompanying density pedestal or drop in particle transport. Unlike ELMy H-modes, I-mode operation appears to have naturally-occurring suppression of large ELMs in addition to its highly favorable scalings of pedestal structure (and therefore overall performance). Instead, continuous Weakly Coherent Modes help to regulate density. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Peeling-ballooning MHD calculations are completed using the ELITE code, showing I-mode pedestals to be generally MHD-stable. Under certain conditions, intermittent ELMs are observed in I-mode at reduced field, typically triggered by sawtooth crashes; modification of the temperature pedestal (and therefore the pressure profile stability) by sawtooth heat pulses is being examined in ELITE. Modeled stability to KBM turbulence in I-mode and ELMy H-mode suggests that typical I-modes are stable against KBM turbulence. Measured I-mode pedestals are significantly wider (more stable) than the width scaling with the square root of poloidal beta characteristic of the KBM-limited pedestals in ELMy H-mode. Finally, we explore scalings of pedestal structure with engineering parameters compared to ELMy H-modes on C-Mod. In particular, we focus on scalings of the pressure pedestal with heating power (and its relation to the favorable scaling of confinement with power in I-mode) and on relationships between heat flux and pedestal temperature gradients. This work is supported by DOE agreement DE-FC02-99ER54512. Theory work at General Atomics is supported by DOE agreement DE-FG02-99ER54309.

  17. Self-assembly of alternating left- and right-handed infinite Cd(II) helicates into a 2D open framework structure

    NASA Astrophysics Data System (ADS)

    Ghosh, Sujit K.; Bharadwaj, Parimal K.

    2006-08-01

    Pyrazine-2,3,5,6-tetracarboxylic acid (ptcH 4) reacts with Cd(NO 3) 2·6H 2O at room temperature in the presence of pyridine to form a 2D open framework built from alternating left- and right-handed helicates with the empirical formula, {[Cd 2(ptc)·(py) 5·H 2O]·5H 2O·py} n, 1. Lattice water and pyridine molecules form an intricate array of H-bonding with the 2D sheets leading to a 3D structure. This compound crystallizes in the monoclinic space group C2/ c with the following lattice parameters— a=24.103(2), b=13.480(5), c=29.176(4) Å, β=109.427(3)°, V=8940(4) Å 3, Z=8, R1=0.0513, wR2=0.1552, S=1.085.

  18. New dicyano cyclometalated compounds containing Pd(II)-Tl(I) bonds as building blocks in 2D extended structures: synthesis, structure, and luminescence studies.

    PubMed

    Sicilia, Violeta; Forniés, Juan; Fuertes, Sara; Martín, Antonio

    2012-10-15

    New mixed metal complexes [PdTl(C^N)(CN)(2)] [C^N = 7,8-benzoquinolinate (bzq, 3); 2-phenylpyridinate (ppy, 4)] have been synthesized by reaction of their corresponding precursors (NBu(4))[Pd(C^N)(CN)(2)] [C^N = bzq (1), ppy (2)] with TlPF(6). Compounds 3 and 4 were studied by X-ray diffraction, showing the not-so-common Pd(II)-Tl(I) bonds. Both crystal structures exhibit 2-D extended networks fashioned by organometallic "PdTl(C^N)(CN)(2)" units, each one containing a donor-acceptor Pd(II)-Tl(I) bond, which are connected through additional Tl···N≡C contacts and weak Tl···π (bzq) contacts in the case of 3. Solid state emissions are red-shifted compared with those of the precursors and have been assigned to metal-metal'-to-ligand charge transfer (MM'LCT [d/s σ*(Pd,Tl) → π*(C^N)]) mixed with some intraligand ((3)IL[π(C^N) → π*(C^N)]) character. In diluted solution either at room temperature or 77 K, the Pd-Tl bond is no longer retained as confirmed by mass spectrometry, NMR, and UV-vis spectroscopic techniques.

  19. The inner structure of empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Wang, Yung-Hung; Young, Hsu-Wen Vincent; Lo, Men-Tzung

    2016-11-01

    The empirical mode decomposition (EMD) is a nonlinear method that is truly adaptive with good localization property in the time domain for analyzing non-stationary complex data. The EMD has been proven useful in a wide range of applications. However, due to the nonlinear and complex nature of the sifting process, the most essential step of the EMD, a firm mathematical foundation or a transparent physical description are still lacked for EMD. Here, we embark on constructing a mathematical theory of the sifting operator. We first show that the sifting operator can be expressed as the data plus the sum of the responses to the impulses (multiplied by the data value) at the extrema. Such an expression of the sifting operator is then used to investigate the adaptive nature and the localizing effect of the EMD. Alternatively, the sifting operator can also be represented by a sifting matrix, which depends nonlinearly on the extrema distribution. Based on the eigen-decomposition of the sifting matrix, the transfer function of the sifting process is analyzed. Finally we answer what an intrinsic mode function (IMF) is from the wave perspective by exploring the physical basis of the IMFs.

  20. Geometric Bioinspired Networks for Recognition of 2-D and 3-D Low-Level Structures and Transformations.

    PubMed

    Bayro-Corrochano, Eduardo; Vazquez-Santacruz, Eduardo; Moya-Sanchez, Eduardo; Castillo-Munis, Efrain

    2016-10-01

    This paper presents the design of radial basis function geometric bioinspired networks and their applications. Until now, the design of neural networks has been inspired by the biological models of neural networks but mostly using vector calculus and linear algebra. However, these designs have never shown the role of geometric computing. The question is how biological neural networks handle complex geometric representations involving Lie group operations like rotations. Even though the actual artificial neural networks are biologically inspired, they are just models which cannot reproduce a plausible biological process. Until now researchers have not shown how, using these models, one can incorporate them into the processing of geometric computing. Here, for the first time in the artificial neural networks domain, we address this issue by designing a kind of geometric RBF using the geometric algebra framework. As a result, using our artificial networks, we show how geometric computing can be carried out by the artificial neural networks. Such geometric neural networks have a great potential in robot vision. This is the most important aspect of this contribution to propose artificial geometric neural networks for challenging tasks in perception and action. In our experimental analysis, we show the applicability of our geometric designs, and present interesting experiments using 2-D data of real images and 3-D screw axis data. In general, our models should be used to process different types of inputs, such as visual cues, touch (texture, elasticity, temperature), taste, and sound. One important task of a perception-action system is to fuse a variety of cues coming from the environment and relate them via a sensor-motor manifold with motor modules to carry out diverse reasoned actions.

  1. Simultaneous expansion and orthogonalization of measured modes for structure identification

    NASA Technical Reports Server (NTRS)

    Smith, Suzanne Weaver; Beattie, Christopher A.

    1990-01-01

    Tests of large structures on-orbit will be performed with measurements at a relatively few structure points. Values for the unmeasured degrees of freedom (dofs) can be estimated based on measured dofs and analytical model dynamic information. These 'expanded' mode shapes are useful for optimal-update identification and damage location as well as test/analysis correlation. A new method of expansion for test mode shape vectors is developed from the orthogonal Procrustes problem from computational linear algebra. A subspace defined by the set of measured dofs is compared to a subspace defined by mode shapes from an analytical model of the structure. The method simultaneously expands and orthogonalizes the mode shape vectors. Two demonstration problems are used to compare the new method to current expansion techniques. One demonstration uses test data from a laboratory scale-model truss structure. Performance of the new method is comparable or superior to that of the previous expansion methods which require separate orthogonalization.

  2. Adaptive Control of Flexible Structures Using Residual Mode Filters

    NASA Technical Reports Server (NTRS)

    Balas, Mark J.; Frost, Susan

    2010-01-01

    Flexible structures containing a large number of modes can benefit from adaptive control techniques which are well suited to applications that have unknown modeling parameters and poorly known operating conditions. In this paper, we focus on a direct adaptive control approach that has been extended to handle adaptive rejection of persistent disturbances. We extend our adaptive control theory to accommodate troublesome modal subsystems of a plant that might inhibit the adaptive controller. In some cases the plant does not satisfy the requirements of Almost Strict Positive Realness. Instead, there maybe be a modal subsystem that inhibits this property. This section will present new results for our adaptive control theory. We will modify the adaptive controller with a Residual Mode Filter (RMF) to compensate for the troublesome modal subsystem, or the Q modes. Here we present the theory for adaptive controllers modified by RMFs, with attention to the issue of disturbances propagating through the Q modes. We apply the theoretical results to a flexible structure example to illustrate the behavior with and without the residual mode filter. We have proposed a modified adaptive controller with a residual mode filter. The RMF is used to accommodate troublesome modes in the system that might otherwise inhibit the adaptive controller, in particular the ASPR condition. This new theory accounts for leakage of the disturbance term into the Q modes. A simple three-mode example shows that the RMF can restore stability to an otherwise unstable adaptively controlled system. This is done without modifying the adaptive controller design.

  3. Mode shape identification using residues of measured offshore structure data

    NASA Astrophysics Data System (ADS)

    Wang, Chao; Liu, Fushun; Lu, Hongchao

    2017-04-01

    Compared to traditional mode shape identification methods such as eigensystem realization algorithm (ERA), this article proposes a mode shape identification method based on estimated residues of measured data and the theoretical relationship between the estimated residues and the mode shapes from the state space model is obtained by defining a coefficient matrix. A mass-spring model with five degrees of freedom (DOFs) is utilized to demonstrate the approach. The numerical results indicate that the estimated residues are the mode shapes of structures, but with a coefficient matrix to maintain consistency with the mode shapes from the ERA. Using MATLAB a complicated numerical jacket platform is built to further study the proposed method. The results show that mode shapes consistent with those from the ERA could be obtained by taking the defined coefficient matrix into account, which is also demonstrated by a physical beam model that was built at Ocean University of China.

  4. Structure-Activity Relationships and Pharmacophore Model of a Non-Competitive Pyrazoline Containing Class of GluN2C/GluN2D Selective Antagonists

    PubMed Central

    Acker, Timothy M.; Khatri, Alpa; Vance, Katie M.; Slabber, Cathryn; Bacsa, John; Snyder, James P.; Traynelis, Stephen F.; Liotta, Dennis C.

    2013-01-01

    Here we describe the synthesis and structure-activity relationship for a class of pyrazoline-containing dihydroquinolone negative allosteric modulators of the NMDA receptor that show strong subunit-selectivity for GluN2C- and GluN2D-containing receptors over GluN2A-and GluN2B-containing receptors. Several members of this class inhibit NMDA receptor responses in the nanomolar range, and are more than 50-fold selective over GluN1/GluN2A and GluN1/GluN2B NMDA receptors, as well as AMPA, kainate, GABA, glycine, nicotinic, serotonin, and purinergic receptors. Analysis of the purified enantiomers of one of the more potent and selective compounds shows that the S-enantiomer is both more potent and more selective than the R-enantiomer. The S-enantiomer had an IC50 value of 0.17–0.22 µM at GluN2D- and GluN2C-containing receptors, respectively, and showed over 70-fold selectivity over other NMDA receptor subunits. The subunit-selectivity of this class of compounds should be useful in defining the role of GluN2C- and GluN2D-containing receptors in specific brain circuits in both physiological and patho-physiological conditions. PMID:23909910

  5. Modeling and Analysis of Granite Matrix Pore Structure and Hydraulic Characteristics in 2D and 3D Networks

    NASA Astrophysics Data System (ADS)

    Gvozdik, L.; Polak, M.; Zaruba, J.; Vanecek, M.

    2010-12-01

    A geological environment labeled as a Granite massif represents in terms of groundwater flow and transport a distinct hydrogeological environment from that of sedimentary basins, the characterisation of which is generally more complex and uncertain. Massifs are composed of hard crystalline rocks with the very low effective porosity. Due to their rheological properties such rocks are predisposed to brittle deformation resulting from changes in stress conditions. Our specific research project (Research on the influence of intergrangular porosity on deep geological disposal: geological formations, methodology and the development of measurement apparatus) is focussed on the problem of permeable zones within apparently undisturbed granitic rock matrix. The project including the both laboratory and in-situ tracer tests study migration along and through mineral grains in fresh and altered granite. The objective of the project is to assess whether intergranular porosity is a general characteristic of the granitic rock matrix or subject to significant evolution resulting from geochemical and/or hydrogeochemical processes, geotechnical and/or mechanical processes. Moreover, the research is focussed on evaluating methods quantifying intergranular porosity by both physical testing and mathematical modelling using verified standard hydrological software tools. Groundwater flow in microfractures and intergranular pores in granite rock matrix were simulated in three standard hydrogeological modeling programs with completely different conceptual approaches: MODFLOW (Equivalent Continuum concept), FEFLOW (Discrete Fracture and Equivalent Continuum concepts) and NAPSAC (Discrete Fracture Network concept). Specialized random fracture generators were used for creation of several 2D and 3D models in each of the chosen program. Percolation characteristics of these models were tested and analyzed. Several scenarios of laboratory tests of the rock samples permeability made in triaxial

  6. Molecular phylogenetics in 2D: ITS2 rRNA evolution and sequence-structure barcode from Veneridae to Bivalvia.

    PubMed

    Salvi, Daniele; Mariottini, Paolo

    2012-11-01

    In this study, we analyzed the nuclear ITS2 rRNA primary sequence and secondary structure in Veneridae and comparatively with 20 Bivalvia taxa to test the phylogenetic resolution of this marker and its suitability for molecular diagnosis at different taxonomic levels. Maximum likelihood and Bayesian trees based on primary sequences were congruent with (profile-) neighbor-joining trees based on a combined model of sequence-structure evolution. ITS2 showed higher resolution below the subfamily level, providing a phylogenetic signal comparable to (mitochondrial/nuclear) gene fragments 2-5 times longer. Structural elements of the ITS2 folding, such as specific mismatch pairing and compensatory base changes, provided further support for the monophyly of some groups and for their phylogenetic relationships. Veneridae ITS2 folding is structured in six domains (DI-VI) and shows five striking sequence-structure features. Two of them, the Basal and Apical STEMs, are common to Bivalvia, while the presence of both the Branched STEM and the Y/R stretches occurs in five superfamilies of the two Heterodonta orders Myoida and Veneroida, thus questioning their reciprocal monophyly. Our results validated the ITS2 as a suitable marker for venerids phylogenetics and taxonomy, and underlined the significance of including secondary structure information for both applications at several systematic levels within bivalves.

  7. Self-assembly of 2D sandwich-structured MnFe{sub 2}O{sub 4}/graphene composites for high-performance lithium storage

    SciTech Connect

    Li, Songmei 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.

  8. Band structure of a 2D photonic crystal based on ferrofluids of Co(1-x)Znx Fe2O4 nanoparticles under perpendicular applied magnetic field

    NASA Astrophysics Data System (ADS)

    Lopez, Javier; Gonzalez, Luz Esther; Quinonez, Mario; Porras, Nelson; Zambrano, Gustavo; Gomez, Maria Elena

    2014-03-01

    Using a ferrfluid of cobalt-zinc ferrite nanoparticles Co(1 - x)ZnxFe2O4 coated with oleic acid and suspended in ethanol, we have fabricated a 2D photonic crystal (PC) by the application of an external magnetic field perpendicular to the plane of the ferrofluid. The 2D PC is made by rods of nanoparticles organized in a hexagonal structure. By means of the plane-wave expansion method, we study its photonic band structure (PBS) which depends on the effective permittivity and on the area ratio of the liquid phase. Additionaly, taking into account the Maxwell-Garnett theory we calculated the effective permittivity of the rods. We have found that the effective refractive index of the ferrofluid increases with its magnetization. Using these results we calculate the band structure of the photonic crystal at different applied magnetic fields, finding that the increase of the applied magnetic field shifts the band structure to lower frequencies with the appearance of more band gaps. Departamento de Física, Universidad del Valle, A.A. 25360, Cali, Colombia

  9. Strict dual-mode large-mode-area fiber with multicore structure

    NASA Astrophysics Data System (ADS)

    Jin, Wenxing; Ren, Guobin; Jian, Wei; Jiang, Youchao; Wu, Yue; Yang, Yuguang; Shen, Ya; Jian, Shuisheng

    2016-05-01

    In this paper, we proposed a new kind of quasi-37-cores fiber structure consisting of 15 conventional cores and 22 air-hole cores. Strict dual-mode condition is systematically analyzed about three structure parameters, core-to-core pitch, relative core diameter, and difference of refractive index between core and cladding. Large effective area about 1910.98 μm2 with low bending loss less than 10-3 dB / m is achieved while keeping strict dual-mode. This structured fiber has a great potential in high power fiber lasers and amplifiers.

  10. Hydrophobic cluster analysis: procedures to derive structural and functional information from 2-D-representation of protein sequences.

    PubMed

    Lemesle-Varloot, L; Henrissat, B; Gaboriaud, C; Bissery, V; Morgat, A; Mornon, J P

    1990-08-01

    Hydrophobic cluster analysis (HCA) [15] is a very efficient method to analyse and compare protein sequences. Despite its effectiveness, this method is not widely used because it relies in part on the experience and training of the user. In this article, detailed guidelines as to the use of HCA are presented and include discussions on: the definition of the hydrophobic clusters and their relationships with secondary and tertiary structures; the length of the clusters; the amino acid classification used for HCA; the HCA plot programs; and the working strategies. Various procedures for the analysis of a single sequence are presented: structural segmentation, structural domains and secondary structure evaluation. Like most sequence analysis methods, HCA is more efficient when several homologous sequences are compared. Procedures for the detection and alignment of distantly related proteins by HCA are described through several published examples along with 2 previously unreported cases: the beta-glucosidase from Ruminococcus albus is clearly related to the beta-glucosidases from Clostridum thermocellum and Hansenula anomala although they display a reverse organization of their constitutive domains; the alignment of the sequence of human GTPase activating protein with that of the Crk oncogene is presented. Finally, the pertinence of HCA in the identification of important residues for structure/function as well as in the preparation of homology modelling is discussed.

  11. Self-assembly of polydimethylsiloxane structures from 2D to 3D for bio-hybrid actuation.

    PubMed

    Vannozzi, L; Ricotti, L; Cianchetti, M; Bearzi, C; Gargioli, C; Rizzi, R; Dario, P; Menciassi, A

    2015-08-20

    This work aims to demonstrate the feasibility of a novel approach for the development of 3D self-assembled polydimethylsiloxane structures, to be used as engineered flexible matrices for bio-hybrid actuation. We described the fabrication of engineered bilayers, organized in a 3D architecture by means of a stress-induced rolling membrane technique. Such structures were provided with ad hoc surface topographies, for both cell alignment and cell survival after membrane rolling. We reported the results of advanced finite element model simulations, predicting the system behavior in terms of overall contraction, induced by the contractile activity of muscle cells seeded on the membrane. Then, we tested in vitro the structure with primary cardiomyocytes to evaluate the real bio-actuator contraction, thus validating the simulation results. At a later stage, we provided the samples with a stable fibronectin coating, by covalently binding the protein on the polymer surface, thus enabling long-term cultures with C2C12 skeletal muscle cells, a more controllable cell type. These tests revealed cell viability and alignment on the rolled structures, but also the ability of cells to differentiate and to form multinucleated and oriented myotubes on the polymer surface, also supported by a fibroblast feeder layer. Our results highlighted the possibility of developing 3D rolled PDMS structures, characterized by different mechanical properties, as novel bio-hybrid actuators.

  12. Edge-localized mode avoidance and pedestal structure in I-mode plasmas

    SciTech Connect

    Walk, J. R. Hughes, J. W.; Hubbard, A. E.; Terry, J. L.; Whyte, D. G.; White, A. E.; Baek, S. G.; Reinke, M. L.; Theiler, C.; Churchill, R. M.; Rice, J. E.; Snyder, P. B.; Osborne, T.; Dominguez, A; Cziegler, I.

    2014-05-15

    I-mode is a high-performance tokamak regime characterized by the formation of a temperature pedestal and enhanced energy confinement, without an accompanying density pedestal or drop in particle and impurity transport. I-mode operation appears to have naturally occurring suppression of large Edge-Localized Modes (ELMs) in addition to its highly favorable scalings of pedestal structure and overall performance. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Analysis of I-mode discharges prepared with high-resolution pedestal data from the most recent C-Mod campaign reveals favorable pedestal scalings for extrapolation to large machines—pedestal temperature scales strongly with power per particle P{sub net}/n{sup ¯}{sub e}, and likewise pedestal pressure scales as the net heating power (consistent with weak degradation of confinement with heating power). Matched discharges in current, field, and shaping demonstrate the decoupling of energy and particle transport in I-mode, increasing fueling to span nearly a factor of two in density while maintaining matched temperature pedestals with consistent levels of P{sub net}/n{sup ¯}{sub e}. This is consistent with targets for increased performance in I-mode, elevating pedestal β{sub p} and global performance with matched increases in density and heating power. MHD calculations using the ELITE code indicate that I-mode pedestals are strongly stable to edge peeling-ballooning instabilities. Likewise, numerical modeling of the KBM turbulence onset, as well as scalings of the pedestal width with poloidal beta, indicates that I-mode pedestals are not limited by KBM turbulence—both features identified with the trigger for large ELMs

  13. Investigation of mechanical strength of 2D nanoscale structures using a molecular dynamics based computational intelligence approach

    NASA Astrophysics Data System (ADS)

    Garg, A.; Vijayaraghavan, V.; Wong, C. H.; Tai, K.; Singru, Pravin M.; Mahapatra, S. S.; Sangwan, K. S.

    2015-09-01

    A molecular dynamics (MD) based computational intelligence (CI) approach is proposed to investigate the Young modulus of two graphene sheets: Armchair and Zigzag. In this approach, the effect of aspect ratio, the temperature, the number of atomic planes and the vacancy defects on the Young modulus of two graphene sheets are first analyzed using the MD simulation. The data obtained using the MD simulation is then fed into the paradigm of a CI cluster comprising of genetic programming, which was specifically designed to formulate the explicit relationship of Young modulus of two graphene structures. We find that the MD-based-CI model is able to model the Young modulus of two graphene structures very well, which compiles in good agreement with that of experimental results obtained from the literature. Additionally, we also conducted sensitivity and parametric analysis and found that the number of defects has the most dominating influence on the Young modulus of two graphene structures.

  14. LOW-Tg Bismuth Phosphate Glasses for Glass-Imprinting and Fabrication of 2d Sub-Wavelength Structure

    NASA Astrophysics Data System (ADS)

    Kitamura, Naoyuki; Fukumi, Kohei; Nakamura, Junichi; Hidaka, Tatsuo; Ikeda, Takurou; Hashima, Hidekazu; Nishii, Junji

    We have developed zinc-bismuth-phosphate glasses, which have deformation temperatures under 450°C and refractive indices higher than 1.7, in order to produce an antireflection structure on the surface by a glass-imprinting process. Two-dimensionally arrayed conical cavities of sub-wavelength size were fabricated on a SiC mold by electron lithography and dry etching techniques. The sub-wavelength periodic structure was transferred onto the glass surface by a glass-imprinting process using the mold. The sub-wavelength structure suppressed the reflectance by approximately 90%. A weak maximum was observed in the reflection spectra around 400-500 nm, which decreased in intensity and shifted toward shorter wavelengths with decreasing pitch.

  15. Temporal changes of the structure of a loamy soil tilled layers as described by 2D Electrical Resistivity Tomography

    NASA Astrophysics Data System (ADS)

    Besson, Arlène; Seger, Maud; Richard, Guy; Nicoullaud, Bernard; Giot, Guillaume; Cousin, Isabelle

    2010-05-01

    The soil structure is complex, heterogeneous, space and time scale dependent, submitted to the climate, biological activity and human practices. For instance, in agricultural context, when soil management practices aim at developing desirable soil conditions for a seedbed and establishing specific surface configuration for planting, drainage or harvesting operations, they can also induce soil structural disturbances, as compaction resulting on in-field wheel traffic. These intense soil degradations have a drastic impact on soil functioning and plant growth but are not absolutely irreversible. Indeed, earthworm's activity, root growth and climate improve the soil structure by cracking, by developing voids, channels, by a progressive fragmentation and disaggregation of the initial dense matrix. Despite this natural structural resilience process of soils is well known, its empirical evidence at the macroscopic scale remains challenging. This requires a well detailed characterization of structural components in space and time. The objective of this study was to monitor the structural changes of a loamy tilled layer initially compacted locally by wheel traffic. In the field, two zones were analysed: (1) a bare soil in view of describing mainly the impact of the climate on the soil structure and (2) a cultivated soil in view of describing the cumulative effect of the climate and root growth on the soil structure. For both, the non destructive and exhaustive method of Electrical Resistivity Tomography (ERT) has been used to monitor the structural changes from April to August, i.e. during the complete growing season. In addition, the interpretation of ERT was comforted by several visual descriptions of soil structure, realized on soil pits dug at the same location than the ERT profiles and by bulk density measurements from soil samples. Due to their high impact on electrical resistivity, water content and soil temperature were also monitored during the experiment. The

  16. A Double-Structure Structural Equation Model for Three-Mode Data

    ERIC Educational Resources Information Center

    Gonzalez, Jorge; De Boeck, Paul; Tuerlinckx, Francis

    2008-01-01

    Structural equation models are commonly used to analyze 2-mode data sets, in which a set of objects is measured on a set of variables. The underlying structure within the object mode is evaluated using latent variables, which are measured by indicators coming from the variable mode. Additionally, when the objects are measured under different…

  17. Controls on the Flow Regime and Thermal Structure of the Subduction Zone Mantle Wedge: A Systematic 2-D and 3-D Investigation

    NASA Astrophysics Data System (ADS)

    Le Voci, Giuseppe; Davies, Rhodri; Goes, Saskia; Kramer, Stephan; Wilson, Cian

    2014-05-01

    Arc volcanism at subduction zones is likely regulated by the mantle wedge's flow regime and thermal structure and, hence, numerous studies have attempted to quantify the principal controls on mantle wedge conditions. Here, we build on these previous studies by undertaking the first systematic 2-D and 3-D numerical investigation, across a wide parameter-space, into how hydration and thermal buoyancy influence the wedge's flow regime and associated thermal structure, above a kinematically driven subducting plate. We find that small-scale convection (SSC), resulting from Rayleigh-Taylor instabilities, or drips, off the base of the overriding lithosphere, is a typical occurrence, if: (i) viscosities are < 5×1018 Pa s; and (ii) hydrous weakening of wedge rheology extends at least 100-150 km from the trench. In 2-D models, instabilities generally take the form of 'drips'. Although along-strike averages of wedge velocities and temperature in 3-D structure are consistent with those in 2-D, fluctuations are larger in 3-D. Furthermore, in 3-D, two separate, but interacting, longitudinal Richter roll systems form (with their axes aligned perpendicular to the trench), the first below the arc region and the second below the back-arc region. These instabilities result in transient and spatial temperature fluctuations of 100-150K, which are sufficient to influence melting, the stability of hydrous minerals and the dehydration of crustal material. Furthermore, they are efficient at eroding the overriding lithosphere, particularly in 3-D and, thus, provide a means to explain observations of high heat flow and thin back-arc lithosphere at many subduction zones, if back-arc mantle is hydrated.

  18. System requirements specification for SMART structures mode

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Specified here are the functional and informational requirements for software modules which address the geometric and data modeling needs of the aerospace structural engineer. The modules are to be included as part of the Solid Modeling Aerospace Research Tool (SMART) package developed for the Vehicle Analysis Branch (VAB) at the NASA Langley Research Center (LaRC). The purpose is to precisely state what the SMART Structures modules will do, without consideration of how it will be done. Each requirement is numbered for reference in development and testing.

  19. Deep crustal structure of magma-rich passive margin as revealed by the Northeast GreenlandSPAN 2D seismic survey and airborne Full Tensor Gradiometry

    NASA Astrophysics Data System (ADS)

    Mazur, Stanislaw; Rippington, Stephen; Silva, Mercia; Houghton, Phill; Helwig, Jim

    2014-05-01

    The objective of our project was to integrate the results from the Northeast GreenlandSPAN™ 2D seismic survey with newly acquired airborne Full Tensor Gradiometry (FTG) and Magnetic potential field data over the Danmarkshaven Ridge area, NE Greenland. The potential field data were constrained by 32 long offset pre stack depth migrated seismic profiles selected from the Northeast GreenlandSPAN™ survey. The results provide a new insight in the deep crustal architecture of the Greenland passive margin. They also shed a new light on crustal-scale deformation and igneous activity in a magma-rich continental margin. The structural data set is based on the integrated interpretation of 2D seismic data and FTG data, which was further supplemented by the airborne magnetic data plus the gravity and magnetic shipborne data. 2D gravity and magnetic forward modelling was used for testing geological/seismic models against the potential field data. A regional Moho grid derived from 3D gravity inversion was as a starting point and reference for the 2D modelling. The resultant horizons from the 2D potential fields models were subsequently gridded to help create a 3D structural model. The computed residual signal from the 3D model, the difference between the observed gravity and the forward calculated model response, allowed the accuracy of the structural interpretation to be tested. The area is dominated by three structural trends: (1) N-S to NNE-SSW, (2) WNW-ESE, and (3) NW-SE. The first trend is represented by Early Cretaceous normal faults defining the Danmarkshaven Ridge whereas the second set of structures corresponds to the WNW-ESE oriented right-lateral strike slip faults. The third structural trend is delineated by the NW-SE oriented Greenland Fracture Zone (GFZ). Importantly, a distinct step in the COB suggests post-break-up reactivation of the GFZ with left-lateral kinematics. There is a good match between the modelled Moho and the GFZ suggesting its continuation

  20. Sparsity-based Ankylography for Recovering 3D molecular structures from single-shot 2D scattered light intensity

    PubMed Central

    Mutzafi, Maor; Shechtman, Yoav; Eldar, Yonina C.; Cohen, Oren; Segev, Mordechai

    2015-01-01

    Deciphering the three-dimensional (3D) structure of complex molecules is of major importance, typically accomplished with X-ray crystallography. Unfortunately, many important molecules cannot be crystallized, hence their 3D structure is unknown. Ankylography presents an alternative, relying on scattering an ultrashort X-ray pulse off a single molecule before it disintegrates, measuring the far-field intensity on a two-dimensional surface, followed by computation. However, significant information is absent due to lower dimensionality of the measurements and the inability to measure the phase. Recent Ankylography experiments attracted much interest, but it was counter-argued that Ankylography is valid only for objects containing a small number of volume pixels. Here, we propose a sparsity-based approach to reconstruct the 3D structure of molecules. Sparsity is natural for Ankylography, because molecules can be represented compactly in stoichiometric basis. Utilizing sparsity, we surpass current limits on recoverable information by orders of magnitude, paving the way for deciphering the 3D structure of macromolecules. PMID:26289358

  1. Effects of complex internal structures on rheology of multiple emulsions particles in 2D from a boundary integral method.

    PubMed

    Wang, Jingtao; Liu, Jinxia; Han, Junjie; Guan, Jing

    2013-02-08

    A boundary integral method is developed to investigate the effects of inner droplets and asymmetry of internal structures on rheology of two-dimensional multiple emulsion particles with arbitrary numbers of layers and droplets within each layer. Under a modest extensional flow, the number increment of layers and inner droplets, and the collision among inner droplets subject the particle to stronger shears. In addition, the coalescence or release of inner droplets changes the internal structure of the multiple emulsion particles. Since the rheology of such particles is sensitive to internal structures and their change, modeling them as the core-shell particles to obtain the viscosity equation of a single particle should be modified by introducing the time-dependable volume fraction Φ(t) of the core instead of the fixed Φ. An asymmetric internal structure induces an oriented contact and merging of the outer and inner interface. The start time of the interface merging is controlled by adjusting the viscosity ratio and enhancing the asymmetry, which is promising in the controlled release of inner droplets through hydrodynamics for targeted drug delivery.

  2. 3D and 2D structural characterization of 1D Al/Al2 O3 biphasic nanostructures.

    PubMed

    Miró, M Martinez; Veith, M; Lee, J; Soldera, F; Mücklich, F; Bennewitz, R; Aktas, C

    2015-05-01

    1D Al/Al2 O3 nanostructures have been synthesized by chemical vapour deposition (CVD) of the molecular precursor [(t) BuOAlH2 ]2 . The deposited nanostructures grow chaotically on the substrate forming a layer with a high porosity (80%). Depending on the deposition time, diverse nanostructured surfaces with different distribution densities were achieved. A three-dimensional (3D) reconstruction has been evaluated for every nanostructure density using the Focus Ion Beam (FIB) tomography technique and reconstruction software tools. Several structural parameters such as porosity, Euler number, geometrical tortuosity and aspect ratio have been quantified through the analysis with specified software of the reconstructions. Additionally roughness of the prepared surfaces has been characterized at micro- and nanoscale using profilometry and AFM techniques, respectively. While high aspects ratio around 20-30 indicates a strong anisotropy in the structure, high porosity values (around 80%) is observed as a consequence of highly tangled geometry of such 1D nanostructures.

  3. Elucidating structural characteristics of biomass using solution-state 2 D NMR with a mixture of deuterated dimethylsulfoxide and hexamethylphosphoramide

    DOE PAGES

    Pu, Yunqiao; Ragauskas, Arthur J.; Yoo, Chang Geun; ...

    2016-04-26

    In recent developments of NMR methods for characterization of lignocellulosic biomass allow improved understanding of plant cell-wall structures with minimal deconstruction and modification of biomass. This study introduces a new NMR solvent system composed of dimethylsulfoxide (DMSO-d6) and hexamethylphosphoramide (HMPA-d18). HMPA as a co-solvent enhanced swelling and mobility of the biomass samples; thereby it allowed enhancing signals of NMR spectra. Moreover, the structural information of biomass was successfully analyzed by the proposed NMR solvent system (DMSO-d6/HMPA-d18; 4:1, v/v) with different biomass. The proposed bi-solvent system does not require derivatization or isolation of biomass, facilitating a facile sample preparation and involvingmore » with no signals overlapping with biomass peaks. Furthermore, it also allows analyzing biomass with a room-temperature NMR probe instead of cryo-probes, which are traditionally used for enhancing signal intensities.« less

  4. Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide.

    PubMed

    Lessing, Joshua; Roy, Santanu; Reppert, Mike; Baer, Marcel; Marx, Dominik; Jansen, Thomas La Cour; Knoester, Jasper; Tokmakoff, Andrei

    2012-03-21

    The peptide amide-I vibration of a proline turn encodes information on the turn structure. In this study, FTIR, two-dimensional IR spectroscopy and molecular dynamics simulations were employed to characterize the varying turn conformations that exist in the GVGX(L)PGVG family of disordered peptides. This analysis revealed that changing the size of the side chain at the X amino acid site from Gly to Ala to Val substantially alters the conformation of the peptide. To quantify this effect, proline peak shifts and intensity changes were compared to a structure-based spectroscopic model. These simulated spectra were used to assign the population of type-II β turns, bulged turns, and irregular β turns for each peptide. Of particular interest was the Val variant commonly found in the protein elastin, which contained a 25% population of irregular β turns containing two peptide hydrogen bonds to the proline C═O.

  5. 2D 31P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7

    NASA Astrophysics Data System (ADS)

    Benndorf, Christopher; Hohmann, Andrea; Schmidt, Peer; Eckert, Hellmut; Johrendt, Dirk; Schäfer, Konrad; Pöttgen, Rainer

    2016-03-01

    Phase pure polycrystalline PbP7 was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published 31P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the 31P chemical shift and structural parameters. PbP7 decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP7 as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s2 lone pairs in the electron localization function ELF.

  6. From 1D and 2D ZnO nanostructures to 3D hierarchical structures with enhanced gas sensing properties.

    PubMed

    Alenezi, Mohammad R; Henley, Simon J; Emerson, Neil G; Silva, S Ravi P

    2014-01-07

    Facile and low cost hydrothermal routes are developed to fabricate three-dimensional (3D) hierarchical ZnO structures with high surface-to-volume ratios and an increased fraction of (0001) polar surfaces. Hierarchical ZnO nanowires (ZNWs) and nanodisks (ZNDs) assembled from initial ZnO nanostructures are prepared from sequential nucleation and growth following a hydrothermal process. These hierarchical ZnO structures display an enhancement of gas sensing performance and exhibit significantly improved sensitivity and fast response to acetone in comparison to other mono-morphological ZnO, such as nanoparticles, NWs, or NDs. In addition to the high surface-to-volume ratio due to its small size, the nanowire building blocks show the enhanced gas sensing properties mainly ascribed to the increased proportion of exposed active (0001) planes, and the formation of many nanojunctions at the interface between the initial ZnO nanostructure and secondary NWs. This work provides the route for structure induced enhancement of gas sensing performance by designing a desirable nanostructure, which could also be extended to synthesize other metal oxide nanostructures with superior gas sensing performance.

  7. Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy.

    PubMed

    Tu, Qing; Lange, Björn; Parlak, Zehra; Lopes, Joao Marcelo J; Blum, Volker; Zauscher, Stefan

    2016-07-26

    Interfaces and subsurface layers are critical for the performance of devices made of 2D materials and heterostructures. Facile, nondestructive, and quantitative ways to characterize the structure of atomically thin, layered materials are thus essential to ensure control of the resultant properties. Here, we show that contact-resonance atomic force microscopy-which is exquisitely sensitive to stiffness changes that arise from even a single atomic layer of a van der Waals-adhered material-is a powerful experimental tool to address this challenge. A combined density functional theory and continuum modeling approach is introduced that yields sub-surface-sensitive, nanomechanical fingerprints associated with specific, well-defined structure models of individual surface domains. Where such models are known, this information can be correlated with experimentally obtained contact-resonance frequency maps to reveal the (sub)surface structure of different domains on the sample.

  8. Light scattering from acoustic vibrational modes in confined structures

    NASA Astrophysics Data System (ADS)

    Bandhu, Rudra Shyam

    The acoustic vibrational modes and their light scattering intensities in confined structures such as supported films, double layer free-standing membrane and sub-micron sized wires on a free-standing membrane have been studied using Brillouin Light Scattering (BLS). Standing wave type acoustic phonons were recently observed in supported thin films of silicon oxy-nitride. We build upon this finding to study the acoustic modes in thin zinc selenide (ZnSe) films on gallium arsenide (GaAs). The surprising behaviour of the Brillouin intensities of the standing wave modes in ZnSe are explained in terms of interference of the elasto-optic scattering amplitudes from the film and substrate. Numerical calculations of the scattering cross-section, which takes into account ripple and elasto-optic scattering mechanism, agrees well with the experimental data. Light scattering studies of standing wave type modes in free-standing polymethyl methacrylate (PMMA) layer on Si3N4 were carried out. In these bilayer structures PMMA is much softer than Si3N 4, a property that leads to confinement of low frequency modes associated with the PMMA layer to within its boundaries. In addition, the flexural and the dilatational modes from the Si3N4 layer are observed and are found to hybridize with the standing wave modes from the PMMA layer. Our study of phonon modes in PMMA wires supported on a free-standing Si3N4 membrane extends our work on free-standing double layer membranes. In recent years there is much interest in the study of phonon modes in nano-scale structures such as wires or dots. Although much theoretical work has been carried out in this direction, no experiments exist that explore the dispersion of the phonon modes in such structures. Brillouin Light scattering is ideally suited for studying phonons in such reduced dimensions and our work represents the first effort in this direction. The spectra reveal modes which are quantized both along the width, as well along the thickness

  9. Femtosecond resolution of soft mode dynamics in structural phase transitions

    NASA Technical Reports Server (NTRS)

    Dougherty, Thomas P.; Wiederrecht, Gary P.; Nelson, Keith A.; Garrett, Mark H.; Jensen, Hans P.; Warde, Cardinal

    1992-01-01

    The microscopic pathway along which ions or molecules in a crystal move during structural phase transition can often be described in terms of a collective vibrational mode of the lattice. In many cases, this mode, called a 'soft' phonon mode because of its characteristically low frequency near the phase transition temperature, is difficult to characterize through conventional frequency-domain spectroscopies such as light or neutron scattering. A femtosecond time-domain analog of light-scattering spectroscopy called impulsive stimulated Raman scattering (ISRS) has been used to examine the soft modes of two perovskite ferroelectric crystals. The low-frequency lattice dynamics of KNbO3 and BaTiO3 are clarified in a manner that permits critical evaluation of microscopic models for their ferroelectric transitions. The results illustrate the advantages of ISRS over conventional Raman spectroscopy of low-frequency, heavily damped soft modes.

  10. Global Failure Modes in Composite Structures

    NASA Technical Reports Server (NTRS)

    Knauss, W. G.; Gonzalez, Luis

    2001-01-01

    Composite materials provide well-known advantages for space and aeronautical applications in terms of strength and rigidity to weight ratios and other mechanical properties. As a consequence, their use has experienced a constant increase in the past decades and it is anticipated that this trend will be maintained in the near future. At the same time, being these materials relatively new compared to metals, and having failure characteristics completely different from them, their damage growth and their failure mechanisms are not as well understood in a predictive sense. For example, while in metals fracture produces "clean" cracks with their well defined analytically stress fields at the crack tip, composite fracture is a more complex phenomenon. Instead of a crack, we confront a "damage zone" that may include fiber breakage, fiber microbuckling, fiber pullout, matrix cracking, delamination, debonding or any combination of all these different mechanisms. These phenomena are prevalent in any failure process through an aircraft structure, whether one addresses a global failure such as the ripping of a fuselage or wing section, or whether one is concerned with the failure initiation near a thickness change at stringers or other reinforcement. Thus the topic that has been under consideration has wide application in any real structure and is considered an essential contribution to the predictive failure analysis capability for aircraft containing composite components. The heterogeneity and the anisotropy of composites are not only advantageous but essential characteristics, yet these same features provide complex stress fields, especially in the presence of geometrical discontinuities such as notches, holes or cutouts or structural elements such as stiffeners, stringers, etc. To properly address the interaction between a damage/crack front and a hole with a stringer it is imperative that the stress and deformation fields of the former be (sufficiently well) characterized

  11. Sensitivity analysis of the non-linear dynamic viscoplastic response of 2-d structures with respect to material parameters

    NASA Technical Reports Server (NTRS)

    Kulkarni, Makarand; Noor, Ahmed K.

    1995-01-01

    A computational procedure is presented for evaluating the sensitivity coefficients of the viscoplastic response of structures subjected to dynamic loading. A state of plane stress is assumed to exist in the structure, a velocity strain-Cauchy stress formulation is used, and the geometric non-linearities arising from large strains are incorporated. The Jaumann rate is used as a frame indifferent stress rate. The material model is chosen to be isothermal viscoplasticity, and an associated flow rule is used with a von Mises effective stress. The equations of motion emanating from a finite element semi-discretization are integrated using an explicit central difference scheme with an implicit stress update. The sensitivity coefficients are evaluated using a direct differentiation approach. Since the domain of integration is the current configuration, the sensitivity coefficients of the spatial derivatives of the shape functions must be included. Numerical results are presented for a thin plate with a central cutout subjected to an in-plane compressive loading. The sensitivity coefficients are generated by evaluating the derivatives of the response quantities with respect to Young's modulus, and two of the material parameters characterizing the viscoplastic response. Time histories of the response and sensitivity coefficients, and spatial distributions at selected times are presented.

  12. Crystal structures and fluorescence properties of two 2D MnII/CdII trimellitic complexes containing terpyridine

    NASA Astrophysics Data System (ADS)

    Ren, Yixia; Chai, Hongmei; Hou, Xiangyang; Wang, Jijiang; Fu, Feng

    2015-12-01

    Hydrothermal reactions of manganese (II)/cadmium(II) salts with 1,2,4-trimellitic acid (H3tma) and 2,2‧:6‧,2-terpyridine (tpy) result in two novel complexes formulated with [M(Htma)(tpy)]·H2O (M = Mn(1) and Cd(2)). X-ray diffraction structural analyses of two complexes reveal they are isomorphic except for the different center metal ions and crystallize in the monoclinic crystal system of P(2)/n space group. The metal ion lies in a six-coordinated distorted octahedral environment coordinated with three Htma2- anions and one tpy ligand. There is an infinite two-dimensional rhombic network based on the metallic dimmers and Htma2- anions with the tpy ligands in void. Furthermore, the tpy ligands from the adjacent network weakly interact each other by π⋯π packing interactions into 3D supramolecular structure. The fluorescence properties could be assigned to the π - π* transition of organic ligands.

  13. Elucidating structural characteristics of biomass using solution-state 2 D NMR with a mixture of deuterated dimethylsulfoxide and hexamethylphosphoramide

    SciTech Connect

    Pu, Yunqiao; Ragauskas, Arthur J.; Yoo, Chang Geun; Li, Mi

    2016-04-26

    In recent developments of NMR methods for characterization of lignocellulosic biomass allow improved understanding of plant cell-wall structures with minimal deconstruction and modification of biomass. This study introduces a new NMR solvent system composed of dimethylsulfoxide (DMSO-d6) and hexamethylphosphoramide (HMPA-d18). HMPA as a co-solvent enhanced swelling and mobility of the biomass samples; thereby it allowed enhancing signals of NMR spectra. Moreover, the structural information of biomass was successfully analyzed by the proposed NMR solvent system (DMSO-d6/HMPA-d18; 4:1, v/v) with different biomass. The proposed bi-solvent system does not require derivatization or isolation of biomass, facilitating a facile sample preparation and involving with no signals overlapping with biomass peaks. Furthermore, it also allows analyzing biomass with a room-temperature NMR probe instead of cryo-probes, which are traditionally used for enhancing signal intensities.

  14. Facile synthesis of 2-D Cu doped WO3 nanoplates with structural, optical and differential anti cancer characteristics

    NASA Astrophysics Data System (ADS)

    Mehmood, Faisal; Iqbal, Javed; Gul, Asma; Ahmed, Waqqar; Ismail, M.

    2017-04-01

    Simple chemical co-precipitation method has been employed to synthesize two dimensional copper (Cu) doped tungsten oxide (WO3) nanoplates. A numbers of characterization techniques have been used to investigate their structural, optical and biocompatible anti cancer properties. The XRD results have confirmed the monoclinic crystal structure of WO3 nanoplates, and also successful doping of Cu ions into the WO3 crystal lattice. The presence of functional groups and chemical bonding have been verified through FTIR and Raman spectroscopy. The SEM images demonstrate that both undoped and Cu doped WO3 samples have squares plate like morphology. The EDX spectra confirm the presence of Cu, W and O ions. Diffuse reflectance spectroscopy (DRS) analysis has revealed a substantial red-shift in the absorption edge and a decrease in the band gap energy of nanoplates with Cu doping. Photoluminescence spectroscopy has been used to study the presence of defects like oxygen vacancies. Furthermore, the differential cytotoxic properties of Cu doped WO3 samples have been evaluated against human breast (MCF-7) and liver (Hep-2) cancer cells with ectocervical epithelial (HECE) healthy cells. The present findings confirm that the Cu doped WO3 nanoplates can be used as an efficient biocompatible anti cancer agent.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  16. Sound power radiation from a vibrating structure in terms of structure-dependent radiation modes

    NASA Astrophysics Data System (ADS)

    Ji, Lin; Bolton, J. Stuart

    2015-01-01

    As a good supplement of conventional acoustic radiation modes (a-modes), a set of so-called "structure-dependent radiation modes" (s-modes) is introduced to describe the sound power radiation from a vibrating structure. Differing from a-modes, s-modes are determined by not only the acoustic resistance matrix of the structure but also the frequency-independent normal modes of the structure. Such a new definition has the following main advantages over the conventional one: (1) it can reflect directly the influences of dynamic properties (e.g., boundary conditions) of the structures on its sound power radiation; (2) the number of s-modes generated is generally less than that of a-modes since the former depends on the number of structural modes involved in the vibration while the latter depends on the number of segmented elemental radiators of the structure, and consequently, the demand for large data storage can be greatly alleviated, especially for large structures and/or higher frequency vibrations; (3) the set of s-modes possesses a better convergence than that of a-modes because the higher ordered s-modes can decay more rapidly than the same ordered a-modes. Two baffled, finite, models, i.e., a simple beam and a thin plate, are employed to investigate numerically the acoustic properties of s-modes, and then compared with those of a-modes. It has been shown that the two sets of radiation modes share a very similar frequency-dependent behavior in that the radiation efficiency falls off very rapidly with increasing mode order at low frequency range (typically with kl<1). Meanwhile, the number of s-modes required to describe the total sound power radiation is found to be the same as that of a-modes. Consequently, an appropriate truncation of a-modes can be achieved by using the number of vibrational modes involved. Nevertheless, the odd-ordered (even-ordered) s-modes are found only associated with the odd-numbered (even-ordered) structural modes. In case of only few

  17. Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

    SciTech Connect

    Chien, Ellen Y.T.; Liu, Wei; Zhao, Qiang; Katritch, Vsevolod; Han, Gye Won; Hanson, Michael A.; Shi, Lei; Newman, Amy Hauck; Javitch, Jonathan A.; Cherezov, Vadim; Stevens, Raymond C.

    2010-11-30

    Dopamine modulates movement, cognition, and emotion through activation of dopamine G protein-coupled receptors in the brain. The crystal structure of the human dopamine D3 receptor (D3R) in complex with the small molecule D2R/D3R-specific antagonist eticlopride reveals important features of the ligand binding pocket and extracellular loops. On the intracellular side of the receptor, a locked conformation of the ionic lock and two distinctly different conformations of intracellular loop 2 are observed. Docking of R-22, a D3R-selective antagonist, reveals an extracellular extension of the eticlopride binding site that comprises a second binding pocket for the aryl amide of R-22, which differs between the highly homologous D2R and D3R. This difference provides direction to the design of D3R-selective agents for treating drug abuse and other neuropsychiatric indications.

  18. Probing the 2D temperature structure of protoplanetary disks with Herschel observations of high-J CO lines

    NASA Astrophysics Data System (ADS)

    Fedele, D.; van Dishoeck, E. F.; Kama, M.; Bruderer, S.; Hogerheijde, M. R.

    2016-06-01

    The gas temperature structure of protoplanetary disks is a key ingredient for interpreting various disk observations and for quantifying the subsequent evolution of these systems. The comparison of low- and mid-J CO rotational lines is a powerful tool for assessing the temperature gradient in the warm molecular layer of disks. Spectrally resolved high-J (Ju> 14) CO lines probe intermediate distances and heights from the star that are not sampled by (sub-)millimeter CO spectroscopy. This paper presents new Herschel/HIFI and archival PACS observations of 12CO, 13CO, and [C ii] emission in four Herbig AeBe disks (HD 100546, HD 97048, IRS 48, HD 163296) and three T Tauri disks (AS 205, S CrA, TW Hya). In the case of the T Tauri systems AS 205 and S CrA, the CO emission has a single-peaked profile, likely due to a slow wind. For all the other systems, the Herschel CO spectra are consistent with pure disk emission and the spectrally resolved lines (HIFI) and the CO rotational ladder (PACS) are analyzed simultaneously assuming power-law temperature and column density profiles, using the velocity profile to locate the emission in the disk. The temperature profile varies substantially from disk to disk. In particular, Tgas in the disk surface layers can differ by up to an order of magnitude among the four Herbig AeBe systems; HD 100546 is the hottest and HD 163296 the coldest disk in the sample. Clear evidence of a warm disk layer where Tgas>Tdust is found in all the Herbig Ae disks. The observed CO fluxes and line profiles are compared to predictions of physical-chemical models. The primary parameters affecting the disk temperature structure are the flaring angle, the gas-to-dust mass ratio, the scale height, and the dust settling.

  19. Calculation of structural dynamic forces and stresses using mode acceleration

    NASA Technical Reports Server (NTRS)

    Blelloch, Paul

    1989-01-01

    While the standard mode acceleration formulation in structural dynamics has often been interpreted to suggest that the reason for improved convergence obtainable is that the dynamic correction factor is divided by the modal frequencies-squared, an alternative formulation is presented which clearly indicates that the only difference between mode acceleration and mode displacement data recovery is the addition of a static correction term. Attention is given to the advantages in numerical implementation associated with this alternative, as well as to an illustrative example.

  20. Mode structure of planar optical antennas on dielectric substrates.

    PubMed

    Word, Robert C; Könenkamp, Rolf

    2016-08-08

    We report a numerical study, supported by photoemission electron microscopy (PEEM), of sub-micron planar optical antennas on transparent substrate. We find these antennas generate intricate near-field spatial field distributions with odd and even numbers of nodes. We show that the field distributions are primarily superpositions of planar surface plasmon polariton modes confined to the metal/substrate interface. The mode structure provides opportunities for coherent switching and optical control in sub-micron volumes.

  1. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect

    Chai, Feng; Chen, YiPing; You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)₃]₃[CoW₁₂O₄₀]·9H₂O 1 (phen=1,10-phenanthroline) and [Fe(phen)₃]₂[FeW₁₂O₄₀]·H₃O·H₂O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UV–DRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)₃]²⁺ cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 0–50 mT in the range of 600–1000 cm⁻¹, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: • Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. • Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. • Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  2. Crystal structure and antiferromagnetic ordering of quasi-2D [Cu(HF{sub 2})(pyz){sub 2}]TaF{sub 6} (pyz = pyrazine).

    SciTech Connect

    Manson, J. L.; Schlueter, J. A.; McDonald, R. D.; Singleton, J.; Materials Science Division; Eastern Washington Univ.; LANL

    2010-04-01

    The crystal structure of the title compound was determined by X-ray diffraction at 90 and 295 K. Copper(II) ions are coordinated to four bridging pyz ligands to form square layers in the ab-plane. Bridging HF{sub 2}{sup -} ligands join the layers together along the c-axis to afford a tetragonal, three-dimensional (3D) framework that contains Taf{sub 6}{sup -} anions in every cavity. At 295 K, the pyz rings lie exactly perpendicular to the layers and cooling to 90 K induces a canting of those rings. Magnetically, the compound exhibits 2D antiferromagnetic correlations within the 2D layers with an exchange interaction of -13.1(1) K. Weak interlayer interactions, as mediated by Cu-F-H-F-Cu, leads to long-range magnetic order below 4.2 K. Pulsed-field magnetization data at 0.5 K show a concave curvature with increasing B and reveal a saturation magnetization at 35.4 T.

  3. Momentum-resolved view of mixed 2D and nonbulklike 3D electronic structure of the surface state on SrTiO3 (001)

    NASA Astrophysics Data System (ADS)

    Plumb, N. C.; Salluzzo, M.; Razzoli, E.; Mansson, M.; Krempasky, J.; Matt, C. E.; Schmitt, T.; Shi, M.; Mesot, J.; Patthey, L.; Radovic, M.

    2014-03-01

    The recent discovery of a metallic surface state on SrTiO3 may open a route to simplified low-dimensional oxide-based conductors, as well as give new insights into interfacial phenomena in heterostructures such as LaAlO3/SrTiO3. Our recent angle-resolved photoemission spectroscopy (ARPES) study demonstrates that not only quasi-2D but also non-bulklike 3D Fermi surface components make up the surface state. Like their more 2D counterparts, the size and character of the 3D components are fixed with respect to a broad range of sample preparations. As seen in previous studies, the surface state can be ``prepared'' by photon irradiation under UHV conditions. An extremely high fraction of the surface valence states are affected by this process, especially in relation to the stability of oxygen core level intensity during the same exposure, which points to a key role of electronic/structural changes that spread over the surface as the metal emerges.

  4. An analysis of electrochemical energy storage using electrodes fabricated from atomically thin 2D structures of MoS2, graphene and MoS2/graphene composites

    NASA Astrophysics Data System (ADS)

    Huffstutler, Jacob D.

    The behavior of 2D materials has become of great interest in the wake of development of electrochemical double-layer capacitors (EDLCs) and the discovery of monolayer graphene by Geim and Novoselov. This study aims to analyze the response variance of 2D electrode materials for EDLCs prepared through the liquid-phase exfoliation method when subjected to differing conditions. Once exfoliated, samples are tested with a series of structural characterization methods, including tunneling electron microscopy, atomic force microscopy, Raman spectroscopy, and x-ray photoelectron spectroscopy. A new ionic liquid for EDLC use, 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate is compared in performance to 6M potassium hydroxide aqueous electrolyte. Devices composed of liquid-phase exfoliated graphene / MoS2 composites are analyzed by concentration for ideal performance. Device performance under cold extreme temperatures for the ionic fluid is presented as well. A brief overview of by-layer analysis of graphene electrode materials is presented as-is. All samples were tested with cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy, with good capacitive results. The evolution of electrochemical behavior through the altered parameters is tracked as well.

  5. Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.

    PubMed

    Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun

    2016-02-28

    Utilizing a series of positional isomers of tetrachlorinated benzenedicarboxylic acid ligands, seven La(iii)-based coordination polymers were solvothermally synthesized and structurally characterized. Their structural dimensionalities varying from 1D double chains, to the 2D 3,4,5-connected network, to 3D 6-connected pcu topological nets are only governed by the positions of carboxyl groups on the tetrachlorinated benzene ring. A comprehensive analysis and comparison reveals that the size of the carbonyl solvent molecules (DMF, DEF, DMA, and NMP) can affect the coordination geometries around the La(iii) ions, the coordination modes of carboxylate groups, the packing arrangements, and the void volumes of the overall crystal lattices. One as-synthesized framework further shows an unprecedented structural transformation from a 3D 6-connected network to a 3D 4,5-connected net through the dissolution and reformation pathway in water, suggesting that these easily hydrolyzed lanthanide complexes may serve as precursors to produce new high-dimensional frameworks. The bulk solvent-free melt polymerisation of glycolide utilizing these La(iii) complexes as initiators has been reported herein for the first time. All complexes were found to promote the polymerization of glycolide over a temperature range of 200 to 220 °C, producing poly(glycolic acid) (PGA) with a molecular weight up to 93,280. Under the same experimental conditions, the different catalytic activities for these complexes may result from their structural discrepancy.

  6. Simple synthesis of PbSe nanocrystals and their self-assembly into 2D ‘flakes’ and 1D ‘ribbons’ structures

    SciTech Connect

    Díaz-Torres, E.; Ortega-López, M.; Matsumoto, Y.; Santoyo-Salazar, J.

    2016-08-15

    Highlights: • PbSe is obtained in a simple way by the co-precipitation method at low-temperature. • The structural, morphological and optical properties of PbSe were studied. • Adding NH{sub 4}OH to the precursor solutions influences on the morphology. • 2D- and 1D-PbSe structures assemble by oriented attachment. • PbSe can be a potential candidate for thermoelectric applications. - Abstract: This work presents a simple and low-temperature method to prepare a variety of Lead selenide (PbSe) nanostructures, using aqueous solutions of Pb(NO{sub 3}){sub 2} and NaHSe. Nanostructures with different morphology were obtained by varying the Pb:Se molar ratio, as well as the mixing sequence of NH{sub 4}OH with either Pb(NO{sub 3}){sub 2} or NaHSe. Nanoparticles with different shapes (spherical and octahedral), and self-assembled structures (flakes and ribbons) were observed by Transmission Electron Microscopy. X-ray results confirmed that the PbSe rock-salt crystalline structure was obtained for all of the prepared samples. The crystal size is in the order of 7.3 to 8.9 nm for single nanocrystals. The absorption spectra of the samples show exciton absorption bands at 1395 nm and 1660 nm. This material could be used to develop more advanced structures for thermoelectric generators.

  7. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations.

    PubMed

    Wang, Tuo; Yang, Hui; Kubicki, James D; Hong, Mei

    2016-06-13

    The native cellulose of bacterial, algal, and animal origins has been well studied structurally using X-ray and neutron diffraction and solid-state NMR spectroscopy, and is known to consist of varying proportions of two allomorphs, Iα and Iβ, which differ in hydrogen bonding, chain packing, and local conformation. In comparison, cellulose structure in plant primary cell walls is much less understood because plant cellulose has lower crystallinity and extensive interactions with matrix polysaccharides. Here we have combined two-dimensional magic-angle-spinning (MAS) solid-state nuclear magnetic resonance (solid-state NMR) spectroscopy at high magnetic fields with density functional theory (DFT) calculations to obtain detailed information about the structural polymorphism and spatial distributions of plant primary-wall cellulose. 2D (13)C-(13)C correlation spectra of uniformly (13)C-labeled cell walls of several model plants resolved seven sets of cellulose chemical shifts. Among these, five sets (denoted a-e) belong to cellulose in the interior of the microfibril while two sets (f and g) can be assigned to surface cellulose. Importantly, most of the interior cellulose (13)C chemical shifts differ significantly from the (13)C chemical shifts of the Iα and Iβ allomorphs, indicating that plant primary-wall cellulose has different conformations, packing, and hydrogen bonding from celluloses of other organisms. 2D (13)C-(13)C correlation experiments with long mixing times and with water polarization transfer revealed the spatial distributions and matrix-polysaccharide interactions of these cellulose structures. Celluloses f and g are well mixed chains on the microfibril surface, celluloses a and b are interior chains that are in molecular contact with the surface chains, while cellulose c resides in the core of the microfibril, outside spin diffusion contact with the surface. Interestingly, cellulose d, whose chemical shifts differ most significantly from those of

  8. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

    PubMed Central

    Wang, Tuo; Yang, Hui; Kubicki, James D.; Hong, Mei

    2017-01-01

    The native cellulose of bacterial, algal, and animal origins has been well studied structurally using X-ray and neutron diffraction and solid-state NMR spectroscopy, and is known to consist of varying proportions of two allomorphs, Iα and Iβ, which differ in hydrogen bonding, chain packing, and local conformation. In comparison, cellulose structure in plant primary cell walls is much less understood because plant cellulose has lower crystallinity and extensive interactions with matrix polysaccharides. Here we have combined two-dimensional magic-angle-spinning (MAS) solid-state nuclear magnetic resonance (solid-state NMR) spectroscopy at high magnetic fields with density functional theory (DFT) calculations to obtain detailed information about the structural polymorphism and spatial distributions of plant primary-wall cellulose. 2D 13C-13C correlation spectra of uniformly 13C-labeled cell walls of several model plants resolved seven sets of cellulose chemical shifts. Among these, five sets (denoted a-e) belong to cellulose in the interior of the microfibril while two sets (f and g) can be assigned to surface cellulose. Importantly, most of the interior cellulose 13C chemical shifts differ significantly from the 13C chemical shifts of the Iα and Iβ allomorphs, indicating that plant primary-wall cellulose has different conformations, packing and hydrogen bonding from celluloses of other organisms. 2D 13C-13C correlation experiments with long mixing times and with water polarization transfer revealed the spatial distributions and matrix-polysaccharide interactions of these cellulose structures. Cellulose f and g are well mixed chains on the microfibril surface, cellulose a and b are interior chains that are in molecular contact with the surface chains, while cellulose c resides in the core of the microfibril, outside spin diffusion contact with the surface. Interestingly, cellulose d, whose chemical shifts differ most significantly from those of bacterial, algal

  9. Structural requirements of 3-carboxyl-4(1H)-quinolones as potential antimalarials from 2D and 3D QSAR analysis.

    PubMed

    Li, Jiazhong; Li, Shuyan; Bai, Chongliang; Liu, Huanxiang; Gramatica, Paola

    2013-07-01

    Malaria is a fatal tropical and subtropical disease caused by the protozoal species Plasmodium. Many commonly available antimalarial drugs and therapies are becoming ineffective because of the emergence of multidrug resistant Plasmodium falciparum, which drives the need for the development of new antimalarial drugs. Recently, a series of 3-carboxyl-4(1H)-quinolone analogs, derived from the famous compound endochin, were reported as promising candidates for orally efficacious antimalarials. In this study, to analyze the structure-activity relationships (SAR) of these quinolones and investigate the structural requirements for antimalarial activity, the 2D multiple linear regressions (MLR) method and 3D comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods are employed to evolve different QSAR models. All these models give satisfactory results with highly accurate fitting and strong external predictive abilities for chemicals not used in model development. Furthermore, the contour maps from 3D models can provide an intuitive understanding of the key structure features responsible for the antimalarial activities. In conclusion, we summarize the detailed position-specific structural requirements of these derivatives accordingly. All these results are helpful for the rational design of new compounds with higher antimalarial bioactivities.

  10. Self-assembly and morphology change of four organic-polyoxometalate hybrids with different solid structures from 2D lamellar to 3D hexagonal forms

    NASA Astrophysics Data System (ADS)

    TAN, Chunxia

    2017-02-01

    A series of organic-polyoxometalate hybrids L-EuW11, L-EuW10, L-EuW22 and L-Mo132 were fabricated by the same organic cations with different polyoxometalate anions from K5[Eu(SiW11O39)(H2O)2], K13[Eu(SiW11O39)2]·15H2O, Na9[EuW10O36]·36H2O to "Keplerate" -type (NH4)72[Mo132O372(SO4)30(H2O)72]. The structures of hybrids were characterized by elemental analysis, thermogravimetric analysis (TGA), infrared spectra (IR) and small-angle X-ray scattering (SAXS). Self-assembly behaviors and aggregates morphology of these hybrids in mixed solution of chloroform-methanol are obtained by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). L-EuW11, L-EuW10 and L-EuW22 have different aggregation morphology but the similarly layered structures. Micron-sized vesicular structures of L-Mo132 rupture in solvent and eventually turn into approximate hexagon. SAXS analysis of L-EuW11, L-EuW10 and L-EuW22 shows that these hybrids aggregates change from two-dimensional (2D) lamellar to three-dimensional (3D) hexagonal structure in solid state.

  11. A Simple Laser Teaching Aid for Transverse Mode Structure Demonstration

    ERIC Educational Resources Information Center

    Ren, Cheng; Zhang, Shulian

    2009-01-01

    A teaching aid for demonstrating the transverse mode structure in lasers is described. A novel device called "multi-dimension adjustable combined cat-eye reflector" has been constructed from easily available materials to form a He-Ne laser resonator. By finely adjusting the cat-eye, the boundary conditions of the laser cavity can be altered, which…

  12. Residual mode filters and adaptive control in large space structures

    NASA Technical Reports Server (NTRS)

    Davidson, Roger A.; Balas, Mark J.

    1989-01-01

    One of the most difficult problems in controlling large systems and structures is compensating for the destructive interaction which can occur between the reduced-order model (ROM) of the plant, which is used by the controller, and the unmodeled dynamics of the plant, often called the residual modes. The problem is more significant in the case of large space structures because their naturally light damping and high performance requirements lead to more frequent, destructive residual mode interaction (RMI). Using the design/compensation technique of residual mode filters (RMF's), effective compensation of RMI can be accomplished in a straightforward manner when using linear controllers. The use of RMF's has been shown to be effective for a variety of large structures, including a space-based laser and infinite dimensional systems. However, the dynamics of space structures is often uncertain and may even change over time due to on-orbit erosion from space debris and corrosive chemicals in the upper atmosphere. In this case, adaptive control can be extremely beneficial in meeting the performance requirements of the structure. Adaptive control for large structures is also based on ROM's and so destructive RMI may occur. Unfortunately, adaptive control is inherently nonlinear, and therefore the known results of RMF's cannot be applied. The purpose is to present the results of new research showing the effects of RMI when using adaptive control and the work which will hopefully lead to RMF compensation of this problem.

  13. Expansion and orthogonalization of measured modes for structure identification

    NASA Technical Reports Server (NTRS)

    Smith, Suzanne Weaver

    1989-01-01

    The purpose was to investigate a new simultaneous expansion/orthogonalization method in comparison with two previously published expansion methods and a widely used orthogonalization technique. Each expansion method uses data from an analytical model of the structure to complete the estimate of the mode shape vectors. Berman and Nagy used Guyan expansion in their work with improving analytical models. In this method, modes are expanded one at a time, producing a set not orthogonal with respect to the mass matrix. Baruch and Bar Itzhack's optimal orthogonalization procedure was used to subsequently adjust the expanded modes. A second expansion technique was presented by O'Callahan, Avitabile, and Reimer and separately by Kammer. Again, modes are expanded individually and orthogonalized after expansion with the same optimal technique as above. Finally, a simultaneous expansion/orthogonalization method was developed from the orthogonal Procrustes problem of computational mathematics. In this method modes are optimally expanded as a set and orthogonal with respect to the mass matrix as a result. Two demonstation problems were selected for the comparison of the methods described. The first problem is an 8 degree of freedom spring-mass problem first presented by Kabe. Several conditions were examined for expansion method including the presence of errors in the measured data and in the analysis models. As a second demonstration problem, data from tests of laboratory scale model truss structures was expanded for system identification. Tests with a complete structure produced a correlated analysis model and the stiffness and mass matrices. Tests of various damaged configurations produced measured data for 6 modes at 14 dof locations.

  14. HI Intensity Mapping: Parkes-2dFGRS and BAO science

    NASA Astrophysics Data System (ADS)

    Li, Yi-Chao; Staveley-Smith, Lister; Pen, Ue-Li; Chang, Tzu-Ching; Peterson, Jeff; Bandura, Kevin; Chen, Xuelei; Wang, Xin; Price, Danny; Montero-Castano, Maria; Anderson, Christopher; Voytek, Tabitha; Masui, Kiyoshi; Switzer, Eric; Wu, Feng-Quan; Timbie, Peter; Liao, Yu-Wei Victor; Li, zhigang

    2012-10-01

    We propose to scan the 2dF survey field with Parkes multibeam in driftscan mode to make a map of cosmological large scale structure. This allows a statistical detection of HI large scale structure out to z=0.15. In this cross correlation, the HI in ALL galaxies contributes, not only the bright ones, which significantly boosts the sensitivity.

  15. Evaluating the structural identifiability of the parameters of the EBPR sub-model in ASM2d by the differential algebra method.

    PubMed

    Zhang, Tian; Zhang, Daijun; Li, Zhenliang; Cai, Qing

    2010-05-01

    The calibration of ASMs is a prerequisite for their application to simulation of a wastewater treatment plant. This work should be made based on the evaluation of structural identifiability of model parameters. An EBPR sub-model including denitrification phosphorus removal has been incorporated in ASM2d. Yet no report is presented on the structural identifiability of the parameters in the EBPR sub-model. In this paper, the differential algebra approach was used to address this issue. The results showed that the structural identifiability of parameters in the EBPR sub-model could be improved by increasing the measured variables. The reduction factor eta(NO)(3) was identifiable when combined data of aerobic process and anoxic process were assumed. For K(PP), X(PAO) and q(PHA) of the anaerobic process to be uniquely identifiable, one of them is needed to be determined by other ways. Likewise, if prior information on one of the parameters, K(PHA), X(PAO) and q(PP) of the aerobic process, is known, all the parameters are identifiable. The above results could be of interest to the parameter estimation of the EBPR sub-model. The algorithm proposed in the paper is also suitable for other sub-models of ASMs.

  16. Alternating zinc fingers in the human male associated protein ZFY: 2D NMR structure of an even finger and implications for jumping-linker DNA recognition

    SciTech Connect

    Kochoyan, M.; Havel, T.F.; Dahl, C.E. ); Nguyen, D.T.; Keutmann, H.T. ); Weiss, M.A. Massachusetts General Hospital, Boston )

    1991-04-09

    ZFY, a sex-related Zn-finger protein encoded by the human Y chromosome, is distinguished from the general class of Zn-finger proteins by the presence of a two-finger repeat. Whereas odd-numbered domains and linkers fit a general consensus, even-numbered domains and linkers exhibit systematic differences. Because this alternation may have fundamental implications for the mechanism of protein-DNA recognition, the authors have undertaken biochemical and structural studies of fragments of ZFY. They describe here the solution structure of a representative nonconsensus (even-numbered) Zn finger based on 2D NMR studies of a 30-residue peptide. Structural modeling by distance geometry and simulated annealing (DG/SA) demonstrates that this peptide folds as a miniglobular domain containing a C-terminal {beta}-hairpin and N-terminal {alpha}-helix ({beta}{beta}{alpha} motif). These features are similar to (but not identical with) those previously described in consensus-type Zn fingers (derived from ADR1 and Xfin); the similarities suggest that even and odd ZFY domains bind DNA by a common mechanism. A model of the protein-DNA complex (designated the jumping-linker model) is presented and discussed in terms of the ZFY two-finger repeat. In this model every other linker is proposed to cross the minor groove by means of a putative finger/linker submotif HX{sub 4}HX{sub 3}-hydrophobic residue-X{sub 3}.

  17. 2D magnetotelluric imaging of the Anqing-Guichi ore district, Yangtze metallogenic belt, eastern China: An insight into the crustal structure and tectonic units

    NASA Astrophysics Data System (ADS)

    Chen, Xiangbin; Yan, Jiayong

    2016-08-01

    Two parallel NW-trending magnetotelluric (MT) profiles were placed perpendicularly to the main structures of the Anqing-Guichi ore district, one of the seven ore districts in the middle-lower Yangtze River metallogenic belt of eastern China. In October-December 2013, the MT data acquisition was carried out at 117 sites with 0.5-1 km site spacing. The MT data has a good quality in the frequency range between 320 and 0.01 Hz. The dimensionality analysis and 2D resistivity inversion results indicate that: (1) the deep of the ore district with three-dimensional structural characteristics, but two-dimensional structural characteristics for shallow; (2) there is a clear correlation between resistivity and the main geological units of the ore district, as well as correlation with mapped surface faults; (3) the Gandan deep fault (GDF) and Jiangnan deep fault (JNF) extend from the surface to 10 km deep, with dip of NW45°, and dip angles larger than 60°. A series of NE-trending acidic intrusive rocks were controlled by the GDF.

  18. XB-70 aerodynamic, geometric, mass, and symmetric structural mode data

    NASA Technical Reports Server (NTRS)

    Wykes, J. H.; Mori, A. S.

    1970-01-01

    XB-70-1 mass, structural, and aerodynamic data were updated to reflect as closely as possible the characteristics of the airplane at three specific flight conditions which were actually flown; a nominal Mach number of 0.90 at an altitude of 25,000 feet (two cases) and a nominal Mach number of 1.6 at an altitude of 40,000 feet (one case). In-flight response characteristics at a number of points on the vehicle were obtained by exciting a pair of shaker vanes on the nose of the airplane. Data were recorded with the basic stability augmentation system (SAS) operating both alone and together with the identical location of accelerometer and force (ILAF) structural mode control system. Detailed total vehicle weight, mass characteristics, structural frequencies, generalized masses, all aerodynamic data used in the present analyses, and a description of the actual mode shapes are tabulated and presented.

  19. Quasinormal modes and the phase structure of strongly coupled matter

    NASA Astrophysics Data System (ADS)

    Janik, Romuald A.; Jankowski, Jakub; Soltanpanahi, Hesam

    2016-06-01

    We investigate the poles of the retarded Green's functions of strongly coupled field theories exhibiting a variety of phase structures from a crossover up to different first order phase transitions. These theories are modeled by a dual gravitational description. The poles of the holographic Green's functions appear at the frequencies of the quasinormal modes of the dual black hole background. We focus on quantifying linearized level dynamical response of the system in the critical region of phase diagram. Generically non-hydrodynamic degrees of freedom are important for the low energy physics in the vicinity of a phase transition. For a model with linear confinement in the meson spectrum we find degeneracy of hydrodynamic and non-hydrodynamic modes close to the minimal black hole temperature, and we establish a region of temperatures with unstable non-hydrodynamic modes in a branch of black hole solutions.

  20. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  1. Structural mode significance using INCA. [Interactive Controls Analysis computer program

    NASA Technical Reports Server (NTRS)

    Bauer, Frank H.; Downing, John P.; Thorpe, Christopher J.

    1990-01-01

    Structural finite element models are often too large to be used in the design and analysis of control systems. Model reduction techniques must be applied to reduce the structural model to manageable size. In the past, engineers either performed the model order reduction by hand or used distinct computer programs to retrieve the data, to perform the significance analysis and to reduce the order of the model. To expedite this process, the latest version of INCA has been expanded to include an interactive graphical structural mode significance and model order reduction capability.

  2. Localization of acoustic modes in periodic porous silicon structures

    PubMed Central

    2014-01-01

    The propagation of longitudinal acoustic waves in multilayer structures based on porous silicon and the experimental measurement of acoustic transmission for the structures in the gigahertz range are reported and studied theoretically. The considered structures exhibit band gaps in the transmission spectrum and these are localized modes inside the band gap, coming from defect layers introduced in periodic systems. The frequency at which the acoustic resonances appear can be tuned by changing the porosity and/or thickness of the defect layer. PMID:25206317

  3. Towards functional assembly of 3D and 2D nanomaterials

    NASA Astrophysics Data System (ADS)

    Jacobs, Christopher B.; Wang, Kai; Ievlev, Anton V.; Muckley, Eric S.; Ivanov, Ilia N.

    2016-09-01

    Functional assemblies of materials can be realized by tuning the work function and band gap of nanomaterials by rational material selection and design. Here we demonstrate the structural assembly of 2D and 3D nanomaterials and show that layering a 2D material monolayer on a 3D metal oxide leads to substantial alteration of both the surface potential and optical properties of the 3D material. A 40 nm thick film of polycrystalline NiO was produced by room temperature rf-sputtering, resulting in a 3D nanoparticle assembly. Chemical vapor deposition (CVD) grown 10-30 μm WS2 flakes (2D material) were placed on the NiO surface using a PDMS stamp transfer technique. The 2D/3D WS2/NiO assembly was characterized using confocal micro Raman spectroscopy to evaluate the vibrational properties and using Kelvin probe force microscopy (KPFM) to evaluate the surface potential. Raman maps of the 2D/3D assembly show spatial non-uniformity of the A1g mode ( 418 cm-1) and the disorder-enhanced longitudinal acoustic mode, 2LA(M) ( 350 cm-1), suggesting that the WS2 exists in a strained condition on when transferred onto 3D polycrystalline NiO. KPFM measurements show that single layer WS2 on SiO2 has a surface potential 75 mV lower than that of SiO2, whereas the surface potential of WS2 on NiO is 15 mV higher than NiO, indicating that WS2 could act as electron donor or acceptor depending on the 3D material it is interfaced with. Thus 2D and 3D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor.

  4. Investigations on structural thinning in deformation machining stretching mode

    NASA Astrophysics Data System (ADS)

    Singh, Arshpreet; Nirala, Harish Kumar; Agrawal, Anupam

    2016-10-01

    Deformation machining is a combination of thin structure machining and single point incremental forming/bending. This process enables the creation of monolithic, complex structures and geometries, which are difficult or sometimes impossible to manufacture employing conventional manufacturing techniques. Section thinning of the formed structure is a measure of process formability and influences the strength and stiffness of the formed component. In this study, experimental and finite element investigations on structural thinning in Deformation machining stretching mode have been performed. Structural thinning was found out to be highly non uniform along the forming depth at varying forming angles. A compensation strategy in thin structure machining has been proposed for uniform section thickness in incremental forming.

  5. Fourier Transform Microwave Spectrum of Propene-3-d1 (CH2=CHCH2D), Quadrupole Coupling Constants of Deuterium and a Semiexperimental Equilibrium Structure of Propene.

    PubMed

    Demaison, Jean; Craig, Norman C; Gurusinghe, Ranil Malaka; Tubergen, Michael John; Rudolph, Heinz Dieter; Coudert, Laurent H; Szalay, Peter G; Császár, Attila G

    2017-04-03

    The ground state rotational spectrum of propene-3-d1, CH2=CHCH2D, was measured by Fourier transform microwave spectroscopy. Transitions were assigned for the two conformers, one with the D atom in the symmetry plane (S) and the other with the D atom out of plane (A). The energy difference between the two conformers was calculated to be 6.5 cm-1, the S conformer having lower energy. The quadrupole hyperfine structure due to deuterium was resolved and analyzed for the two conformers. The experimental quadrupole coupling and the centrifugal distortion constants compared favorably to their ab initio counterparts. Ground state rotational constants for the S conformer are 40582.157(9), 9067.024(1), and 7766.0165(12) MHz. Ground state rotational constants for the A conformer are 43403.75(3), 8658.961(2), and 7718.247(2) MHz. For the A conformer, a small tunneling splitting (19 MHz) due to internal rotation was observed and analyzed. Using the new rotational constants of this work as well as those previously determined for the 13C species and for some deuterium-substituted species from the literature, a new semiexperimental equilibrium structure was determined and its high accuracy was confirmed. The difficulty in obtaining accurate coordinates for the out-of-plane hydrogen atom is discussed.

  6. WN4 longitudinal structure in the O (5S - 3P) and O+ (2P - 2D) ionospheric emissions as simulated by the C-IAM

    NASA Astrophysics Data System (ADS)

    Martynenko, Oleg; Ward, William E.; Shepherd, Gordon; Cho, Young-Min; Namgaladze, Alexander; Fomichev, Victor; McConnell, John; Semeniuk, Kirill; Beagley, Stephen

    A newly developed Canadian Ionosphere and Atmosphere Model (C-IAM) is introduced. It is being developed on the basis of two existing first principle models: the extended Canadian Middle Atmosphere Model (CMAM) and the ionospheric part of the Upper Atmosphere Model (UAM). The model extends from the surface to the inner magnetosphere and hence, is able to describe in a self-consistent way how lower atmosphere dynamical variability propagates into and affects the upper atmosphere and ionosphere. The C-IAM was applied to model the spatial structure of two different ionospheric emissions: the nighttime 135.6 nm O ( (5) S - (3) P) and daytime 732 nm O (+) ( (2) P - (2) D) emissions. The IMAGE satellite observations showed a wave number 4 (WN4) longitudinal structure in the 135.6 nm ionospheric emission emanating from the equatorial ionization anomaly at 350-400 km near 20:00 local time at each longitude. C-IAM simulations are in a good agreement with the observations. Model result analysis reveals that the main mechanism for generating the WN4 structure in the 135.6 nm emission is a modification of the ionospheric dynamo field caused by longitudinal variation of the zonal wind due to waves penetrating from the lower atmosphere. It was also shown, that during geomagnetic storms and substorms the high-latitudinal electric field fully suppresses the dynamo, so that the emission intensity dramatically decreases and the WN4 structure does not appear. The 732 nm emission simulated with the C-IAM also reveals the WN4 structure. Similar to the 135.6 nm emission, this structure is caused by waves penetrating from the lower atmosphere. However, the mechanism of excitation is quite different. The 732 nm emission is produced by the instant local ionization and excitation, and, hence, its variation is caused by the neutral density variability in the F2 region (above 200 km) without any involvement of the electric field effects. Correspondingly, latitudinal distribution of this

  7. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  8. Failure modes and materials design for biomechanical layer structures

    NASA Astrophysics Data System (ADS)

    Deng, Yan

    Ceramic materials are finding increasing usage in the area of biomechanical replacements---dental crowns, hip and bone implants, etc.---where strength, wear resistance, biocompatibility, chemical durability and even aesthetics are critical issues. Aesthetic ceramic crowns have been widely used in dentistry to replace damaged or missing teeth. However, the failure rates of ceramic crowns, especially all-ceramic crowns, can be 1%˜6% per year, which is not satisfactory to patients. The materials limitations and underlying fracture mechanisms of these prostheses are not well understood. In this thesis, fundamental fracture and damage mechanisms in model dental bilayer and trilayer structures are studied. Principle failure modes are identified from in situ experimentation and confirmed by fracture mechanics analysis. In bilayer structures of ceramic/polycarbonate (representative of ceramic crown/dentin structure), three major damage sources are identified: (i) top-surface cone cracks or (ii) quasiplasticity, dominating in thick ceramic bilayers; (iii) bottom-surface radial cracks, dominating in thin ceramic bilayers. Critical load P for each damage mode are measured in six dental ceramics: Y-TZP zirconia, glass-infiltrated zirconia and alumina (InCeram), glass-ceramic (Empress II), Porcelain (Mark II and Empress) bonded to polymer substrates, as a function of ceramic thickness d in the range of 100 mum to 10 mm. P is found independent of d for mode (i) and (ii), but has a d 2 relations for mode (iii)---bottom surface radial cracking. In trilayer structures of glass/core-ceramic/polycarbonate (representing veneer porcelain/core/dentin structures), three inner fracture origins are identified: radial cracks from the bottom surface in the (i) first and (ii) second layers; and (iii) quasiplasticity in core-ceramic layer. The role of relative veneer/core thickness, d1/d 2 and materials properties is investigated for three core materials with different modulus (114--270GPa

  9. The structure and stratigraphy of the sedimentary succession in the Swedish sector of the Baltic Basin: New insights from vintage 2D marine seismic data

    NASA Astrophysics Data System (ADS)

    Sopher, Daniel; Erlström, Mikael; Bell, Nicholas; Juhlin, Christopher

    2016-04-01

    We present five interpreted regional seismic profiles, describing the full sedimentary sequence across the Swedish sector of the Baltic Sea. The data for the study are part of an extensive and largely unpublished 2D seismic dataset acquired between 1970 and 1990 by the Swedish Oil Prospecting Company (OPAB). The Baltic Basin is an intracratonic basin located in northern Europe. Most of the Swedish sector of the basin constitutes the NW flank of a broad synclinal depression, the Baltic Basin. In the SW of the Swedish sector lies the Hanö Bay Basin, formed by subsidence associated with inversion of the Tornquist Zone during the Late Cretaceous. The geological history presented here is broadly consistent with previously published works. We observe an area between the Hanö Bay and the Baltic Basin where the Palaeozoic strata has been affected by transpression and subsequent inversion, associated with the Tornquist Zone during the late Carboniferous-Early Permian and Late Cretaceous, respectively. We propose that the Christiansø High was a structural low during the Late Jurassic, which was later inverted in the Late Cretaceous. We suggest that a fan shaped feature in the seismic data, adjacent to the Christiansø Fault within the Hanö Bay Basin, represents rapidly deposited, coarse-grained sediments eroded from the inverted Christiansø High during the Late Cretaceous. We identify a number of faults within the deeper part of the Baltic Basin, which we also interpret to be transpressional in nature, formed during the Caledonian Orogeny in the Late Silurian-Early Devonian. East of Gotland a number of sedimentary structures consisting of Silurian carbonate reefs and Ordovician carbonate mounds, as well as a large Quaternary glacial feature are observed. Finally, we use the seismic interpretation to infer the structural and stratigraphic history of the Baltic and Hanö Bay basins within the Swedish sector.

  10. 2D photonic crystal and its angular reflective azimuthal spectrum

    NASA Astrophysics Data System (ADS)

    Senderakova, Dagmar; Drzik, Milan; Tomekova, Juliana

    2016-12-01

    Contemporary, attention is paid to photonic crystals, which can strongly modify light propagation through them and enable a controllable light manipulation. The contribution is focused on a sub-wavelength 2D structure formed by Al2O3 layer on silicon substrate, patterned with periodic hexagonal lattice of deep air holes. Using various laser sources of light at single wavelength, azimuthal angle dependence of the mirror-like reflected light intensity was recorded photo-electrically. The results obtained can be used to sample the band-structure of leaky modes of the photonic crystal more reliably and help us to map the photonic dispersion diagram.

  11. 2D Modelling of the Gorkha earthquake through the joint exploitation of Sentinel 1-A DInSAR measurements and geological, structural and seismological information

    NASA Astrophysics Data System (ADS)

    De Novellis, Vincenzo; Castaldo, Raffaele; Solaro, Giuseppe; De Luca, Claudio; Pepe, Susi; Bonano, Manuela; Casu, Francesco; Zinno, Ivana; Manunta, Michele; Lanari, Riccardo; Tizzani, Pietro

    2016-04-01

    A Mw 7.8 earthquake struck Nepal on 25 April 2015 at 06:11:26 UTC, killing more than 9,000 people, injuring more than 23,000 and producing extensive damages. The main seismic event, known as the Gorkha earthquake, had its epicenter localized at ~82 km NW of the Kathmandu city and the hypocenter at a depth of approximately 15 km. After the main shock event, about 100 aftershocks occurred during the following months, propagating toward the south-east direction; in particular, the most energetic shocks were the Mw 6.7 and Mw 7.3 occurred on 26 April and 12 May, respectively. In this study, we model the causative fault of the earthquake by jointly exploiting surface deformation retrieved by the DInSAR measurements collected through the Sentinel 1-A (S1A) space-borne sensor and the available geological, structural and seismological information. We first exploit the analytical solution performing a back-analysis of the ground deformation detected by the first co-seismic S1A interferogram, computed by exploiting the 17/04/2015 and 29/04/2015 SAR acquisitions and encompassing the main earthquake and some aftershocks, to search for the location and geometry of the fault plane. Starting from these findings and by benefiting from the available geological, structural and seismological data, we carry out a Finite Element (FE)-based 2D modelling of the causative fault, in order to evaluate the impact of the geological structures activated during the seismic event on the distribution of the ground deformation field. The obtained results show that the causative fault has a rather complex compressive structure, dipping northward, formed by segments with different dip angles: 6° the deep segment and 60° the shallower one. Therefore, although the hypocenters of the main shock and most of the more energetic aftershocks are located along the deeper plane, corresponding to a segment of the Main Himalayan Thrust (MHT), the FE solution also indicates the contribution of the shallower

  12. Graph Structure-Based Simultaneous Localization and Mapping Using a Hybrid Method of 2D Laser Scan and Monocular Camera Image in Environments with Laser Scan Ambiguity.

    PubMed

    Oh, Taekjun; Lee, Donghwa; Kim, Hyungjin; Myung, Hyun

    2015-07-03

    Localization is an essential issue for robot navigation, allowing the robot to perform tasks autonomously. However, in environments with laser scan ambiguity, such as long corridors, the conventional SLAM (simultaneous localization and mapping) algorithms exploiting a laser scanner may not estimate the robot pose robustly. To resolve this problem, we propose a novel localization approach based on a hybrid method incorporating a 2D laser scanner and a monocular camera in the framework of a graph structure-based SLAM. 3D coordinates of image feature points are acquired through the hybrid method, with the assumption that the wall is normal to the ground and vertically flat. However, this assumption can be relieved, because the subsequent feature matching process rejects the outliers on an inclined or non-flat wall. Through graph optimization with constraints generated by the hybrid method, the final robot pose is estimated. To verify the effectiveness of the proposed method, real experiments were conducted in an indoor environment with a long corridor. The experimental results were compared with those of the conventional GMappingapproach. The results demonstrate that it is possible to localize the robot in environments with laser scan ambiguity in real time, and the performance of the proposed method is superior to that of the conventional approach.

  13. 3D assembly based on 2D structure of Cellulose Nanofibril/Graphene Oxide Hybrid Aerogel for Adsorptive Removal of Antibiotics in Water

    PubMed Central

    Yao, Qiufang; Fan, Bitao; Xiong, Ye; Jin, Chunde; Sun, Qingfeng; Sheng, Chengmin

    2017-01-01

    Cellulose nanofibril/graphene oxide hybrid (CNF/GO) aerogel was fabricated via a one-step ultrasonication method for adsorptive removal of 21 kinds of antibiotics in water. The as-prepared CNF/GO aerogel possesses interconnected 3D network microstructure, in which GO nanosheets with 2D structure were intimately grown along CNF through hydrogen bonds. The aerogel exhibited superior adsorption capacity toward the antibiotics. The removal percentages (R%) of the antibiotics were more than 69% and the sequence of six categories antibiotics according to the adsorption efficiency was as follows: Tetracyclines > Quinolones > Sulfonamides > Chloramphenicols > β-Lactams > Macrolides. The adsorption mechanism was proposed to be electrostatic attraction, p-π interaction, π-π interaction and hydrogen bonds. In detail, the adsorption capacities of CNF/GO aerogel were 418.7 mg·g−1 for chloramphenicol, 291.8 mg·g−1 for macrolides, 128.3 mg·g−1 for quinolones, 230.7 mg·g−1 for β-Lactams, 227.3 mg·g−1 for sulfonamides, and 454.6 mg·g−1 for tetracyclines calculated by the Langmuir isotherm models. Furthermore, the regenerated aerogels still could be repeatedly used after ten cycles without obvious degradation of adsorption performance. PMID:28368045

  14. Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.

    PubMed

    Nicasio, Antonio I; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P; Galindo, Agustín

    2017-01-03

    Different novel coordination polymers containing zinc, 1-4, and copper, 5-8, metals, connected via chiral imidazolium-based dicarboxylate ligands, [L(R)](-), were isolated by reaction between zinc acetate or copper acetate and enantiomerically pure HL(R) compounds. They were characterised and structurally identified by X-ray diffraction methods (single crystal and powder). These compounds are two-dimensional homochiral coordination polymers, [M(L(R))2]n, in which the metal ions are coordinated by the two carboxylate groups of [L(R)](-) anions in a general bridging monodentate μ(2)-κ(1)-O(1),κ(1)-O(3) fashion that afforded tetrahedral metal coordination environments for zinc, 1-4, and square planar for copper, 5-8, complexes. In all the compounds the 3D supramolecular architecture is constructed by non-covalent interactions between the hydrophobic parts (R groups) of the homochiral 2D coordination polymers and, in some cases, by weak C-HO non-classical hydrogen bonds that provided, in general, a dense crystal packing. DFT calculations on the [L(R)](-) anions confirmed their conformational flexibility as ditopic linkers and this fact makes possible the formation of different coordination polymers for four-coordinated metal centers. Preliminary studies on the Zn-catalyzed synthesis of chiral α-aminophosphonates were carried out and, unfortunately, no enantioselectivity was observed in these reactions.

  15. Graph Structure-Based Simultaneous Localization and Mapping Using a Hybrid Method of 2D Laser Scan and Monocular Camera Image in Environments with Laser Scan Ambiguity

    PubMed Central

    Oh, Taekjun; Lee, Donghwa; Kim, Hyungjin; Myung, Hyun

    2015-01-01

    Localization is an essential issue for robot navigation, allowing the robot to perform tasks autonomously. However, in environments with laser scan ambiguity, such as long corridors, the conventional SLAM (simultaneous localization and mapping) algorithms exploiting a laser scanner may not estimate the robot pose robustly. To resolve this problem, we propose a novel localization approach based on a hybrid method incorporating a 2D laser scanner and a monocular camera in the framework of a graph structure-based SLAM. 3D coordinates of image feature points are acquired through the hybrid method, with the assumption that the wall is normal to the ground and vertically flat. However, this assumption can be relieved, because the subsequent feature matching process rejects the outliers on an inclined or non-flat wall. Through graph optimization with constraints generated by the hybrid method, the final robot pose is estimated. To verify the effectiveness of the proposed method, real experiments were conducted in an indoor environment with a long corridor. The experimental results were compared with those of the conventional GMappingapproach. The results demonstrate that it is possible to localize the robot in environments with laser scan ambiguity in real time, and the performance of the proposed method is superior to that of the conventional approach. PMID:26151203

  16. 3D assembly based on 2D structure of Cellulose Nanofibril/Graphene Oxide Hybrid Aerogel for Adsorptive Removal of Antibiotics in Water.

    PubMed

    Yao, Qiufang; Fan, Bitao; Xiong, Ye; Jin, Chunde; Sun, Qingfeng; Sheng, Chengmin

    2017-04-03

    Cellulose nanofibril/graphene oxide hybrid (CNF/GO) aerogel was fabricated via a one-step ultrasonication method for adsorptive removal of 21 kinds of antibiotics in water. The as-prepared CNF/GO aerogel possesses interconnected 3D network microstructure, in which GO nanosheets with 2D structure were intimately grown along CNF through hydrogen bonds. The aerogel exhibited superior adsorption capacity toward the antibiotics. The removal percentages (R%) of the antibiotics were more than 69% and the sequence of six categories antibiotics according to the adsorption efficiency was as follows: Tetracyclines > Quinolones > Sulfonamides > Chloramphenicols > β-Lactams > Macrolides. The adsorption mechanism was proposed to be electrostatic attraction, p-π interaction, π-π interaction and hydrogen bonds. In detail, the adsorption capacities of CNF/GO aerogel were 418.7 mg·g(-1) for chloramphenicol, 291.8 mg·g(-1) for macrolides, 128.3 mg·g(-1) for quinolones, 230.7 mg·g(-1) for β-Lactams, 227.3 mg·g(-1) for sulfonamides, and 454.6 mg·g(-1) for tetracyclines calculated by the Langmuir isotherm models. Furthermore, the regenerated aerogels still could be repeatedly used after ten cycles without obvious degradation of adsorption performance.

  17. Controller-structure interaction compensation using adaptive residual mode filters

    NASA Technical Reports Server (NTRS)

    Davidson, Roger A.; Balas, Mark J.

    1990-01-01

    It is not feasible to construct controllers for large space structures or large scale systems (LSS's) which are of the same order as the structures. The complexity of the dynamics of these systems is such that full knowledge of its behavior cannot by processed by today's controller design methods. The controller for system performance of such a system is therefore based on a much smaller reduced-order model (ROM). Unfortunately, the interaction between the LSS and the ROM-based controller can produce instabilities in the closed-loop system due to the unmodeled dynamics of the LSS. Residual mode filters (RMF's) allow the systematic removal of these instabilities in a matter which does not require a redesign of the controller. In addition RMF's have a strong theoretical basis. As simple first- or second-order filters, the RMF CSI compensation technique is at once modular, simple and highly effective. RMF compensation requires knowledge of the dynamics of the system modes which resulted in the previous closed-loop instabilities (the residual modes), but this information is sometimes known imperfectly. An adaptive, self-tuning RMF design, which compensates for uncertainty in the frequency of the residual mode, has been simulated using continuous-time and discrete-time models of a flexible robot manipulator. Work has also been completed on the discrete-time experimental implementation on the Martin Marietta flexible robot manipulator experiment. This paper will present the results of that work on adaptive, self-tuning RMF's, and will clearly show the advantage of this adaptive compensation technique for controller-structure interaction (CSI) instabilities in actively-controlled LSS's.

  18. A frequency-based approach to locate common structure for 2D-3D intensity-based registration of setup images in prostate radiotherapy

    SciTech Connect

    Munbodh, Reshma; Chen Zhe; Jaffray, David A.; Moseley, Douglas J.; Knisely, Jonathan P. S.; Duncan, James S.

    2007-07-15

    In many radiotherapy clinics, geometric uncertainties in the delivery of 3D conformal radiation therapy and intensity modulated radiation therapy of the prostate are reduced by aligning the patient's bony anatomy in the planning 3D CT to corresponding bony anatomy in 2D portal images acquired before every treatment fraction. In this paper, we seek to determine if there is a frequency band within the portal images and the digitally reconstructed radiographs (DRRs) of the planning CT in which bony anatomy predominates over non-bony anatomy such that portal images and DRRs can be suitably filtered to achieve high registration accuracy in an automated 2D-3D single portal intensity-based registration framework. Two similarity measures, mutual information and the Pearson correlation coefficient were tested on carefully collected gold-standard data consisting of a kilovoltage cone-beam CT (CBCT) and megavoltage portal images in the anterior-posterior (AP) view of an anthropomorphic phantom acquired under clinical conditions at known poses, and on patient data. It was found that filtering the portal images and DRRs during the registration considerably improved registration performance. Without filtering, the registration did not always converge while with filtering it always converged to an accurate solution. For the pose-determination experiments conducted on the anthropomorphic phantom with the correlation coefficient, the mean (and standard deviation) of the absolute errors in recovering each of the six transformation parameters were {theta}{sub x}:0.18(0.19) deg., {theta}{sub y}:0.04(0.04) deg., {theta}{sub z}:0.04(0.02) deg., t{sub x}:0.14(0.15) mm, t{sub y}:0.09(0.05) mm, and t{sub z}:0.49(0.40) mm. The mutual information-based registration with filtered images also resulted in similarly small errors. For the patient data, visual inspection of the superimposed registered images showed that they were correctly aligned in all instances. The results presented in this

  19. Interaction of Lamb mode (A(o)) with structural discontinuity and generation of "Turning modes" in a T-joint.

    PubMed

    Ramadas, C; Balasubramaniam, Krishnan; Joshi, M; Krishnamurthy, C V

    2011-07-01

    In the present work, the interaction of the fundamental anti-symmetric guided Lamb mode (A(o)) with a structural discontinuity in a composite structure was studied through Finite Element numerical simulations and experiments. The structural component selected for this study was a T-joint section made from glass/epoxy material. This co-cured composite structure is made-up of an upper shell (skin) and a spar as the sub-components. It was observed that when A(o) mode interacts with the junction (structural discontinuity) of these sub-components, a mode-converted S(o) mode is generated. Experiments were conducted using air-coupled ultrasound to validate the numerical simulations. The back-propagating "Turning modes", which propagate from the thin region to the spar web and vice versa, were also numerically simulated and experimentally verified.

  20. Resolving 2D Amorphous Materials with Scanning Probe Microscopy

    NASA Astrophysics Data System (ADS)

    Burson, Kristen M.; Buechner, Christin; Lewandowski, Adrian; Heyde, Markus; Freund, Hans-Joachim

    Novel two-dimensional (2D) materials have garnered significant scientific interest due to their potential technological applications. Alongside the emphasis on crystalline materials, such as graphene and hexagonal BN, a new class of 2D amorphous materials must be pursued. For amorphous materials, a detailed understanding of the complex structure is necessary. Here we present a structural study of 2D bilayer silica on Ru(0001), an insulating material which is weakly coupled to the substrate. Atomic structure has been determined with a dual mode atomic force microscopy (AFM) and scanning tunneling microscopy (STM) sensor in ultra-high vacuum (UHV) at low temperatures, revealing a network of different ring sizes. Liquid AFM measurements with sub-nanometer resolution bridge the gap between clean UHV conditions and the environments that many material applications demand. Samples are grown and characterized in vacuum and subsequently transferred to the liquid AFM. Notably, the key structural features observed, namely nanoscale ring networks and larger holes to the substrate, show strong quantitative agreement between the liquid and UHV microscopy measurements. This provides direct evidence for the structural stability of these silica films for nanoelectronics and other applications. KMB acknowledges support from the Alexander von Humboldt Foundation.

  1. Interferometric Motion Detection in Atomic Layer 2D Nanostructures: Visualizing Signal Transduction Efficiency and Optimization Pathways

    PubMed Central

    Wang, Zenghui; Feng, Philip X.-L.

    2016-01-01

    Atomic layer crystals are emerging building blocks for enabling new two-dimensional (2D) nanomechanical systems, whose motions can be coupled to other attractive physical properties in such 2D systems. Optical interferometry has been very effective in reading out the infinitesimal motions of these 2D structures and spatially resolving different modes. To quantitatively understand the detection efficiency and its dependence on the device parameters and interferometric conditions, here we present a systematic study of the intrinsic motion responsivity in 2D nanomechanical systems using a Fresnel-law-based model. We find that in monolayer to 14-layer structures, MoS2 offers the highest responsivity among graphene, h-BN, and MoS2 devices and for the three commonly used visible laser wavelengths (633, 532, and 405 nm). We also find that the vacuum gap resulting from the widely used 300 nm-oxide substrate in making 2D devices, fortunately, leads to close-to-optimal responsivity for a wide range of 2D flakes. Our results elucidate and graphically visualize the dependence of motion transduction responsivity upon 2D material type and number of layers, vacuum gap, oxide thickness, and detecting wavelength, thus providing design guidelines for constructing 2D nanomechanical systems with optimal optical motion readout. PMID:27464908

  2. Interferometric Motion Detection in Atomic Layer 2D Nanostructures: Visualizing Signal Transduction Efficiency and Optimization Pathways

    NASA Astrophysics Data System (ADS)

    Wang, Zenghui; Feng, Philip X.-L.

    2016-07-01

    Atomic layer crystals are emerging building blocks for enabling new two-dimensional (2D) nanomechanical systems, whose motions can be coupled to other attractive physical properties in such 2D systems. Optical interferometry has been very effective in reading out the infinitesimal motions of these 2D structures and spatially resolving different modes. To quantitatively understand the detection efficiency and its dependence on the device parameters and interferometric conditions, here we present a systematic study of the intrinsic motion responsivity in 2D nanomechanical systems using a Fresnel-law-based model. We find that in monolayer to 14-layer structures, MoS2 offers the highest responsivity among graphene, h-BN, and MoS2 devices and for the three commonly used visible laser wavelengths (633, 532, and 405 nm). We also find that the vacuum gap resulting from the widely used 300 nm-oxide substrate in making 2D devices, fortunately, leads to close-to-optimal responsivity for a wide range of 2D flakes. Our results elucidate and graphically visualize the dependence of motion transduction responsivity upon 2D material type and number of layers, vacuum gap, oxide thickness, and detecting wavelength, thus providing design guidelines for constructing 2D nanomechanical systems with optimal optical motion readout.

  3. Interferometric Motion Detection in Atomic Layer 2D Nanostructures: Visualizing Signal Transduction Efficiency and Optimization Pathways.

    PubMed

    Wang, Zenghui; Feng, Philip X-L

    2016-07-28

    Atomic layer crystals are emerging building blocks for enabling new two-dimensional (2D) nanomechanical systems, whose motions can be coupled to other attractive physical properties in such 2D systems. Optical interferometry has been very effective in reading out the infinitesimal motions of these 2D structures and spatially resolving different modes. To quantitatively understand the detection efficiency and its dependence on the device parameters and interferometric conditions, here we present a systematic study of the intrinsic motion responsivity in 2D nanomechanical systems using a Fresnel-law-based model. We find that in monolayer to 14-layer structures, MoS2 offers the highest responsivity among graphene, h-BN, and MoS2 devices and for the three commonly used visible laser wavelengths (633, 532, and 405 nm). We also find that the vacuum gap resulting from the widely used 300 nm-oxide substrate in making 2D devices, fortunately, leads to close-to-optimal responsivity for a wide range of 2D flakes. Our results elucidate and graphically visualize the dependence of motion transduction responsivity upon 2D material type and number of layers, vacuum gap, oxide thickness, and detecting wavelength, thus providing design guidelines for constructing 2D nanomechanical systems with optimal optical motion readout.

  4. HOTCFGM-2D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Bi-Directionally Components with Bi-Directionally Graded Microstructures

    NASA Technical Reports Server (NTRS)

    Pindera, Marek-Jerzy; Aboudi, Jacob

    2000-01-01

    The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal

  5. Fine-scale thermohaline ocean structure retrieved with 2-D prestack full-waveform inversion of multichannel seismic data: Application to the Gulf of Cadiz (SW Iberia)

    NASA Astrophysics Data System (ADS)

    Dagnino, D.; Sallarès, V.; Biescas, B.; Ranero, C. R.

    2016-08-01

    This work demonstrates the feasibility of 2-D time-domain, adjoint-state acoustic full-waveform inversion (FWI) to retrieve high-resolution models of ocean physical parameters such as sound speed, temperature and salinity. The proposed method is first described and then applied to prestack multichannel seismic (MCS) data acquired in the Gulf of Cadiz (SW Iberia) in 2007 in the framework of the Geophysical Oceanography project. The inversion strategy flow includes specifically designed data preconditioning for acoustic noise reduction, followed by the inversion of sound speed in the shotgather domain. We show that the final sound speed model has a horizontal resolution of ˜ 70 m, which is two orders of magnitude better than that of the initial model constructed with coincident eXpendable Bathy Thermograph (XBT) data, and close to the theoretical resolution of O(λ). Temperature (T) and salinity (S) are retrieved with the same lateral resolution as sound speed by combining the inverted sound speed model with the thermodynamic equation of seawater and a local, depth-dependent T-S relation derived from regional conductivity-temperature-depth (CTD) measurements of the National Oceanic and Atmospheric Administration (NOAA) database. The comparison of the inverted T and S models with XBT and CTD casts deployed simultaneously to the MCS acquisition shows that the thermohaline contrasts are resolved with an accuracy of 0.18oC for temperature and 0.08 PSU for salinity. The combination of oceanographic and MCS data into a common, pseudo-automatic inversion scheme allows to quantitatively resolve submeso-scale features that ought to be incorporated into larger-scale ocean models of oceans structure and circulation.

  6. Resonance modes filtering in structured x-ray waveguides

    NASA Astrophysics Data System (ADS)

    Bukreeva, Inna; Cedola, Alessia; Sorrentino, Andrea; Pelliccia, Daniele; Asadchikov, Viktor; Lagomarsino, Stefano

    2011-07-01

    We discuss the self-imaging effect that occurs in a multimode planar x-ray waveguide (WG) with a nanometer vacuum gap, where an additional longitudinal periodicity has been imposed by a periodical structure (a micron scale step-like grating) on the reflecting sidewalls. Taking into account the general Montgomery conditions and the particular case of Talbot effect, we show that this additional longitudinal periodicity, if suitably designed, can filter out the asymmetric and the high order resonance modes, providing a coherent beam at the exit, even if the WG is illuminated by an incoherent source.

  7. Quantification of Structural Isomers via Mode-Selective Irmpd

    NASA Astrophysics Data System (ADS)

    Polfer, Nicolas C.

    2016-06-01

    Mixtures of structural isomers can pose a challenge for vibrational ion spectroscopy. In cases where particular structures display diagnostic vibrations, these structures can be selectively "burned away". In ion traps, the ion population can be subjected to multiple laser shots, in order to fully deplete a particular structure, in effect allowing a quantification of this structure. Protonated para-amino benzoic acid (PABA) serves as an illustrative example. PABA is known to preferentially exist in the N-protonated (N-prot) form in solution, but in the gas phase it is energetically favorable in the O-protonated (O-prot) form. As shown in Figure 1, the N-prot structure can be kinetically trapped in the gas phase when sprayed from non-protic solvent, whereas the O-prot structure is obtained when sprayed from protic solvents, analogous to results by others [1,2]. y parking the light source on the diagnostic 3440 wn mode, the percentage of the O-prot structure can be determined, and by default the remainder is assumed to adopt the N-prot structure. It will be shown that the relative percentages of O-prot vs N-prot are highly dependent on the solvent mixture, going from close to 0% O-prot in non-protic solvents, to 99% in protic solvents. Surprisingly, water behaves much more like a non-protic solvent than methanol. It is observed that the capillary temperature, which aids droplet desolvation by black-body radiation in the ESI source, is critical to promote the appearance of O-prot structures. These results are consistent with the picture that a protic bridge mechanism is at play to facilitate proton transfer, and thus allow conversion from N-prot to O-prot, but that this mechanism is subject to appreciable kinetic barriers on the timescale of solvent evaporation. 1. J. Phys. Chem. A 2011, 115, 7625. 2. Anal. Chem. 2012, 84, 7857.

  8. Synthesis, X-ray crystal structure, optical properties and DFT studies of a new 2D layered iodide bridged Pb(II) coordination polymer with 2,3-bis(2-pyridyl)pyrazine

    SciTech Connect

    Saghatforoush, Lotfali Bakhtiari, Akbar; Gheleji, Hojjat

    2015-01-15

    The synthesis of two dimensional (2D) coordination polymer [Pb{sub 2}(µ-I){sub 2}(µ-dpp-N,N,N,N)(µ-dpp-N,N)I{sub 2}]{sub n} (dpp=2,3-bis(2-pyridyl)pyrazine) is reported. As determined by X-ray diffraction of a twinned crystal, the dpp ligand simultaneously adopts a bis–bidentate and bis–monodentate coordination mode in the crystal structure of compound. The electronic band structure along with density of states (DOS) calculated by the DFT method indicates that the compound is an indirect band gap semiconductor. According to the DFT calculations, the observed emission of the compound at 600 nm in solid phase could be attributed to arise from an excited LLCT state (dpp-π{sup ⁎} [C-2p and N-2p states, CBs] to I-6p state [VBs]). The linear optical properties of the compound are also calculated by DFT method. The structure of the compound in solution phase is discussed based on the measured {sup 1}H NMR and fluorescence spectra in DMSO. TGA studies indicate that the compound is thermally stable up to 210 °C. - Graphical abstract: The synthesis, crystal structure and emission spectra of [Pb{sub 2}(µ-I){sub 2}(µ-dpp-N,N,N,N)(µ-dpp-N,N)I{sub 2}]{sub n} is presented. The electronic band structure and linear optical properties of the compound are calculated by the DFT method. - Highlights: • Two dimensional [Pb{sub 2}(µ-I){sub 2}(µ-dpp-N,N,N,N)(µ-dpp-N,N)I{sub 2}]{sub n} has been prepared. • The structure of the compound is determined by XRD of a twinned crystal. • DFT calculations indicate that the compound is an indirect band gap semiconductor. • As shown by DFT calculations, the emission band of the compound is LLCT. • Solution phase structure of compound is explored by {sup 1}H NMR and emission spectra.

  9. Shape-dependent global deformation modes of large protein structures

    NASA Astrophysics Data System (ADS)

    Miloshevsky, Gennady V.; Hassanein, Ahmed; Jordan, Peter C.

    2010-05-01

    Conformational changes are central to the functioning of pore-forming proteins that open and close their molecular gates in response to external stimuli such as pH, ionic strength, membrane voltage or ligand binding. Normal mode analysis (NMA) is used to identify and characterize the slowest motions in the gA, KcsA, ClC-ec1, LacY and LeuT Aa proteins at the onset of gating. Global deformation modes of the essentially cylindrical gA, KcsA, LacY and LeuT Aa biomolecules are reminiscent of global twisting, transverse and longitudinal motions in a homogeneous elastic rod. The ClC-ec1 protein executes a splaying motion in the plane perpendicular to the lipid bilayer. These global collective deformations are determined by protein shape. New methods, all-atom Monte Carlo Normal Mode Following and its simplification using a rotation-translation of protein blocks (RTB), are described and applied to gain insight into the nature of gating transitions in gA and KcsA. These studies demonstrate the severe limitations of standard NMA in characterizing the structural rearrangements associated with gating transitions. Comparison of all-atom and RTB transition pathways in gA clearly illustrates the impact of the rigid protein block approximation and the need to include all degrees of freedom and their relaxation in computational studies of protein gating. The effects of atomic level structure, pH, hydrogen bonding and charged residues on the large-scale conformational changes associated with gating transitions are discussed.

  10. High-throughput critical dimensions uniformity (CDU) measurement of two-dimensional (2D) structures using scanning electron microscope (SEM) systems

    NASA Astrophysics Data System (ADS)

    Fullam, Jennifer; Boye, Carol; Standaert, Theodorus; Gaudiello, John; Tomlinson, Derek; Xiao, Hong; Fang, Wei; Zhang, Xu; Wang, Fei; Ma, Long; Zhao, Yan; Jau, Jack

    2011-03-01

    In this paper, we tested a novel methodology of measuring critical dimension (CD) uniformity, or CDU, with electron beam (e-beam) hotspot inspection and measurement systems developed by Hermes Microvision, Inc. (HMI). The systems were used to take images of two-dimensional (2D) array patterns and measure CDU values in a custom designated fashion. Because this methodology combined imaging of scanning micro scope (SEM) and CD value averaging over a large array pattern of optical CD, or OCD, it can measure CDU of 2D arrays with high accuracy, high repeatability and high throughput.

  11. Two-beam, Multi-mode Detuned Accelerating Structure

    SciTech Connect

    Kazakov, S. Yu.; Kuzikov, S. V.; Yakovlev, V. P.; Hirshfield, J. L.

    2009-01-22

    A two-beam accelerator structure is described having several novel features including all metal construction, no transfer structures required between the drive and accelerator channels, symmetric fields at the axes of each channel, RF micropulse widths on cavity irises that are less than half those for a conventional cavity at the same fundamental frequency by virtue of using several harmonically-related cavity modes, and a transformer ratio much greater than unity by the use of detuned cavities. Detuning is also shown to allow either parallel or anti-parallel directions for the drive and accelerated beams. A preliminary calculation for the dilution of emittance due to short-range wakes for drive beam parameters similar to those for CLIC shows this effect to be acceptably small.

  12. One-step sol-gel imprint lithography for guided-mode resonance structures.

    PubMed

    Huang, Yin; Liu, Longju; Johnson, Michael; C Hillier, Andrew; Lu, Meng

    2016-03-04

    Guided-mode resonance (GMR) structures consisting of sub-wavelength periodic gratings are capable of producing narrow-linewidth optical resonances. This paper describes a sol-gel-based imprint lithography method for the fabrication of submicron 1D and 2D GMR structures. This method utilizes a patterned polydimethylsiloxane (PDMS) mold to fabricate the grating coupler and waveguide for a GMR device using a sol-gel thin film in a single step. An organic-inorganic hybrid sol-gel film was selected as the imprint material because of its relatively high refractive index. The optical responses of several sol-gel GMR devices were characterized, and the experimental results were in good agreement with the results of electromagnetic simulations. The influence of processing parameters was investigated in order to determine how finely the spectral response and resonant wavelength of the GMR devices could be tuned. As an example potential application, refractometric sensing experiments were performed using a 1D sol-gel device. The results demonstrated a refractive index sensitivity of 50 nm/refractive index unit. This one-step fabrication process offers a simple, rapid, and low-cost means of fabricating GMR structures. We anticipate that this method can be valuable in the development of various GMR-based devices as it can readily enable the fabrication of complex shapes and allow the doping of optically active materials into sol-gel thin film.

  13. One-step sol-gel imprint lithography for guided-mode resonance structures

    NASA Astrophysics Data System (ADS)

    Huang, Yin; Liu, Longju; Johnson, Michael; Hillier, Andrew C.; Lu, Meng

    2016-03-01

    Guided-mode resonance (GMR) structures consisting of sub-wavelength periodic gratings are capable of producing narrow-linewidth optical resonances. This paper describes a sol-gel-based imprint lithography method for the fabrication of submicron 1D and 2D GMR structures. This method utilizes a patterned polydimethylsiloxane (PDMS) mold to fabricate the grating coupler and waveguide for a GMR device using a sol-gel thin film in a single step. An organic-inorganic hybrid sol-gel film was selected as the imprint material because of its relatively high refractive index. The optical responses of several sol-gel GMR devices were characterized, and the experimental results were in good agreement with the results of electromagnetic simulations. The influence of processing parameters was investigated in order to determine how finely the spectral response and resonant wavelength of the GMR devices could be tuned. As an example potential application, refractometric sensing experiments were performed using a 1D sol-gel device. The results demonstrated a refractive index sensitivity of 50 nm/refractive index unit. This one-step fabrication process offers a simple, rapid, and low-cost means of fabricating GMR structures. We anticipate that this method can be valuable in the development of various GMR-based devices as it can readily enable the fabrication of complex shapes and allow the doping of optically active materials into sol-gel thin film.

  14. Structural Analysis of an Evolved Transketolase Reveals Divergent Binding Modes

    PubMed Central

    Affaticati, Pierre E.; Dai, Shao-Bo; Payongsri, Panwajee; Hailes, Helen C.; Tittmann, Kai; Dalby, Paul A.

    2016-01-01

    The S385Y/D469T/R520Q variant of E. coli transketolase was evolved previously with three successive smart libraries, each guided by different structural, bioinformatical or computational methods. Substrate-walking progressively shifted the target acceptor substrate from phosphorylated aldehydes, towards a non-phosphorylated polar aldehyde, a non-polar aliphatic aldehyde, and finally a non-polar aromatic aldehyde. Kinetic evaluations on three benzaldehyde derivatives, suggested that their active-site binding was differentially sensitive to the S385Y mutation. Docking into mutants generated in silico from the wild-type crystal structure was not wholly satisfactory, as errors accumulated with successive mutations, and hampered further smart-library designs. Here we report the crystal structure of the S385Y/D469T/R520Q variant, and molecular docking of three substrates. This now supports our original hypothesis that directed-evolution had generated an evolutionary intermediate with divergent binding modes for the three aromatic aldehydes tested. The new active site contained two binding pockets supporting π-π stacking interactions, sterically separated by the D469T mutation. While 3-formylbenzoic acid (3-FBA) preferred one pocket, and 4-FBA the other, the less well-accepted substrate 3-hydroxybenzaldehyde (3-HBA) was caught in limbo with equal preference for the two pockets. This work highlights the value of obtaining crystal structures of evolved enzyme variants, for continued and reliable use of smart library strategies. PMID:27767080

  15. Axial-bundle phases--new modes of 2D, 3D, and helical columnar self-assembly in liquid crystalline phases of bolaamphiphiles with swallow tail lateral chains.

    PubMed

    Prehm, Marko; Liu, Feng; Zeng, Xiangbing; Ungar, Goran; Tschierske, Carsten

    2011-04-06

    Two series of polyphilic molecules composed of a rigid and linear p-terphenyl core, terminated at both ends with polar glycerol groups capable of hydrogen bonding, and two branched swallow tail-type lateral chains, composed of a fluorinated and a nonfluorinated branch or two fluorinated branches, were synthesized and investigated by differential scanning calorimetry, polarizing microscopy, and X-ray diffraction (XRD) with respect to their self-assembly in thermotropic liquid crystalline (LC) phases. Hexagonal columnar phases were formed by all molecules, at least at the highest temperature. In these phases the columns are composed of a core of aromatic rods and an aliphatic shell. The aromatic rods form bundles which are rotationally averaged and lie parallel to the column long axis. This unique organization is proven by different optical and XRD methods. The aromatic and glycerol groups inside the rod bundles are segregated into alternating segments. Depending on temperature and molecular structure, long-range intercolumnar correlation of this periodicity could take place, leading to a 3D-ordered LC phase with rhombohedral R ̄3m symmetry. The bundles are embedded in the matrix of the lateral chains, which is divided into fluoroalkyl- and aliphatic-rich regions. In the 2D columnar phase the fluorinated regions take the form of either straight columns running along the edges of the hexagonal Voronoi cells or, for compounds with a higher degree of fluorination, fuse to a hexagonal honeycomb enclosing the aromatic cores. In the R ̄3m phase the fluorine-rich chains are preferentially found along right- and left-handed helices wound around the 3(1) screw axes between the main aromatic columns.

  16. Radial structures and nonlinear excitation of Geodesic Acoustic Modes

    NASA Astrophysics Data System (ADS)

    Chen, Liu; Zonca, Fulvio

    2007-11-01

    In this paper, we show that GAMs constitute a continuous spectrum due to radial inhomogeneities. The existence of singular layer, thus, suggests linear mode conversion to short-wavelength kinetic GAM (KGAM) via finite ion Larmor radii. This result is demonstrated by derivations of the GAM mode structure and dispersion relation in the singular layer. At the lowest order in krρi, with kr the radial wave vector and ρi the ion Larmor radius, the well known kinetic dispersion relation of GAM is recovered. At the next relevant order, O(kr^2ρi^2), we show that KGAM propagates in the low-temperature and/or high safety-factor domain; i.e., typically, radially outward, and a corresponding damping rate is derived. In this work, we also show that, while KGAM is linearly stable due to ion Landau damping, it can be nonlinearly excited by finite-amplitude DW turbulence via 3-wave parametric interactions. The resultant 3-wave system exhibits the typical prey-predator self-regulatory dynamics.

  17. Design and development of a structural mode control system

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A program was conducted to compile and document some of the existing information about the conceptual design, development, and tests of the B-1 structural mode control system (SMCS) and its impact on ride quality. This report covers the following topics: (1) Rationale of selection of SMCS to meet ride quality criteria versus basic aircraft stiffening. (2) Key considerations in designing an SMCS, including vane geometry, rate and deflection requirements, power required, compensation network design, and fail-safe requirements. (3) Summary of key results of SMCS vane wind tunnel tests. (4) SMCS performance. (5) SMCS design details, including materials, bearings, and actuators. (6) Results of qualification testing of SMCS on the "Iron Bird" flight control simulator, and lab qualification testing of the actuators. (7) Impact of SMCS vanes on engine inlet characteristics from wind tunnel tests.

  18. Single-mode operation of mushroom structure surface emitting lasers

    SciTech Connect

    Wang, Y.J.; Dziura, T.G.; Wang, S.C. ); Du, G.; Wang, S. )

    1991-01-01

    Mushroom structure vertical cavity surface emitting lasers with a 0.6 {mu}m GaAs active layer sandwiched by two Al{sub 0.6{sup {minus}}}Ga{sub 0.4}As-Al{sub 0.08}Ga{sub 0.92}As multilayers as top and bottom mirrors exhibit 15 mA pulsed threshold current at 880 nm. Single longitudinal and single transverse mode operation was achieved on lasers with a 5 {mu}m diameter active region at current levels near 2 {times} I{sub th}. The light output above threshold current was linearly polarized with a polarization ratio of 25:1.

  19. 2D vibrational properties of epitaxial silicene on Ag(111)

    NASA Astrophysics Data System (ADS)

    Solonenko, Dmytro; Gordan, Ovidiu D.; Le Lay, Guy; Sahin, Hasan; Cahangirov, Seymur; Zahn, Dietrich R. T.; Vogt, Patrick

    2017-03-01

    The two-dimensional silicon allotrope, silicene, could spur the development of new and original concepts in Si-based nanotechnology. Up to now silicene can only be epitaxially synthesized on a supporting substrate such as Ag(111). Even though the structural and electronic properties of these epitaxial silicene layers have been intensively studied, very little is known about its vibrational characteristics. Here, we present a detailed study of epitaxial silicene on Ag(111) using in situ Raman spectroscopy, which is one of the most extensively employed experimental techniques to characterize 2D materials, such as graphene, transition metal dichalcogenides, and black phosphorous. The vibrational fingerprint of epitaxial silicene, in contrast to all previous interpretations, is characterized by three distinct phonon modes with A and E symmetries. Both, energies and symmetries of theses modes are confirmed by ab initio theory calculations. The temperature dependent spectral evolution of these modes demonstrates unique thermal properties of epitaxial silicene and a significant electron-phonon coupling. These results unambiguously support the purely two-dimensional character of epitaxial silicene up to about 300 °C, whereupon a 2D-to-3D phase transition takes place. The detailed fingerprint of epitaxial silicene will allow us to identify it in different environments or to study its modifications.

  20. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L. A.; Hallquist, J. O.

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  1. Long gradient mode and large-scale structure observables

    NASA Astrophysics Data System (ADS)

    Allahyari, Alireza; Firouzjaee, Javad T.

    2017-03-01

    We extend the study of long-mode perturbations to other large-scale observables such as cosmic rulers, galaxy-number counts, and halo bias. The long mode is a pure gradient mode that is still outside an observer's horizon. We insist that gradient-mode effects on observables vanish. It is also crucial that the expressions for observables are relativistic. This allows us to show that the effects of a gradient mode on the large-scale observables vanish identically in a relativistic framework. To study the potential modulation effect of the gradient mode on halo bias, we derive a consistency condition to the first order in gradient expansion. We find that the matter variance at a fixed physical scale is not modulated by the long gradient mode perturbations when the consistency condition holds. This shows that the contribution of long gradient modes to bias vanishes in this framework.

  2. Application of attachment modes in the control of large space structures

    NASA Technical Reports Server (NTRS)

    Craig, Roy R., Jr.

    1989-01-01

    Various ways are examined to obtain reduced order mathematical models of structures for use in dynamic response analyses and in controller design studies. Attachment modes are deflection shapes of a structure subjected to specified unit load distributions. Attachment modes are frequently employed to supplement free-interface normal modes to improve the modeling of components (structures) employed in component mode synthesis analyses. Deflection shapes of structures subjected to generalized loads of some specified distribution and of unit magnitude can also be considered to be attachment modes. Several papers which were written under this contract are summarized herein.

  3. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  4. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  5. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  6. E-2D Advanced Hawkeye Aircraft (E-2D AHE)

    DTIC Science & Technology

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-364 E-2D Advanced Hawkeye Aircraft (E-2D AHE) As of FY 2017 President’s Budget Defense...Office Estimate RDT&E - Research, Development, Test, and Evaluation SAR - Selected Acquisition Report SCP - Service Cost Position TBD - To Be Determined

  7. A batch-mode micromachining process for spherical structures

    NASA Astrophysics Data System (ADS)

    Li, Tao; Visvanathan, Karthik; Gianchandani, Yogesh B.

    2014-02-01

    This paper reports a self-aligned three-dimensional process (3D-SOULE) that incorporates batch-mode micro ultrasonic machining (µUSM), lapping and micro electro-discharge machining (µEDM) for fabrication of concave and mushroom-shaped spherical structures from hard and brittle materials. To demonstrate the process, 1 mm structures are fabricated from glass and ruby spheres. The µEDM technique is used to create the tool for μUSM from stainless steel spheres. Stainless steel 440, which provides a tool wear ratio <5%, is chosen as the tool material. A 2 × 2 array is used for batch processing. For an ultrasound generator frequency of 20 kHz and a vibration amplitude of 15 µm, machining rates of 24 and 12 µm min-1 are obtained for glass and ruby spheres, respectively. An approximate linear relationship is observed between the measured roughness (Ra) of the machined surface and the product of the fracture toughness (KIC) and the hardness (H) of the workpiece material (KIC3/2H1/2).

  8. Role of nuclear structure on the tilting mode

    NASA Astrophysics Data System (ADS)

    Naik, H.; Dange, S. P.

    2003-12-01

    The high spin fraction (HSF) of 131Te as a function of fragment emission angle has been determined in the 40 MeV alpha-particle induced fission of 238U using off-line gamma ray spectrometric technique. From the HSF the fragment average spin (Jav) of fission product has been deduced using statistical model analysis. The Jav value of 131Te is seen to remain nearly constant (10ℏ) from 90° to 20°. On the other hand, the Jav value of 132I from earlier work shows a drastic decrease (33%) from 11.4ℏ at 90° to 7.6ℏ at 20°. However, the yield weighted Jav value of both the products show a decrease of 13%, which in close agreement with the value of 5-10% change from 90° to 0° in the results obtained from gamma ray multiplicity measurements. Thus the drastic difference in the change of fragment average spin (Jav) of individual product from 90° to 20° obtained from the gamma ray spectrometric technique is most probably due to the nuclear structure effect of the fission products in their fragment stage. This shows the role of nuclear structure on the tilting mode and this experimental observation is made for the first time.

  9. Some aspects of temporal structure of leading winter extratropical modes

    NASA Astrophysics Data System (ADS)

    Pastor, M. A.; Doblas-Reyes, F. J.; Casado, M. J.

    2003-04-01

    SOME ASPECTS OF TEMPORAL STRUCTURE OF LEADING WINTER EXTRATROPICAL MODES M.A.Pastor (1), F. J. Doblas-Reyes (2), M. J. Casado (1) (1) I Instituto Nacional de Meteorología, c/Leonardo Prieto Castro,8,28071 ,Madrid,Spain, a.pastor@inm.es (2) ECMWF, Shinfield Park,RG2 9AX, Reading, UK, f.doblas-reyes@ecmwf.int As a first step in the evaluation of the capability of seasonal ensemble predictions to reproduce the leading modes which dominate the extratropical northern circulation and to explore the ensemble predictability, we examine the power spectra and timescale properties of the dominant atmospheric teleconnection patterns like the North Atlantic Oscillation (NAO), the Pacific-North America (PNA) patterns, etc. using the National Centres for Environmental Prediction (NCEP) re-analyses spanning the winters of 1948-2000 over the Northern Hemisphere poleward of 20ºN. The teleconnection patterns are identified by applying a rotated principal component analysis (RPCA) to the daily unfiltered 500-hPa geopotential height field. The election of the RPCA methodology is motivated by the fact that identifies simple and unique patterns of spatial dataset variability. The temporal evolution of the selected patterns can be understood as a stochastic processes with an e-folding timescale less than 10 days. The shortness of this timescale indicates that the excitation of these teleconnection patterns is limited to a period of time limited to a few days. Then, this study shows that the selected patterns evolve on timescales less than 2 weeks in agreement with very recent published works. It is emphasized the use of daily data in order to improve our understanding of the growth and decay mechanisms of teleconnection patterns, since using monthly or seasonal data, can produce a misleading picture of the underlying dynamics of the anomalies with time scales much shorter than 2 months.

  10. Temperature insensitive single-mode-multimode-single-mode fiber optic structures with two multimode fibers in series.

    PubMed

    Tripathi, Saurabh Mani; Kumar, Arun; Kumar, Manoj; Bock, Wojtek J

    2014-06-01

    We propose and demonstrate a temperature insensitive single-mode-multimode-single-mode fiber optic structure consisting of two in-series multimode fibers of appropriate lengths and of opposite temperature sensitivities. A simple approximate expression to estimate the required length ratio of the multimode fiber sections has also been derived whose prediction is found in good agreement with the experiment. The study should be useful in realizing various fiber optic devices based on multimode interference with zero temperature cross sensitivity.

  11. Analytical model and new structure of the enhancement-mode polarization-junction HEMT with vertical conduction channel

    NASA Astrophysics Data System (ADS)

    Yang, Chao; Xiong, Jiayun; Wei, Jie; Wu, Junfeng; Peng, Fu; Deng, Siyu; Zhang, Bo; Luo, Xiaorong

    2016-04-01

    A novel enhancement-mode (E-mode) polarization-junction HEMT with vertical conduction channel (PVC-HEMT) is proposed, and its analytical model for threshold voltage (Vth) is presented. It has two features: one is GaN/AlGaN/GaN double hetero-structure, the other is that source and drain locate at the same side of trench-type MOS gate (T-gate), and the source contacts with the T-gate, which forms vertical conduction channel (VC). The 2-D hole gas (2-DHG) and 2-D electron gas (2-DEG) are formed at the GaN-top/AlGaN and AlGaN/GaN-buffer interface, respectively, forming the polarization-junction. First, the E-mode operation is realized because 2-DHG under the source prevents the electrons injecting from source to 2-DEG, breaking through the conventional E-mode method by depleting 2-DEG under the gate. Second, a uniform electric field (E-field) distribution is achieved due to the assisted depletion effect by polarization-junction. Third, the source reduces the E-field peak at the T-gate side and modulates the E-field distribution. The breakdown voltage (BV) of PVC-HEMT is 705 V and specific ON-resistance (RON,sp) is 1.18 mΩ cm2. Compared with conventional HEMT (C-HEMT), PVC-HEMT has a smaller size due to the special location of the source and T-gate. An analytic threshold voltage model is presented and the analytical results agree well with the simulated results.

  12. Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.

    PubMed

    Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais

    2010-02-28

    The combination of tectons based on the [1111]metacyclophane backbone blocked the 1,3-alternate conformation bearing two imidazoly or pyrazolyl groups located on the same side with metal halide complexes leads to the formation of either discrete metallmacrobicycles or infinite 1-D coordination networks. The same backbone bearing two sets of two different coordinating poles composed of two pyridyl and two pyrazolyl units, owing to its non-centrosymmetric nature, forms a directional 2-D network packed in an anti-parallel fashion.

  13. Synthesis, structure and temperature-depended 2D IR correlation spectroscopy of an organo-bismuth benzoate with 1,10-phenanthroline

    NASA Astrophysics Data System (ADS)

    Sun, Yan-Qiong; Zhong, Jie-Cen; Liu, Le-Hui; Qiu, Xing-Tai; Chen, Yi-Ping

    2016-11-01

    An organo-bismuth benzoate with phen as auxiliary ligand, [Bi(phen)(C6H5COO)(C6H4COO)] (1) (phen = 1,10-phenanthroline) has been hydrothermally synthesized from bismuth nitrate, 2-mercaptonbenzoic acid with phen as auxiliary ligand and characterized by single-crystal X-ray diffraction, elemental analyses, PXRD, IR spectra, TG analyses, temperature-depended 2D-IR COS (two-dimensional infrared correlation spectroscopy). Interestingly, benzoate anions in 1 came from the desulfuration reaction of 2-mercaptonbenzoic acid under hydrothermal condition. Compound 1 is a discrete organo-bismuth compound with benzoate and phen ligands. The offset face-to-face π-π stacking interactions and C-H⋯O hydrogen bonds link the isolate complex into a 3D supramolecular network. The temperature-depended 2D-IR COS indicates that the stretching vibrations of Cdbnd C/Cdbnd N of aromatic rings and Cdbnd O bonds are sensitive to the temperature change.

  14. Investigation of fast particle driven instabilities by 2D electron cyclotron emission imaging on ASDEX Upgrade

    NASA Astrophysics Data System (ADS)

    Classen, I. G. J.; Lauber, Ph; Curran, D.; Boom, J. E.; Tobias, B. J.; Domier, C. W.; Luhmann, N. C., Jr.; Park, H. K.; Garcia Munoz, M.; Geiger, B.; Maraschek, M.; Van Zeeland, M. A.; da Graça, S.; ASDEX Upgrade Team

    2011-12-01

    Detailed measurements of the 2D mode structure of Alfvén instabilities in the current ramp-up phase of neutral beam heated discharges were performed on ASDEX Upgrade, using the electron cyclotron emission imaging (ECEI) diagnostic. This paper focuses on the observation of reversed shear Alfvén eigenmodes (RSAEs) and bursting modes that, with the use of the information from ECEI, have been identified as beta-induced Alfvén eigenmodes (BAEs). Both RSAEs with first and second radial harmonic mode structures were observed. Calculations with the linear gyro-kinetic code LIGKA revealed that the ratio of the damping rates and the frequency difference between the first and second harmonic modes strongly depended on the shape of the q-profile. The bursting character of the BAE type modes, which were radially localized to rational q surfaces, was observed to sensitively depend on the plasma parameters, ranging from strongly bursting to almost steady state.

  15. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  16. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  17. 2D to 3D transition of polymeric carbon nitride nanosheets

    SciTech Connect

    Chamorro-Posada, Pedro; Vázquez-Cabo, José; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

    2014-11-15

    The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

  18. 2D depiction of nonbonding interactions for protein complexes.

    PubMed

    Zhou, Peng; Tian, Feifei; Shang, Zhicai

    2009-04-30

    A program called the 2D-GraLab is described for automatically generating schematic representation of nonbonding interactions across the protein binding interfaces. The input file of this program takes the standard PDB format, and the outputs are two-dimensional PostScript diagrams giving intuitive and informative description of the protein-protein interactions and their energetics properties, including hydrogen bond, salt bridge, van der Waals interaction, hydrophobic contact, pi-pi stacking, disulfide bond, desolvation effect, and loss of conformational entropy. To ensure these interaction information are determined accurately and reliably, methods and standalone programs employed in the 2D-GraLab are all widely used in the chemistry and biology community. The generated diagrams allow intuitive visualization of the interaction mode and binding specificity between two subunits in protein complexes, and by providing information on nonbonding energetics and geometric characteristics, the program offers the possibility of comparing different protein binding profiles in a detailed, objective, and quantitative manner. We expect that this 2D molecular graphics tool could be useful for the experimentalists and theoreticians interested in protein structure and protein engineering.

  19. MEMS Reliability: Infrastructure, Test Structures, Experiments, and Failure Modes

    SciTech Connect

    TANNER,DANELLE M.; SMITH,NORMAN F.; IRWIN,LLOYD W.; EATON,WILLIAM P.; HELGESEN,KAREN SUE; CLEMENT,J. JOSEPH; MILLER,WILLIAM M.; MILLER,SAMUEL L.; DUGGER,MICHAEL T.; WALRAVEN,JEREMY A.; PETERSON,KENNETH A.

    2000-01-01

    The burgeoning new technology of Micro-Electro-Mechanical Systems (MEMS) shows great promise in the weapons arena. We can now conceive of micro-gyros, micro-surety systems, and micro-navigators that are extremely small and inexpensive. Do we want to use this new technology in critical applications such as nuclear weapons? This question drove us to understand the reliability and failure mechanisms of silicon surface-micromachined MEMS. Development of a testing infrastructure was a crucial step to perform reliability experiments on MEMS devices and will be reported here. In addition, reliability test structures have been designed and characterized. Many experiments were performed to investigate failure modes and specifically those in different environments (humidity, temperature, shock, vibration, and storage). A predictive reliability model for wear of rubbing surfaces in microengines was developed. The root causes of failure for operating and non-operating MEMS are discussed. The major failure mechanism for operating MEMS was wear of the polysilicon rubbing surfaces. Reliability design rules for future MEMS devices are established.

  20. Electrical Conductivity Beneath the Andean Back-arc in Argentina Near 36.5°S: Creation of Minimum Structure 2D Model Across EW Transect Based on Significantly 3D Data

    NASA Astrophysics Data System (ADS)

    Burd, A.; Booker, J.; Favetto, A.; Pomposiello, M.; Giordanengo, G.; Larsen, J. C.

    2006-12-01

    S. Mendoza Province, south of the Nazca flat slab, has widespread recent basaltic volcanism, but no historic activity. Over the last 1 MY, the basalt has evolved from having a slab signature to OIB. In early 2005, we collected 18 MT sites from 67 to 70°W along 36.7°S, near the large caldera Payún Matrú. Significantly 3D data cause difficulty identifying regional strike and performing minimum structure 2D inversions. Use of phase tensors and induction vectors allow identification of possible regional strikes. Various starting models for the minimum structure inversion allow comparison of effect of different regional strikes on the resulting electrical conductivity models. Preliminary analysis of a piecewise-2D region at the center of the profile suggests the west end of the profile to contain lower crustal to upper mantle conductivity which decreases and deepens to the east.

  1. Molecular tectonics: generation and structural studies on 1- and 2D coordination networks based on a meta-cyclophane in 1,3-alternate conformation bearing four pyrazolyl units and cobalt, zinc and copper cations.

    PubMed

    Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais

    2009-08-28

    The combination of a [1111] metacyclophane blocked in 1,3-alternate conformation and bearing four pyrazolyl coordinating units with MX(2) (M = Co, Zn and X = Cl or Br) leads to the formation of crystals formed by packing of 2D coordination networks. In the case of CuBr(2), the formation of a 1D network was observed. Structural studies by X-ray diffraction methods on single crystals were performed on all cases reported.

  2. Higher modes in the coupling cells of coaxial and annular-ring coupled linac structures

    SciTech Connect

    Hoffswell, R.A.; Laszewski, R.M.

    1983-08-01

    Dipole- and quadrupole-like modes in the coupling cells of coaxial and annular-ring coupled structures have been examined up to a frequency of 4 GHz. The quadrupole mode frequencies appear to lie high enough above the frequency of the accelerating mode to make coupling between the two unlikely. In the annular-ring case, however, a dipole mode was found very near the accelerating mode frequency. Evidence is presented which suggests that some power may couple between these two modes in a real cavity.

  3. Tunneling mode in a frustrated total internal reflection structure with hyperbolic metamaterial

    NASA Astrophysics Data System (ADS)

    Luo, Li; Li, Chaoyang; Tang, Tingting

    2016-10-01

    We study the tunneling modes in a frustrated total internal reflection (FTIR) structure with hyperbolic metamaterial (HMM). The physical mechanism of tunneling mode is analyzed by the condition of general zero average permittivity. The influence of anisotropy, loss and dispersion of HMM on tunneling modes is discussed based on simulation results. Tunneling mode merging or splitting can be realized by adjusting the thickness of air or HMM. We can also find the absorption of HMM significantly reduces the transmittance peak of tunneling mode. When a recently reported HMM of ZnAlO/ZnO multilayer is introduced in the FTIR structure, the combined action of HMM loss and dispersion brings many small tunneling modes in the angular spectrum. The tunneling mode in the proposed structure can be used to design filters and wavelength selectors which may also have applications in wavelength de-multiplexing in optical communications.

  4. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density.

  5. Seismic Velocity Structure Across the Quebrada and Gofar Oceanic Transform Faults from 2D Refraction Tomography - A Comparison of Faults with High and Low Seismic Slip Deficits

    NASA Astrophysics Data System (ADS)

    Roland, E. C.; McGuire, J. J.; Collins, J. A.; Lizarralde, D.

    2009-12-01

    We perform two 2-D tomographic inversions using data collected as a part of the Quebrada-Discovery-Gofar (QDG) Transform Fault Active/Passive Experiment. The QDG transform faults are located in the southern Pacific Ocean and offset the East Pacific Rise (EPR) at approximately 4° south. In the spring of 2008, two ~100 km refraction profiles were collected, each using 8 short period Ocean Bottom Seismometers (OBS) from OBSIP and over 900 shots from the RV Marcus Langseth, across the easternmost segments of the Quebrada and Gofar transform faults. The two refraction profiles are modeled using a 2-D tomographic code that allows joint inversion of the Pg, PmP, and Pn arrivals (Korenaga et al., 2000). Variations in crustal velocity and thickness, as well as the width and depth extent of a significant low velocity zone within and below the transform valley provide some insight into the material properties of each of the fault-zones. Reduced seismic velocities that are 0.5 to over 1.0 km/s slower than velocities associated with the oceanic crust outside the fault zone may indicate the highly fractured fault zone lithology. The low velocity zone associated with the Quebrada fault also extends to the south of the active fault zone, beneath a fossil fault trace. Because Gofar is offset by an intratransform spreading center, we are able to compare ‘normal’ oceanic crust produced at the EPR to the south of the fault with crust associated with the ~15 km intratransform spreading center to the north. These two high slip rate (14 cm/yr) faults look similar morphologically and demonstrate comparable microseismicity characteristics, however their abilities to generate large earthquakes differ significantly. Gofar generates large earthquakes (Mw ~6) regularly every few years, but in the past 24 years only one large (Mw 5.6) event has been reliably located on Quebrada. The contrasting seismic behavior of these faults represents the range of behavior observed in the global

  6. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  7. Higher-order mode absorption measurement of X-band choke-mode cavities in a radial line structure

    NASA Astrophysics Data System (ADS)

    Zha, Hao; Shi, Jiaru; Wu, Xiaowei; Chen, Huaibi

    2016-04-01

    An experiment is presented to study the higher-order mode (HOM) suppression of X-band choke-mode structures with a vector network analyzer (VNA). Specific radial line disks were built to test the reflection from the corresponding damping load and different choke geometries. The mismatch between the radial lines and the VNA was calibrated through a special multi-short-load calibration method. The measured reflections of different choke geometries showed good agreement with the theoretical calculations and verified the HOM absorption feature of each geometric design.

  8. An Innovative Structural Mode Selection Methodology: Application for the X-33 Launch Vehicle Finite Element Model

    NASA Technical Reports Server (NTRS)

    Hidalgo, Homero, Jr.

    2000-01-01

    An innovative methodology for determining structural target mode selection and mode selection based on a specific criterion is presented. An effective approach to single out modes which interact with specific locations on a structure has been developed for the X-33 Launch Vehicle Finite Element Model (FEM). We presented Root-Sum-Square (RSS) displacement method computes resultant modal displacement for each mode at selected degrees of freedom (DOF) and sorts to locate modes with highest values. This method was used to determine modes, which most influenced specific locations/points on the X-33 flight vehicle such as avionics control components, aero-surface control actuators, propellant valve and engine points for use in flight control stability analysis and for flight POGO stability analysis. Additionally, the modal RSS method allows for primary or global target vehicle modes to also be identified in an accurate and efficient manner.

  9. Global structure of mirror modes in the magnetosheath

    SciTech Connect

    Johnson, J.R.; Cheng, C.Z.

    1996-11-01

    A global stability analysis of mirror modes in the magnetosheath is presented. The analysis is based upon the kinetic-MHD formulation which includes relevant kinetic effects such as Landau resonance and gradient drift effects related to inhomogeneities in the background density, temperature, pressure and its anisotropy, magnetic field, and plasma flow velocity. Pressure anisotropy provides the free energy for the global mirror mode. The local theory of mirror modes predicts purely growing modes confined in the unstable magnetosheath region; however, the nonlocal theory that includes the effects of gradients and plasma flow predicts modes with real frequencies which propagate with the flow from the magnetosheath toward the magnetopause boundary. The real frequency is on the order of a combination of the diamagnetic drift frequency and the Doppler shift frequency associated with plasma flow. The diamagnetic drift frequency provides a wave phase velocity in the direction of the magnetopause so that wave energy accumulates against the magnetopause boundary, and the amplitude is skewed in that direction. On the other hand, plasma flow also gives rise to a real phase velocity, but the phase velocity is smaller than the flow velocity. As a result, the wave amplitude is increased in the wake of the plasma flow and piles up against the bow shock boundary.

  10. Liquid level sensor based on fiber ring laser with single-mode-offset coreless-single-mode fiber structure

    NASA Astrophysics Data System (ADS)

    Wang, Zixiao; Tan, Zhongwei; Xing, Rui; Liang, Linjun; Qi, Yanhui; Jian, Shuisheng

    2016-10-01

    A novel reflective liquid level sensor based on single-mode-offset coreless-single-mode (SOCS) fiber structure is proposed and experimentally demonstrated. Theory analyses and experimental results indicate that offset fusion can remarkably enhance the sensitivity of sensor. Ending-reflecting structure makes the sensor compact and easy to deploy. Meanwhile, we propose a laser sensing system, and the SOCS structure is used as sensing head and laser filter simultaneously. Experimental results show that laser spectra with high optical signal-to-noise ratio (-30 dB) and narrow 3-dB bandwidth (<0.15 nm) are achieved. Various liquids with different indices are used for liquid level sensing, besides, the refractive index sensitivity is also investigated. In measurement range, the sensing system presents steady laser output.

  11. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  12. Material characterization of structural adhesives in the lap shear mode

    NASA Technical Reports Server (NTRS)

    Sancaktar, E.; Schenck, S. C.

    1983-01-01

    A general method for characterizing structual adhesives in the bonded lap shear mode is proposed. Two approaches in the form of semiempirical and theoretical approaches are used. The semiempirical approach includes Ludwik's and Zhurkov's equations to describe respectively, the failure stresses in the constant strain rate and constant stress loading modes with the inclusion of the temperature effects. The theoretical approach is used to describe adhesive shear stress-strain behavior with the use of viscoelastic or nonlinear elastic constitutive equations. Two different model adhesives are used in the single lap shear mode with titanium adherends. These adhesives (one of which was developed at NASA Langley Research Center) are currently considered by NASA for possible aerospace applications. Use of different model adhesives helps in assessment of the generality of the method.

  13. Basement blocks and basin inversion structures mapped using reprocessed Gulfrex 2D seismic data, Caribbean-South American oblique collisional zone

    NASA Astrophysics Data System (ADS)

    Escalona, A.; Sena, A.; Mann, P.

    2003-12-01

    We have reprocessed and reinterpreted more than 10,000 km of "Gulfrex" multi-channel 2D seismic reflection lines collected by Gulf Oil Corporation in 1972 along the northern margin of South America (offshore Venezuela and Trinidad). These digital data were donated to the University of Texas Institute for Geophysics and represent the largest single, digital reflection survey of the region. Reprocessing of these data included: format correction, filtering, post-stack multiple suppression, and fk migration. Reprocessed data were loaded and interpreted on a workstation. The data straddle a 2,000,000 km2 zone of Paleocene-Recent, time-transgressive, oblique collision between the Caribbean arc system and the passive continental margin of northern South America. Free-air, satellite gravity data shows the remarkable 1000-km-scale continuity of four basement ridges between the uncollided part of the Caribbean arc system (NS-trending Lesser Antilles arc) and the EW-trending collisional area north of Venezuela. The basement ridges involved in the Venezuelan collisional zone include: 1) Aruba-Bonaire-Curacao ridge that can be traced as a continuous feature to the Aves ridge remnant arc of the Lesser Antilles; 2) the partially inverted Blanquilla-Bonaire basin that can be traced into the Grenada back-arc basin; 3) Margarita-Los Testigos platform that can be traced to the Lesser Antilles volcanic arc; and 4) foreland basins and fold-thrust belts of eastern Venezuela (Serrania del Interior and Maturin basin) that can be traced to the Tobago forearc basin and Barbados accretionary prism. Gulfrex data document the progressive change of basinal fault systems from NS-striking normal faults formed in extensional, Lesser Antilles intra-arc settings to rotated and inverted, NE and EW-striking normal faults deformed in the collisional area north of Venezuela. Age of initial shortening of basinal areas and inversion of normal faults setting does not follow the simple, expected pattern of

  14. Predicting modes of toxic action from chemical structure

    EPA Science Inventory

    Like many of the papers in the ET&C top 100 list, the development of the fathead minnow database and the assignment of modes of action to the 617 chemicals therein was the result of a comprehensive research effort by a multidisciplinary team of researchers with expertise in quant...

  15. Observation of Protein Structural Vibrational Mode Sensitivity to Ligand Binding

    NASA Astrophysics Data System (ADS)

    Niessen, Katherine; Xu, Mengyang; Snell, Edward; Markelz, Andrea

    2014-03-01

    We report the first measurements of the dependence of large-scale protein intramolecular vibrational modes on ligand binding. These collective vibrational modes in the terahertz (THz) frequency range (5-100 cm-1) are of great interest due to their predicted relation to protein function. Our technique, Crystals Anisotropy Terahertz Microscopy (CATM), allows for room temperature, table-top measurements of the optically active intramolecular modes. CATM measurements have revealed surprisingly narrowband features. CATM measurements are performed on single crystals of chicken egg-white lysozyme (CEWL) as well as CEWL bound to tri-N-acetylglucosamine (CEWL-3NAG) inhibitor. We find narrow band resonances that dramatically shift with binding. Quasiharmonic calculations are performed on CEWL and CEWL-3NAG proteins with CHARMM using normal mode analysis. The expected CATM response of the crystals is then calculated by summing over all protein orientations within the unit cell. We will compare the CATM measurements with the calculated results and discuss the changes which arise with protein-ligand binding. This work is supported by NSF grant MRI 2 grant DBI2959989.

  16. Highly damped quasinormal modes and the small scale structure of quantum corrected black hole exteriors

    SciTech Connect

    Babb, James; Kunstatter, Gabor; Daghigh, Ramin

    2011-10-15

    Quasinormal modes provide valuable information about the structure of spacetime outside a black hole. There is also a conjectured relationship between the highly damped quasinormal modes and the semiclassical spectrum of the horizon area/entropy. In this paper, we show that for spacetimes characterized by more than one scale, the 'infinitely damped' modes in principle probe the structure of spacetime outside the horizon at the shortest length scales. We demonstrate this with the calculation of the highly damped quasinormal modes of the nonsingular, single-horizon, quantum corrected black hole derived in [A. Peltola and G. Kunstatter, Phys. Rev. D 79, 061501 (2009); ].

  17. Subsurface structure and tectonic style of the NE Outer Carpathians (Poland) on the basis of integrated 2D interpretation of geological and geophysical images

    NASA Astrophysics Data System (ADS)

    Kuśmierek, Jan

    2010-02-01

    Integration of the information from surface and subsurface geological exploration (maps and well sections) and results of geological reinterpretation of more than ten archival seismic sections and several dozen magnetotelluric soundings (MT; published and archival) implies a new structural picture of the Carpathian tectogene, interpreted to depths exceeding 10 km. The tectonics of nappes and their basement is illustrated by four regional cross-sections (derived from geological and petroleum-exploration traverses) and examples of detailed interpretation of zones with complicated structure, as well as results of testing the initial structural models with application of the balanced cross-section method and gravimetric modelling. In the tectonics, a complicated system of overthrusts and detachments of sedimentary covers (from their heterogeneous basement) represents a predominant feature. It induced, within particular nappes and tectonically altered structural-facies units, specific systems of narrow folds with diversified geometries. Broad folds of the intermediate structural stage, which are gently sloping in the hinterland of the nappes, were interpreted on the basis of geophysics as paraautochthonous elements. They cover deep-seated faults with large throws, which obliquely or subvertically dip to the SW and were distinguished in the basement on the grounds of extreme contrasts at the resistivity boundaries. Zones of dramatically low resistivities, which separate blocks of the uplifted basement, were interpreted as tectonic sutures with geometry rebuilt in the stage of the Neogene lithosphere subduction. Therefore, the structural layout of the sedimentary cover is characterized by more gently dipping nappe overthrusts of the sequential type and secondary, out-of-sequence thrust slices, most frequently imbricate ones. The flysch covers resting over the tectonic sutures, particularly in margins of inherited structural depressions, are characterized by more

  18. Fabrication and investigation of 1D and 2D structures in LiNbO 3 thin films by pulsed laser ablation

    NASA Astrophysics Data System (ADS)

    Meriche, F.; Boudrioua, A.; Kremer, R.; Dogheche, E.; Neiss-Clauss, E.; Mouras, R.; Fischer, A.; Beghoul, M.-R.; Fogarassy, E.; Boutaoui, N.

    2010-09-01

    Lithium niobate thin films were deposited on sapphire substrate by radio-frequency magnetron sputtering technique. One and two dimensional structures have been made using a KrF excimer laser at 248 nm and 6 ns pulse width, under various conditions of ablation, in order to assess the applicability of laser direct-writing of photonic waveguides. The optical and waveguiding properties of LiNbO 3 thin films were studied by prism-coupling technique, while micro-Raman spectroscopy was used for structural and composition characterization, as well as laser processing mechanism investigation. The surface morphology of the processed structures was obtained by a Nomarski optical microscope, an atomic force microscope and a White Light Interferometer Microscope.

  19. Solution structure of the 45-residue MgATP-binding peptide of adenylate kinase as examined by 2-D NMR, FTIR, and CD spectroscopy.

    PubMed

    Fry, D C; Byler, D M; Susi, H; Brown, E M; Kuby, S A; Mildvan, A S

    1988-05-17

    The structure of a synthetic peptide corresponding to residues 1-45 of rabbit muscle adenylate kinase has been studied in aqueous solution by two-dimensional NMR, FTIR, and CD spectroscopy. This peptide, which binds MgATP and is believed to represent most of the MgATP-binding site of the enzyme [Fry, D.C., Kuby, S.A., & Mildvan, A.S. (1985) Biochemistry 24, 4680-4694], appears to maintain a conformation similar to that of residues 1-45 in the X-ray structure of intact porcine adenylate kinase [Sachsenheimer, W., & Schulz, G.E. (1977) J. Mol. Biol. 114, 23-26], with 42% of the residues of the peptide showing NOEs indicative of phi and psi angles corresponding to those found in the protein. The NMR studies suggest that the peptide is composed of two helical regions of residues 4-7 and 23-29, and three stretches of beta-strand at residues 8-15, 30-32, and 35-40, yielding an overall secondary structure consisting of 24% alpha-helix, 38% beta-structure, and 38% aperiodic. Although the resolution-enhanced amide I band of the peptide FTIR spectrum is broad and rather featureless, possibly due to disorder, it can be fit by using methods developed on well-characterized globular proteins. On this basis, the peptide consists of 35 +/- 10% beta-structure, 60 +/- 12% turns and aperiodic structure, and not more than 10% alpha-helix. The CD spectrum is best fit by assuming the presence of at most 13% alpha-helix in the peptide, 24 +/- 2% beta-structure, and 66 +/- 4% aperiodic. The inability of the high-frequency FTIR and CD methods to detect helices in the amount found by NMR may result from the short helical lengths as well as from static and dynamic disorder in the peptide. Upon binding of MgATP, numerous conformational changes in the backbone of the peptide are detected by NMR, with smaller alterations in the overall secondary structure as assessed by CD. Detailed assignments of resonances in the peptide spectrum and intermolecular NOEs between protons of bound MgATP and

  20. Optical fiber magnetic field sensor based on single-mode-multimode-single-mode structure and magnetic fluid.

    PubMed

    Chen, Yaofei; Han, Qun; Liu, Tiegen; Lan, Xinwei; Xiao, Hai

    2013-10-15

    An optical fiber magnetic field sensor based on the single-mode-multimode-single-mode (SMS) structure and magnetic fluid (MF) is proposed and demonstrated. By using a piece of no-core fiber as the multimode waveguide in the SMS structure and MF sealed in a capillary tube as the magnetic sensitive media, which totally immersing the no-core fiber, an all-fiber magnetic sensor was fabricated. Interrogation of the magnetic field strength can be achieved either by measuring the dip wavelength shift of the transmission spectrum or by detecting the transmission loss at a specific wavelength. A demonstration sensor with sensitivities up to 905 pm/mT and 0.748 dB/mT was fabricated and investigated. A theoretical model for the design of the proposed device was developed and numerical simulations were performed.

  1. Syntheses, structures and properties of two 2-D layered hybrid organic-inorganic materials based on different V4O12 building units.

    PubMed

    Hou, Wentao; Guo, Jiuyu; Xu, Xiao; Wang, Zuoxiang; Zhang, Deng; Wan, Hongxiang; Song, You; Zhu, Dunru; Xu, Yan

    2014-01-14

    Two new layered hybrid organic-inorganic compounds [Zn(pyim)]2V4O12 () (pyim = 2-(2-pyridyl)imidazole) and [Cu(bim)2]2V4O12(H2O)·CH3CH2OH () (bim = bis(1-imidazolyl)methane) based on polyoxovanadates (POVs) and organic ligands decorated transition metal units have been synthesized by hydrothermal and solvothermal methods respectively. Single crystal XRD, fluorescence spectrum, magnetic measurement, IR spectra, powder XRD and thermogravimetric (TG) measurements were performed to analyze the structures and properties of and . The structural analysis reveals that compound features a two-dimensional {[Zn(pyim)]2V4O12}n layered structure, constructed by sine wave-like {V4O12}n(4n-) chains, Zn(2+) ions and pyim ligands. In the layered structure of , {V4O12}(4-) circles are connected by Cu(2+) ions to form {Cu(V4O12)}n(2n-) chains, which are further linked by {Cu(bim)4}(2+) subunits to generate a hybrid layer of . The magnetic susceptibility measurement indicates strong antiferromagnetic interactions between Cu(2+) ions in .

  2. Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes.

    PubMed

    McPhail, Brooks; Tie, Yunfeng; Hong, Huixiao; Pearce, Bruce A; Schnackenberg, Laura K; Ge, Weigong; Valerio, Luis G; Fuscoe, James C; Tong, Weida; Buzatu, Dan A; Wilkes, Jon G; Fowler, Bruce A; Demchuk, Eugene; Beger, Richard D

    2012-03-15

    An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals--drugs, pesticides, and environmental pollutants--interact at the level of metabolic biotransformations mediated by cytochrome P450 (CYP) enzymes. In the present work, spectral data-activity relationship (SDAR) and structure-activity relationship (SAR) approaches were used to develop machine-learning classifiers of inhibitors and non-inhibitors of the CYP3A4 and CYP2D6 isozymes. The models were built upon 602 reference pharmaceutical compounds whose interactions have been deduced from clinical data, and 100 additional chemicals that were used to evaluate model performance in an external validation (EV) test. SDAR is an innovative modeling approach that relies on discriminant analysis applied to binned nuclear magnetic resonance (NMR) spectral descriptors. In the present work, both 1D ¹³C and 1D ¹⁵N-NMR spectra were used together in a novel implementation of the SDAR technique. It was found that increasing the binning size of 1D ¹³C-NMR and ¹⁵N-NMR spectra caused an increase in the tenfold cross-validation (CV) performance in terms of both the rate of correct classification and sensitivity. The results of SDAR modeling were verified using SAR. For SAR modeling, a decision forest approach involving from 6 to 17 Mold2 descriptors in a tree was used. Average rates of correct classification of SDAR and SAR models in a hundred CV tests were 60% and 61% for CYP3A4, and 62% and 70% for CYP2D6, respectively. The rates of correct classification of SDAR and SAR models in the EV test were 73% and 86% for CYP3A4, and 76% and 90% for CYP2D6, respectively. Thus, both SDAR and SAR methods demonstrated a comparable performance in modeling a large set of structurally diverse data. Based on unique NMR structural descriptors, the new SDAR modeling method complements the existing SAR

  3. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  4. Extensions of 2D gravity

    SciTech Connect

    Sevrin, A.

    1993-06-01

    After reviewing some aspects of gravity in two dimensions, I show that non-trivial embeddings of sl(2) in a semi-simple (super) Lie algebra give rise to a very large class of extensions of 2D gravity. The induced action is constructed as a gauged WZW model and an exact expression for the effective action is given.

  5. Analyses and tests of the B-1 aircraft structural mode control system

    NASA Technical Reports Server (NTRS)

    Wykes, J. H.; Byar, T. R.; Macmiller, C. J.; Greek, D. C.

    1980-01-01

    Analyses and flight tests of the B-1 structural mode control system (SMCS) are presented. Improvements in the total dynamic response of a flexible aircraft and the benefits to ride qualities, handling qualities, crew efficiency, and reduced dynamic loads on the primary structures, were investigated. The effectiveness and the performance of the SMCS, which uses small aerodynamic surfaces at the vehicle nose to provide damping to the structural modes, were evaluated.

  6. Radial structures and nonlinear excitation of geodesic acoustic modes

    NASA Astrophysics Data System (ADS)

    Zonca, F.; Chen, L.

    2008-08-01

    Geodesic acoustic modes (GAM) are shown to constitute a continuous spectrum due to radial inhomogeneities. The importance and theoretical as well as experimental implications of this fact are discussed in this work. The existence of a singular layer causes GAM to mode convert to short-wavelength kinetic GAM (KGAM) via finite ion Larmor radii; analogous to kinetic Alfvén waves (KAW). Furthermore, it is shown that KGAM can be nonlinearly excited by drift-wave (DW) turbulence via 3-wave parametric interactions, and the resultant driven-dissipative nonlinear system exhibits typical prey-predator self-regulatory dynamics, consistent with recent experimental observations on HL-2A. The degeneracy of GAM/KGAM with beta-induced Alfvén eigenmodes (BAE) is demonstrated and discussed, with emphasis on its important role in the complex self-organized behaviors of burning plasmas.

  7. Shear Alfv'en spectrum and mode structures for 3D configurations

    NASA Astrophysics Data System (ADS)

    Spong, D. A.; Todo, Y.

    2007-11-01

    Energetic particle destabilized Alfv'en modes are observed in a wide range of stellarator experiments. We have developed a code (AE3D) to calculate the full shear Alfv'en frequency spectrum and associated mode structures for arbitrary stellarator equilibria. This is based on a Galerkin approach using a combined Fourier mode (poloidal/toroidal angle) finite element (radial) representation. It has been applied to an LHD case where Alfv'en activity and enhanced ion losses were seen. Applications also are underway to other experiments, such as HSX, where ECH-driven Alfv'en modes were observed. This model can form the basis for stellarator optimization targets, synthetic diagnostics, and reduced linear/nonlinear stability models. It is also applicable to tokamaks with symmetry-breaking effects. By matching observed frequencies with calculated mode structures, improved understanding of the physics mechanisms of AE modes, such as sideband coupling, damping, and enhanced fast particle losses can be developed.

  8. Component mode synthesis approach for quantum mechanical electrostatic and transport analysis of nanoscale structures and devices

    NASA Astrophysics Data System (ADS)

    Gao, Zhe

    As the dimensions of commonly used semiconductor devices have shrunk into nanometer regime, it is recognized that the influence of quantum effects on their electrostatic and transport properties cannot be ignored. In the past few decades, various computational models and approaches have been developed to analyze these properties in nanostructures and devices. Among these computational models, the Schrodinger-Poisson model has been widely adopted for quantum mechanical electrostatic and transport analysis of nanostructures and devices such as quantum wires, metal--oxide--semiconductor field effect transistors (MOSFETs) and nanoelectromechanical systems (NEMS). The numerical results allow for evaluations of the electrical properties such as charge concentration and potential profile in these structures. The emergence of MOSFETs with multiple gates, such as Trigates, FinFETs and Pi-gates, offers a superior electrostatic control of devices by the gates, which can be therefore used to reduce the short channel effects within those devices. Full 2-D electrostatic and transport analysis enables a better understanding of the scalability of devices, geometric effects on the potential and charge distribution, and transport characteristics of the transistors. The Schrodinger-Poisson model is attractive due to its simplicity and straightforward implementation by using standard numerical methods. However, as it is required to solve a generalized eigenvalue problem generated from the discretization of the Schrodinger equation, the computational cost of the analysis increases quickly when the system's degrees of freedom (DOFs) increase. For this reason, techniques that enable an efficient solution of discretized Schrodinger equation in multidimensional domains are desirable. In this work, we seek to accelerate the numerical solution of the Schrodinger equation by using a component mode synthesis (CMS) approach. In the CMS approach, a nanostructure is divided into a set of

  9. Structural determination of prunusins A and B, new C-alkylated flavonoids from Prunus domestica, by 1D and 2D NMR spectroscopy.

    PubMed

    Mahmood, Azhar; Fatima, Itrat; Kosar, Shaheen; Ahmed, Rehana; Malik, Abdul

    2010-02-01

    Prunusins A (1) and B (2), the new C-alkylated flavonoids, have been isolated from the seed kernels of Prunus domestica. Their structures were assigned from (1)H and (13)C nuclear magnetic resonating spectra, DEPT and by correlation spectroscopy, HMQC and HMBC experiments. 3, 5, 7, 4'-Tetrahydroxyflavone (3) and 3, 5, 7-trihydroxy-8, 4'-dimethoxyflavone (4) have also been reported from this species. Both compounds (1) and (2) showed significant antifungal activity against pathogenic fungus Trichophyton simmi.

  10. Integrated well log and 2-D seismic data interpretation to image the subsurface stratigraphy and structure in north-eastern Bornu (Chad) basin

    NASA Astrophysics Data System (ADS)

    Isyaku, Aminu A.; Rust, Derek; Teeuw, Richard; Whitworth, Malcolm

    2016-09-01

    Structural and stratigraphic mapping within the Bornu Basin in north east Nigeria was commonly carried out using traditional field geological methods. However, such traditional approaches remain inadequate in the semi-arid region characterised by topographically flat areas and lack of continuous bedrock outcrops that are mostly concealed beneath sand cover. Previous studies in the north-eastern part of the basin carried out using ditch cuttings from few wells and disconnected seismic data were largely inadequate and the resulting stratigraphic analyses were more often generalised. This paper presents an integrated structural and stratigraphic study of the basin using combined subsurface geophysical datasets. A Combined Log Pattern (CLP) method is a well log analysis, which utilises various well log data including gamma ray, resistivity, bulk density and sonic logs to identify lithology and stratigraphic boundaries of subsurface formations. This method is applied to constrain the subsurface stratigraphy of the north-eastern part of the Bornu Basin bordering the Lake Chad. In addition to qualitative combined well log analysis, the time-depth relationship of the sonic log and seismic data was quantitatively determined by tying a well with an intersecting seismic section to validate the stratigraphic facies horizons identified. Four well log facies and their environments of deposition were characterised from the combined well log analysis of the different log types. It is discovered that the Cretaceous basement structural features controlled the deposition of overlying formations in the basin. Without intact core data, the shallower wells were discovered to have bottomed over subsurface horst features while deeper wells penetrated into the basal facies contained mainly within the grabens. Main subsurface structural lineaments in the area include NW-SE, NE-SW and NNW-SSE trending faults, which mainly formed the horst and graben features. Some stratigraphic formations

  11. Magnetic structure and domain conversion of the quasi-2D frustrated antiferromagnet CuCrO{sub 2} probed by NMR

    SciTech Connect

    Sakhratov, Yu. A.; Svistov, L. E.; Kuhns, P. L.; Zhou, H. D.; Reyes, A. P.

    2014-11-15

    We have carried out {sup 63,65}Cu NMR spectra measurements in a magnetic field up to about 15.5 T on a single crystal of the multiferroic triangular-lattice antiferromagnet CuCrO{sub 2}. The measurements were performed for perpendicular and parallel orientations of the magnetic field with respect to the c axis of the crystal, and the detailed angle dependence of the spectra on the magnetic field direction in the ab plane was studied. The shape of the spectra can be well described in the model of spiral spin structure proposed by recent neutron diffraction experiments. When the field is rotated perpendicular to the crystal c axis, we observed, directly for the first time, a remarkable reorientation of the spin plane simultaneous with rotation of the incommensurate wavevector, by quantitatively deducing the conversion of the energetically less favorable domain to a more favorable one. At high enough fields parallel to the c axis, the data are consistent with either a field-induced commensurate spiral magnetic structure or an incommensurate spiral magnetic structure with a disorder in the c direction, suggesting that high fields may have influence on interplanar ordering.

  12. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  13. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  14. Anisotropic 2D Materials for Tunable Hyperbolic Plasmonics.

    PubMed

    Nemilentsau, Andrei; Low, Tony; Hanson, George

    2016-02-12

    Motivated by the recent emergence of a new class of anisotropic 2D materials, we examine their electromagnetic modes and demonstrate that a broad class of the materials can host highly directional hyperbolic plasmons. Their propagation direction can be manipulated on the spot by gate doping, enabling hyperbolic beam reflection, refraction, and bending. The realization of these natural 2D hyperbolic media opens up a new avenue in dynamic control of hyperbolic plasmons not possible in the 3D version.

  15. The Growth Mechanism of Transition Metal Dichalcogenides by using Sulfurization of Pre-deposited Transition Metals and the 2D Crystal Hetero-structure Establishment

    PubMed Central

    Wu, Chong-Rong; Chang, Xiang-Rui; Wu, Chao-Hsin; Lin, Shih-Yen

    2017-01-01

    A growth model is proposed for the large-area and uniform MoS2 film grown by using sulfurization of pre-deposited Mo films on sapphire substrates. During the sulfurization procedure, the competition between the two mechanisms of the Mo oxide segregation to form small clusters and the sulfurization reaction to form planar MoS2 film is determined by the amount of background sulfur. Small Mo oxide clusters are observed under the sulfur deficient condition, while large-area and complete MoS2 films are obtained under the sulfur sufficient condition. Precise layer number controllability is also achieved by controlling the pre-deposited Mo film thicknesses. The drain currents in positive dependence on the layer numbers of the MoS2 transistors with 1-, 3- and 5- layer MoS2 have demonstrated small variation in material characteristics between each MoS2 layer prepared by using this growth technique. By sequential transition metal deposition and sulfurization procedures, a WS2/MoS2/WS2 double hetero-structure is demonstrated. Large-area growth, layer number controllability and the possibility of hetero-structure establishment by using sequential metal deposition and following sulfurization procedures have revealed the potential of this growth technique for practical applications. PMID:28176836

  16. Cornered Quadtrees/Octrees and Multiple Gateways Between Each Two Nodes; A Structure for Path Planning in 2D and 3D Environments

    NASA Astrophysics Data System (ADS)

    Namdari, Mohammad Hasan; Hejazi, Seyed Reza; Palhang, Maziar

    2016-06-01

    In this paper, modified versions of quadtree/octree, as structures used in path planning, are proposed which we call them cornered quadtree/octree. Also a new method of creating paths in quadtrees/octrees, once quadrants/octants to be passed are determined, is proposed both to improve traveled distance and path smoothness. In proposed modified versions of quadtree/octree, four corner cells of quadrants and eight corner voxels of octants are also considered as nodes of the graph to be searched for finding the shortest path. This causes better quadrant/octant selection during graph search relative to simple quadtrees and octrees. On the other hand, after that all quadrants/octants are determined, multiple gateways are nominated between each two selected nodes and path is constructed by passing through the gateway which its selection leads in shorter and smoother path. Proposed structures in this paper alongside the utilized path construction approach, creates better paths in terms of path length than those created if simple trees are used, somehow equal to the quality of the achieved paths by framed trees, meanwhile interestingly, consumed time and memory in our proposed method are closer to the used time and memory if simple trees are used.

  17. The Growth Mechanism of Transition Metal Dichalcogenides by using Sulfurization of Pre-deposited Transition Metals and the 2D Crystal Hetero-structure Establishment

    NASA Astrophysics Data System (ADS)

    Wu, Chong-Rong; Chang, Xiang-Rui; Wu, Chao-Hsin; Lin, Shih-Yen

    2017-02-01

    A growth model is proposed for the large-area and uniform MoS2 film grown by using sulfurization of pre-deposited Mo films on sapphire substrates. During the sulfurization procedure, the competition between the two mechanisms of the Mo oxide segregation to form small clusters and the sulfurization reaction to form planar MoS2 film is determined by the amount of background sulfur. Small Mo oxide clusters are observed under the sulfur deficient condition, while large-area and complete MoS2 films are obtained under the sulfur sufficient condition. Precise layer number controllability is also achieved by controlling the pre-deposited Mo film thicknesses. The drain currents in positive dependence on the layer numbers of the MoS2 transistors with 1-, 3- and 5- layer MoS2 have demonstrated small variation in material characteristics between each MoS2 layer prepared by using this growth technique. By sequential transition metal deposition and sulfurization procedures, a WS2/MoS2/WS2 double hetero-structure is demonstrated. Large-area growth, layer number controllability and the possibility of hetero-structure establishment by using sequential metal deposition and following sulfurization procedures have revealed the potential of this growth technique for practical applications.

  18. Observation of the hyperfine structure of the {sup 2}S{sub 1/2}-{sup 2}D{sub 5/2} transition in {sup 87}Sr{sup +}

    SciTech Connect

    Barwood, G.P.; Gao, K.; Gill, P.; Huang, G.; Klein, H.A.

    2003-01-01

    The hyperfine structure of the {sup 2}S{sub 1/2}-{sup 2}D{sub 5/2} quadrupole transition at 674 nm in {sup 87}Sr{sup +} has been observed. The ion was confined in a Paul trap and cooled using laser radiation at 422 and 1092 nm. The quadrupole transition was observed by monitoring quantum jumps in the 422-nm fluorescence. The odd isotope of strontium has 'clock' transitions independent of the first-order Zeeman shift and the {sup 2}D{sub 5/2} state hyperfine structure constants have been determined as A{sub D{sub 5/2}}=2.1743(14) MHz and B{sub D{sub 5/2}}=49.11(6) MHz. Standard uncertainties have been added in parentheses. These values allow the second-order Zeeman shifts to be calculated. The {sup 88}Sr{sup +}-{sup 87}Sr{sup +} isotope shift for the 674-nm quadrupole transition has been measured to be 247.99(4) MHz.

  19. 2D to 3D conversion implemented in different hardware

    NASA Astrophysics Data System (ADS)

    Ramos-Diaz, Eduardo; Gonzalez-Huitron, Victor; Ponomaryov, Volodymyr I.; Hernandez-Fragoso, Araceli

    2015-02-01

    Conversion of available 2D data for release in 3D content is a hot topic for providers and for success of the 3D applications, in general. It naturally completely relies on virtual view synthesis of a second view given by original 2D video. Disparity map (DM) estimation is a central task in 3D generation but still follows a very difficult problem for rendering novel images precisely. There exist different approaches in DM reconstruction, among them manually and semiautomatic methods that can produce high quality DMs but they demonstrate hard time consuming and are computationally expensive. In this paper, several hardware implementations of designed frameworks for an automatic 3D color video generation based on 2D real video sequence are proposed. The novel framework includes simultaneous processing of stereo pairs using the following blocks: CIE L*a*b* color space conversions, stereo matching via pyramidal scheme, color segmentation by k-means on an a*b* color plane, and adaptive post-filtering, DM estimation using stereo matching between left and right images (or neighboring frames in a video), adaptive post-filtering, and finally, the anaglyph 3D scene generation. Novel technique has been implemented on DSP TMS320DM648, Matlab's Simulink module over a PC with Windows 7, and using graphic card (NVIDIA Quadro K2000) demonstrating that the proposed approach can be applied in real-time processing mode. The time values needed, mean Similarity Structural Index Measure (SSIM) and Bad Matching Pixels (B) values for different hardware implementations (GPU, Single CPU, and DSP) are exposed in this paper.

  20. Structure of the Juan de Fuca Plate and Washington Forearc from 2D Travel Time Tomography of OBS and Land Seismometer Data along and East-West Transect

    NASA Astrophysics Data System (ADS)

    Carton, H. D.; Canales, J.; Janiszewski, H. A.; Carbotte, S. M.; Abers, G. A.; Trehu, A. M.; Nedimovic, M. R.

    2013-12-01

    In the summer of 2012 an offshore-onshore active source experiment was conducted spanning the Juan de Fuca plate and transecting the Cascadia margin at two locations. Two plate-scale transects offshore Oregon and Washington were designed to characterize the structure and evolution of the oceanic crust and uppermost mantle as the plate ages from formation at the Juan de Fuca Ridge to subduction at the Cascadia trench. They will provide evidence on how and where incorporation of water is taking place, and, further into the subduction zone, they will provide information on forearc structure and the subducting crust as it begins to dewater beneath the megathrust. Along the northern transect, airgun shots from R/V Lanseth's 6600 cu in array were fired at an interval of 500 m from the Endeavour segment on the Juan de Fuca Ridge to the 1000 m water depth contour on the wide accretionary wedge off Grays Harbor. These shots were recorded on 22 Ocean Bottom Seismometers (OBS) at ~15 km spacing along track and 15 land stations deployed in an ~140 km long east-west corridor in Washington. Two other sets of shots, at 37.5 m interval on the oceanic plate, and at 50 m interval on the wedge and shelf ~14-78 km from shore (thus extending shooting landward), were also recorded on the 15 land stations, and provide data that are easier to pick. Arrivals can be identified out of to a maximum of ~100 km on OBSs located on the oceanic plate and accretionary wedge, and a maximum of ~140 km on the land instruments. The two OBSs closest to shore (< 300 m water depth) returned noisy data and/or had issues. So far first arrivals (Psed, Pg and Pn) have been picked on the OBS gathers, which also show clear PmP phases. We will present two-dimensional P-wave travel time tomography results using the onshore-offshore wide-angle data from this northern transect.

  1. Super-radiant mode in InAs—monolayer–based Bragg structures

    PubMed Central

    Pozina, G.; Kaliteevski, M. A.; Nikitina, E. V.; Denisov, D. V.; Polyakov, N. K.; Pirogov, E. V.; Goray, L. I.; Gubaydullin, A. R.; Ivanov, K. A.; Kaliteevskaya, N. A.; Egorov, A. Yu.; Clark, S. J.

    2015-01-01

    We report direct experimental evidence of the collective super-radiant mode in Bragg structure containing 60 InAs monolayer-based quantum wells (QWs) periodically arranged in GaAs matrix. Time-resolved photoluminescence measurements reveal an appearance of the additional super-radiant mode, originated from coherent collective interaction of QWs. This mode demonstrates a super-linear dependence of the intensity and radiative decay rate on the excitation power. The super-radiant mode is not manifested in the case if only a small number of QWs is excited. PMID:26456523

  2. A search for p-mode oscillations of Jupiter - Serendipitous observations of nonacoustic thermal wave structure

    NASA Technical Reports Server (NTRS)

    Deming, Drake; Mumma, Michael J.; Espenak, Fred; Jennings, Donald E.; Kostiuk, Theodor; Wiedemann, Gunter

    1989-01-01

    Frequencies for the p-mode oscillations of Jupiter have been determined, and infrared brightness temperature fluctuations are used to search for the modes. Measurements of the infrared intensity of the Jovian disk were obtained in a broad bandwidth using a 20-element linear array. No p-mode oscillations were observed at the 0.07-K level in the 8-13-micron brightness temperature. The results suggest that Jovian p modes are not likely to have observable amplitudes. A prominent nonacoustic wave-like structure in the 8-13-micron brightness temperature is found both at 20 deg N and at the equator.

  3. A search for p-mode oscillations of Jupiter - Serendipitous observations of nonacoustic thermal wave structure

    NASA Astrophysics Data System (ADS)

    Deming, D.; Mumma, M. J.; Espenak, F.; Jennings, D. E.; Kostiuk, T.; Wiedemann, G.; Loewenstein, R.; Piscitelli, J.

    1989-08-01

    Frequencies for the p-mode oscillations of Jupiter have been determined, and infrared brightness temperature fluctuations are used to search for the modes. Measurements of the infrared intensity of the Jovian disk were obtained in a broad bandwidth using a 20-element linear array. No p-mode oscillations were observed at the 0.07-K level in the 8-13-micron brightness temperature. The results suggest that Jovian p modes are not likely to have observable amplitudes. A prominent nonacoustic wave-like structure in the 8-13-micron brightness temperature is found both at 20 deg N and at the equator.

  4. Metal free half metallicity in 2D system: structural and magnetic properties of g-C4N3 on BN

    PubMed Central

    Hashmi, Arqum; Hong, Jisang

    2014-01-01

    Synthesis of a half metallic material on a substrate is highly desirable for diverse applications. Herein, we have investigated structural, adsorptive, and magnetic properties of metal free graphitic carbon nitride (g-C4N3) layer on hexagonal BN layer (h-BN) using the optB88-vdW van der Waals density functional theory. It is found that g-C4N3 layer can be adsorbed on BN layer due to the change of lattice constant of the hybridized system. The newly found lattice constant of g-C4N3 was 9.89 Å, which is approximately 2% lower and larger than to those of free standing BN and g-C4N3, respectively. Also, 2 × 2 surface reconstruction geometry predicted in free standing g-C4N3 layer disappears on the BN layer. Interestingly, we have found that metal free half metallic behavior in g-C4N3 can be preserved even on BN layer and the characters of spin polarized planar orbitals suggest that our theoretical prediction can be verified using normal incidence of K-edge X-ray magnetic circular dichroism (XMCD) measurement. PMID:24625438

  5. Biorelevant pKa (37°C) predicted from the 2D structure of the molecule and its pKa at 25°C

    PubMed Central

    Sun, Na; Avdeef, Alex

    2011-01-01

    Values of the ionization constants at 37°C, which are scarcely reported, are more meaningful for interpreting mechanisms of cellular transport by ionizable molecules and in mechanistic dissolution studies, which are often performed at the biorelevant temperature. An equation was developed where the pKa values of drug-like molecules determined at 25°C can be simply converted to values at 37°C, without additional measurement. The differences between the values, ΔpKa = pKa37 − pKa25, were linearly fitted to a function of pKa25 and the standard entropy of ionization, ΔSo, where the latter term was approximated by the five Abraham linear free energy solvation descriptors using multiple linear regression. The Abraham descriptors (H-bond donor and acceptor strengths, dipolar solute-solvent interactions potential, the pi- and n-electrons dispersion force, and molar volume) were determined from the 2-dimensional structure of the molecules. A total of 143 mostly drug-like molecules (207 pKa values at 25°C and at 37°C) were chosen for the study. The pKa values of many were determined here for the first time. Included were 34 weak acids, 85 weak bases, and 24 amphoteric compounds (6 ordinary ampholytes, 18 zwitterions). PMID:21652160

  6. Schottky diodes from 2D germanane

    NASA Astrophysics Data System (ADS)

    Sahoo, Nanda Gopal; Esteves, Richard J.; Punetha, Vinay Deep; Pestov, Dmitry; Arachchige, Indika U.; McLeskey, James T.

    2016-07-01

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  7. An NFC Transceiver with Dual Antenna Structure to Support RF-Powered Transponder Mode

    NASA Astrophysics Data System (ADS)

    Cho, Junghyun; Kim, Jikon; Kim, Shiho

    A single chip NFC transceiver with Dual Antenna structure supporting not only NFC active and passive mode but also 13.56MHz RFID reader and tag mode is designed and fabricated. The proposed NFC transceiver can operate as a RFID tag even without external power supply thanks to a dual antenna structure for initiator and target. The area increment due to additional target antenna is negligible because the target antenna is constructed by using a shielding layer of the initiator antenna.

  8. Mode structure in an optically pumped D2O far-infrared ring laser

    NASA Astrophysics Data System (ADS)

    Yuan, D. C.; Soumagne, G.; Siegrist, M. R.

    1990-02-01

    The mode structures in an optically pumped D2O far-infrared ring laser and a corresponding linear resonator have been compared. While single-mode operation can be obtained over the whole useful pressure range in the ring structure, this is only possible at pressures greater than 8 torr in the linear resonator case. A numerical model predicts quite well the pulse shape, pressure dependence, and influence of the resonator quality in the ring cavity.

  9. Mode structure in an optically pumped D sub 2 O far-infrared ring laser

    SciTech Connect

    Yuan, D.C. ); Soumagne, G.; Siegrist, M.R. )

    1990-02-01

    The mode structures in an optically pumped D {sub 2} O far-infrared ring laser and a corresponding linear resonator are compared in this paper. While single-mode operation can be obtained over the whole useful pressure range in the ring structure, this is only possible at pressures greater than 8 torr in the linear resonator case. A numerical model predicts quite well the pulse shape, pressure dependence, and influence of the resonator quality in the ring cavity.

  10. Global Failure Modes in High Temperature Composite Structures

    NASA Technical Reports Server (NTRS)

    Knauss, W. G.

    1998-01-01

    Composite materials have been considered for many years as the major advance in the construction of energy efficient aerospace structures. Notable advances have been made in understanding the special design considerations that set composites apart from the usual "isotropic" engineering materials such as the metals. As a result, a number of significant engineering designs have been accomplished. However, one shortcoming of the currently favored composites is their relatively unforgiving behavior with respect to failure (brittleness) under seemingly mild impact conditions and large efforts are underway to rectify that situation, much along the lines of introducing thermoplastic matrix materials. Because of their relatively more pronounced (thermo) viscoelastic behavior these materials respond with "toughness" in fracture situations. From the point of view of applications requiring material strength, this property is highly desirable. This feature impacts several important and distinct engineering problems which have been' considered under this grant and cover the 1) effect of impact damage on structural (buckling) stability of composite panels, the 2) effect of time dependence on the progression of buckling instabilities, and the 3) evolution of damage and fracture at generic thickness discontinuities in structures. The latter topic has serious implications for structural stability problems (buckling failure in reinforced shell structures) as well as failure progression in stringer-reinforced shell structures. This grant has dealt with these issues. Polymer "toughness" is usually associated with uncrosslinked or thermo-plastic polymers. But, by comparison with their thermoset counterparts they tend to exhibit more pronounced time dependent material behavior; also, that time dependence can occur at lower temperatures which places restriction in the high temperature use of these "newer and tougher" materials that are not quite so serious with the thermoset matrix

  11. Stability of two-dimensional (2D) natural convection flows in air-filled differentially heated cavities: 2D/3D disturbances

    NASA Astrophysics Data System (ADS)

    Xin, Shihe; Le Quéré, Patrick

    2012-06-01

    Following our previous two-dimensional (2D) studies of flows in differentially heated cavities filled with air, we studied the stability of 2D natural convection flows in these cavities with respect to 3D periodic perturbations. The basis of the numerical methods is a time-stepping code using the Chebyshev spectral collocation method and the direct Uzawa method for velocity-pressure coupling. Newton's iteration, Arnoldi's method and the continuation method have been used in order to, respectively, compute the 2D steady-state base solution, estimate the leading eigenmodes of the Jacobian and perform linear stability analysis. Differentially heated air-filled cavities of aspect ratios from 1 to 7 were investigated. Neutral curves (Rayleigh number versus wave number) have been obtained. It turned out that only for aspect ratio 7, 3D stationary instability occurs at slightly higher Rayleigh numbers than the onset of 2D time-dependent flow and that for other aspect ratios 3D instability always takes place before 2D time-dependent flows. 3D unstable modes are stationary and anti-centro-symmetric. 3D nonlinear simulations revealed that the corresponding pitchfork bifurcations are supercritical and that 3D instability leads only to weak flow in the third direction. Further 3D computations are also performed at higher Rayleigh number in order to understand the effects of the weak 3D fluid motion on the onset of time-dependent flow. 3D flow structures are responsible for the onset of time-dependent flow for aspect ratios 1, 2 and 3, while for larger aspect ratios they do not alter the transition scenario, which was observed in the 2D cases and that vertical boundary layers become unstable to traveling waves.

  12. Space structure vibration modes: How many exist? Which ones are important?

    NASA Technical Reports Server (NTRS)

    Hughes, P. C.

    1984-01-01

    This report attempts to shed some light on the two issues raised in the title, namely, how many vibration modes does a real structure have, and which of these modes are important? The surprise-free answers to these two questions are, respectively, an infinite number and the first several modes. The author argues that the absurd subspace (all but the first billion modes) is not a strength of continuum modeling, but, in fact, a weakness. Partial differential equations are not real structures, only mathematical models. This note also explains (1) that the PDE model and the finite element model are, in fact, the same model, the latter being a numerical method for dealing with the former, (2) that modes may be selected on dynamical grounds other than frequency alone, and (3) that long slender rods are useful as primitive cases but dangerous to extrapolate from.

  13. Mode Conversion of Propagating Surface Plasmons in Nanophotonic Networks Induced by Structural Symmetry Breaking

    PubMed Central

    Pan, Deng; Wei, Hong; Jia, Zhili; Xu, Hongxing

    2014-01-01

    Nanophotonic plasmon circuits may play important roles in next-generation information technology as semiconductor-based electronics is approaching the physical limit. The functions of such circuits rely on the rigorous control of plasmon propagation. One important aspect of such control is controlling the conversion of different plasmon modes for designed plasmon routing in complex nanophotonic networks. Here, for the first time, we experimentally prove that the conversion of plasmon modes occurs widely in metallic nanowire waveguides, the basic components of plasmonic circuits, by introducing local structural symmetry breaking. In further simulations for the structure of a nanowire with a particle in its proximity, it is shown that the mode conversions originate from the redistribution of electric field on the wave front which is caused by the scattering of localized modes in the nanogap and on the nanoparticle. This mode conversion effect can be applied to flexibly control the plasmon propagation behavior in plasmonic nanowire networks.

  14. Soft x-ray measurement of internal tearing mode structure in a reversed-field pinch

    SciTech Connect

    Chartas, G.; Hokin, S.

    1991-09-16

    The structure of internally resonant tearing modes has been studied in the Madison Symmetric Torus reversed-field pinch with a soft x-ray detector system consisting of an imaging array at one toroidal location and several detectors at different toroidal locations. The toroidal mode numbers of m = 1 structures are in the range n = {minus}5, {minus}6, {minus}7. The modes propagate with phase velocity v = 1--6 {times} 10{sup 6} cm/s, larger than the diamagnetic drift velocity v{sub d} {approximately} 5 {times} 10{sup 5} cm/s. Phase locking between modes with different n in manifested as a beating of soft x-ray signals which is found to be strongest near the resonant surfaces of the modes (r/a = 0.1 -- 0.5). 15 refs., 5 figs.

  15. Quasiparticle interference in unconventional 2D systems

    NASA Astrophysics Data System (ADS)

    Chen, Lan; Cheng, Peng; Wu, Kehui

    2017-03-01

    At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe2), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.

  16. Structure, mechanics, and binding mode heterogeneity of LEDGF/p75-DNA nucleoprotein complexes revealed by scanning force microscopy

    NASA Astrophysics Data System (ADS)

    Vanderlinden, Willem; Lipfert, Jan; Demeulemeester, Jonas; Debyser, Zeger; de Feyter, Steven

    2014-04-01

    LEDGF/p75 is a transcriptional coactivator implicated in the pathogenesis of AIDS and leukemia. In these contexts, LEDGF/p75 acts as a cofactor by tethering protein cargo to transcriptionally active regions in the human genome. Our study - based on scanning force microscopy (SFM) imaging - is the first to provide structural information on the interaction of LEDGF/p75 with DNA. Two novel approaches that allow obtaining insights into the DNA conformation inside nucleoprotein complexes revealed (1) that LEDGF/p75 can bind at least in three different binding modes, (2) how DNA topology and protein dimerization affect these binding modes, and (3) geometrical and mechanical aspects of the nucleoprotein complexes. These structural and mechanical details will help us to better understand the cellular mechanisms of LEDGF/p75 as a transcriptional coactivator and as a cofactor in disease.LEDGF/p75 is a transcriptional coactivator implicated in the pathogenesis of AIDS and leukemia. In these contexts, LEDGF/p75 acts as a cofactor by tethering protein cargo to transcriptionally active regions in the human genome. Our study - based on scanning force microscopy (SFM) imaging - is the first to provide structural information on the interaction of LEDGF/p75 with DNA. Two novel approaches that allow obtaining insights into the DNA conformation inside nucleoprotein complexes revealed (1) that LEDGF/p75 can bind at least in three different binding modes, (2) how DNA topology and protein dimerization affect these binding modes, and (3) geometrical and mechanical aspects of the nucleoprotein complexes. These structural and mechanical details will help us to better understand the cellular mechanisms of LEDGF/p75 as a transcriptional coactivator and as a cofactor in disease. Electronic supplementary information (ESI) available: SFM topographs of phage lambda DNA in situ, in the absence and presence of LEDGF/p75; model-independent tests for DNA chain equilibration in 2D; SFM topographs of

  17. Calcium-dependent activation and autolysis of Arabidopsis metacaspase 2d.

    PubMed

    Watanabe, Naohide; Lam, Eric

    2011-03-25

    Metacaspases (MCPs) are members of a new family of cysteine proteases found in plants, fungi, and protozoa that are structurally related to metazoan caspases. Recent studies showed that plant MCPs are arginine/lysine-specific cysteine proteases with caspase-like processing activities in vitro and in vivo, and some of the plant type II MCPs exhibit Ca(2+) dependence for their endopeptidase activity in vitro. However, the mechanisms and biological relevance of Ca(2+) dependence and self-processing of plant MCPs remains unclear. Here we show that recombinant AtMCP2d, the most abundantly expressed member of Arabidopsis type II MCPs at the transcriptional level, exhibits a strict Ca(2+) dependence for its catalytic activation that is apparently mediated by intramolecular self-cleavage mechanism. However, rapid inactivation of AtMCP2d activity concomitant with Ca(2+)-induced self-processing at multiple internal sites was observed. Because active AtMCP2d can cleave its inactive form, intermolecular cleavage (autolysis) of AtMCP2d could also occur under our assay conditions. Ca(2+)-induced self-processing of recombinant AtMCP2d was found to correlate with the sequential appearance of at least six intermediates, including self-cleaved forms, during the proenzyme purification process. Six of these peptides were characterized, and the cleavage sites were mapped through N-terminal protein sequencing. Mutation analysis of AtMCP2d revealed that cleavage after Lys-225, which is a highly conserved residue among the six Arabidopsis type II MCPs, is critical for the catalytic activation by Ca(2+), and we demonstrate that this residue is essential for AtMCP2d activation of H(2)O(2)-induced cell death in yeast. Together, our results provide clues to understand the mode of regulation for this class of proteases.

  18. Growth mode and structures of magnetic Mn clusters on graphene

    DOE PAGES

    Liu, Xiaojie; Wang, Cai-Zhuang

    2016-06-22

    We present a systematic study of Mn clusters on graphene by first-principles calculations. We show that the growth of Mn on graphene follows a three-dimensional (3D) mode. Both adsorption and attachment energies show that (Mn)3 and (Mn)6 on graphene are energetically favorable in the size range (Mn)1-7. Moreover, larger formation energy for Mn cluster on graphene implies the incoming Mn atoms are likely to nucleate and grow into bigger and bigger Mn clusters on graphene. The magnetic moments of (Mn)1,5,7 on graphene are enhanced by 11%, 186%, and 26% from their values at free-standing clusters, respectively. By contrast, the netmore » magnetic moment of (Mn)2,3,4,6 on graphene is reduced from that of the corresponding free-standing clusters. The origin of the magnetic moment changes can be attributed to the charge transfer within the Mn clusters and between the clusters and graphene upon adsorption.« less

  19. Growth mode and structures of magnetic Mn clusters on graphene

    SciTech Connect

    Liu, Xiaojie; Wang, Cai-Zhuang

    2016-06-22

    We present a systematic study of Mn clusters on graphene by first-principles calculations. We show that the growth of Mn on graphene follows a three-dimensional (3D) mode. Both adsorption and attachment energies show that (Mn)3 and (Mn)6 on graphene are energetically favorable in the size range (Mn)1-7. Moreover, larger formation energy for Mn cluster on graphene implies the incoming Mn atoms are likely to nucleate and grow into bigger and bigger Mn clusters on graphene. The magnetic moments of (Mn)1,5,7 on graphene are enhanced by 11%, 186%, and 26% from their values at free-standing clusters, respectively. By contrast, the net magnetic moment of (Mn)2,3,4,6 on graphene is reduced from that of the corresponding free-standing clusters. The origin of the magnetic moment changes can be attributed to the charge transfer within the Mn clusters and between the clusters and graphene upon adsorption.

  20. Experimental investigation of the radial structure of energetic particle driven modes

    NASA Astrophysics Data System (ADS)

    Horváth, L.; Papp, G.; Lauber, Ph.; Por, G.; Gude, A.; Igochine, V.; Geiger, B.; Maraschek, M.; Guimarais, L.; Nikolaeva, V.; Pokol, G. I.; the ASDEX Upgrade Team

    2016-11-01

    Alfvén eigenmodes (AEs) and energetic particle modes (EPMs) are often excited by energetic particles (EPs) in tokamak plasmas. One of the main open questions concerning EP driven instabilities is the non-linear evolution of the mode structure. The aim of the present paper is to investigate the properties of beta-induced AEs (BAEs) and EP driven geodesic acoustic modes (EGAMs) observed in the ramp-up phase of off-axis NBI heated ASDEX Upgrade (AUG) discharges. This paper focuses on the changes in the mode structure of BAEs/EGAMs during the non-linear chirping phase. Our investigation has shown that in the case of the observed down-chirping BAEs the changes in the radial structure are smaller than the uncertainty of our measurement. This behaviour is most probably the consequence of the fact that BAEs are normal modes, thus their radial structure strongly depends on the background plasma parameters rather than on the EP distribution. In the case of rapidly upward chirping EGAMs the analysis consistently shows shrinkage of the mode structure. The proposed explanation is that the resonance in the velocity space moves towards more passing particles which have narrower orbit widths.

  1. Choke-mode damped structure design for the Compact Linear Collider main linac

    NASA Astrophysics Data System (ADS)

    Zha, Hao; Shi, Jiaru; Chen, Huaibi; Grudiev, Alexej; Wuensch, Walter; Tang, Chuanxiang; Huang, Wenhui

    2012-12-01

    Choke-mode damped structures are being studied as an alternative design to waveguide damped structures for the main linac of the Compact Linear Collider (CLIC). Choke-mode structures have the potential for lower pulsed temperature rise and simpler and less expensive fabrication. An equivalent circuit model based on transmission line theory for higher-order-mode damping is presented. Using this model, a new choke geometry is proposed and the wakefield performance is verified using Gdfidl. This structure has a comparable wakefield damping effect to the baseline design which uses waveguide damping. A prototype structure with the same iris dimensions and accelerating gradient as the nominal CLIC design, but with the new choke geometry, has been designed for high-power tests.

  2. Identification of dominant flow structures in rapidly rotating convection of liquid metals using Dynamic Mode Decomposition

    NASA Astrophysics Data System (ADS)

    Horn, Susanne; Aurnou, Jonathan M.; Schmid, Peter J.

    2016-11-01

    We will present results from direct numerical simulations of rapidly rotating convection in a fluid with Pr 0 . 025 in cylindrical containers and Ekman numbers as low as 5 ×10-6 . In this system, the Coriolis force is the source of two types of inertial modes, the so-called wall modes, that also exist at moderate Prandtl numbers, and cylinder-filling oscillatory modes, that are a unique feature of small Prandtl number convection. The obtained flow fields were analyzed using the Dynamic Mode Decomposition (DMD). This technique allows to extract and identify the structures that govern the dynamics of the system as well as their corresponding frequencies. We have investigated both the regime where the flow is purely oscillatory and the regime where wall modes and oscillatory modes co-exist. In the purely oscillatory regime, high and low frequency oscillatory modes characterize the flow. When both types of modes are present, the DMD reveals that the wall-attached modes dominate the flow dynamics. They precess with a relatively low frequency in retrograde direction. Nonetheless, also in this case, high frequency oscillations have a significant contribution.

  3. Thermally Conductive Structural 2D Composite Materials

    DTIC Science & Technology

    2012-08-14

    5 Figure 3. Micrographs of Carbon Nanostructures Grown on Carbon Fibers Using Microwave Generated Plasmas at MSU...methods provided in literature, however, utilize a microwave plasma technique, not conducive to continuous manufacturing. Therefore, in the current work...carbon fibers per the methodologies reported by Bhuvana et al. [1], which used microwave plasma chemical vapor deposition. The MSU unit is a “cold

  4. Higher order mode damping for a detuned structure

    SciTech Connect

    Kroll, N.; Thompson, K.; Bane, K.; Ko, K.; Miller, R.; Ruth, R.; Gluckstern, R.

    1994-08-01

    We report in this paper the current status of our investigation of the possibility of suppressing the wake reappearance by providing relatively weak damping via the vacuum manifolds. The four vacuum manifolds running the length of the structure also function as multimode waveguides which serve to drain power from the HOM`s through the large coupling slots located in each cell, except, as discussed later, for a few at each end of the manifolds.

  5. Hybrid materials based on novel 2D lanthanide coordination polymers covalently bonded to amine-modified SBA-15 and MCM-41: assembly, characterization, structural features, thermal and luminescence properties.

    PubMed

    Wang, Jun; Dou, Wei; Kirillov, Alexander M; Liu, Weisheng; Xu, Cailing; Fang, Ran; Yang, Lizi

    2016-11-22

    Three novel 2D coordination polymers [Tb2(μ4-L)2(μ-HL)(μ-HCOO)(DEF)]n (Tb-L), [Eu(μ4-L)(L)(H2O)2]n (Eu-L), and [Nd(μ4-L)(L)(H2O)2]n (Nd-L) were assembled from the corresponding lanthanide(iii) nitrates and 5 methoxy-(4-benzaldehyde)-1,3-benzenedicarboxylic acid (H2L) as a main multifunctional building block bearing carboxylate and aldehyde functional groups, using H2O/DEF {DEF = N,N-diethylformamide} as a reaction medium. The obtained coordination polymers were isolated as stable microcrystalline solids and fully characterized by elemental analysis, FT-IR spectroscopy, TGA, BET, PXRD, and single-crystal X-ray diffraction methods. Their structures feature intricate 2D metal-organic networks, which were topologically classified as underlying layers with the 4,6L26 (for Tb-L) or sql (for Eu-L and Nd-L) topologies. Besides, a novel series of mesoporous hybrid materials wherein the Tb-L, Eu-L, or Nd-L coordination polymers are covalently grafted into the amine-functionalized SBA-15-NH2 or MCM-41-NH2 matrices (via the formation of Schiff-base groups) was also synthesized and fully characterized. These hybrid materials show high thermal and photoluminescence stability, as well as remarkable chemical resistance to boiling water, and acidic or alkaline medium. Luminescent properties of the parent coordination polymers and derived hybrid materials are investigated in detail, showing that the latter combine the luminescent characteristics (intense green or red emissions and excellent stability) of lanthanide coordination polymers and structural features of ordered mesoporous silica molecular sieves. Moreover, light emitting devices were assembled, by coating the hybrid materials onto the surface of UV-LED bulbs, and showed excellent light emitting properties.

  6. Phonon thermal conduction in novel 2D materials

    NASA Astrophysics Data System (ADS)

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-01

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  7. Phonon thermal conduction in novel 2D materials.

    PubMed

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-07

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  8. Microscale 2D separation systems for proteomic analysis

    PubMed Central

    Xu, Xin; Liu, Ke; Fan, Z. Hugh

    2012-01-01

    Microscale 2D separation systems have been implemented in capillaries and microfabricated channels. They offer advantages of faster analysis, higher separation efficiency and less sample consumption than the conventional methods, such as liquid chromatography (LC) in a column and slab gel electrophoresis. In this article, we review their recent advancement, focusing on three types of platforms, including 2D capillary electrophoresis (CE), CE coupling with capillary LC, and microfluidic devices. A variety of CE and LC modes have been employed to construct 2D separation systems via sophistically designed interfaces. Coupling of different separation modes has also been realized in a number of microfluidic devices. These separation systems have been applied for the proteomic analysis of various biological samples, ranging from a single cell to tumor tissues. PMID:22462786

  9. MHD Wave Modes Resolved in Fine-Scale Chromospheric Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Verth, G.; Jess, D. B.

    2016-02-01

    Due to its complex and dynamic fine-scale structure, the chromosphere is a particularly challenging region of the Sun's atmosphere to understand. It is now widely accepted that to model chromospheric dynamics, even on a magnetohydrodynamic (MHD) scale, while also calculating spectral line emission, one must realistically include the effects of partial ionization and radiative transfer in a multi-fluid plasma under non-LTE conditions. Accurate quantification of MHD wave energetics must be founded on a precise identification of the actual wave mode being observed. This chapter focuses on MHD kink-mode identification, MHD sausage mode identification, and MHD torsional Alfvén wave identification. It then reviews progress in determining more accurate energy flux estimations of specific MHD wave modes observed in the chromosphere. The chapter finally examines how the discovery of these MHD wave modes has helped us advance the field of chromospheric magnetoseismology.

  10. Effect of Buckling Modes on the Fatigue Life and Damage Tolerance of Stiffened Structures

    NASA Technical Reports Server (NTRS)

    Davila, Carlos G.; Bisagni, Chiara; Rose, Cheryl A.

    2015-01-01

    The postbuckling response and the collapse of composite specimens with a co-cured hat stringer are investigated experimentally and numerically. These specimens are designed to evaluate the postbuckling response and the effect of an embedded defect on the collapse load and the mode of failure. Tests performed using controlled conditions and detailed instrumentation demonstrate that the damage tolerance, fatigue life, and collapse loads are closely tied with the mode of the postbuckling deformation, which can be different between two nominally identical specimens. Modes that tend to open skin/stringer defects are the most damaging to the structure. However, skin/stringer bond defects can also propagate under shearing modes. In the proposed paper, the effects of initial shape imperfections on the postbuckling modes and the interaction between different postbuckling deformations and the propagation of skin/stringer bond defects under quasi-static or fatigue loads will be examined.

  11. Global Failure Modes in Composite Structures for High Altitudes

    NASA Technical Reports Server (NTRS)

    Knauss, W. G.

    2004-01-01

    This report summarizes the accomplishments under the referenced grant. The work described was started under the guidance and supervision of the late Dr. James Stames as the technical contact. It was aimed at investigating the development of analysis tools to deal with the problem of rupture in reinforced structural skin of future composites-based aircraft. It was of particular interest to assess methods by which failure features reminiscent of cracks in metallic structures would develop and propagate in fiber reinforced structures in interaction with the reinforcing frame. To eventually achieve that goal it was necessary to first understand the stress or strain distribution at the front of such features so that interactions between such features and reinforcing agents could be assessed computationally. Thus the major emphasis here was on the assessment of damage front and methods on how to assess or characterize it. During the conduct of this research program Dr. Stames changed to a different NASA- internal assignment, which divorced him of the direct supervision of this grant. A student who was approximately % into the completion of his Ph.D. research needed to finish this work, and NASA funds were made available under Dr. Damodar Ambur, the successor Branch Manager for Dr. James Starnes, for the completion of this work. The current grant was the thus a new and fmal support increment for completion of the started research. Final reports for previous funding have been completed and submitted. Because of the interconnection of this last phase of the investigation with previous work it is deemed useful to make the Ph.D. thesis by Luis Gonzales the body of this report.

  12. Long-wavelength torsional modes of solar coronal plasma structures

    NASA Astrophysics Data System (ADS)

    Vasheghani Farahani, S.; Nakariakov, V. M.; van Doorsselaere, T.

    2010-07-01

    Aims: We consider the effects of the magnetic twist and plasma rotation on the propagation of torsional m = 0 perturbations of cylindrical plasma structures (straight magnetic flux tubes) in the case when the wavelength is much longer than the cylinder diameter. Methods: The second order thin flux tube approximation is used to derive dispersion relations and phase relations in linear long-wavelength axisymmetric magnetohydrodynamic waves in uniformly twisted and rotating plasma structures. Results: Asymptotic dispersion relations linking phase speeds with the plasma parameters are derived. When twist and rotation are both present, the phase speed of torsional waves depends upon the direction of the wave propagation, and also the waves are compressible. The phase relations show that in a torsional wave the density and azimuthal magnetic field perturbations are in phase with the axial magnetic field perturbations and anti-phase with tube cross-section perturbations. In a zero-β non-rotating plasma cylinder confined by the equilibrium twist, the density perturbation is found to be about 66 percent of the amplitude of the twist perturbation in torsional waves.

  13. Genetics, Biosynthesis, Structure, and Mode of Action of Lantibiotics

    NASA Astrophysics Data System (ADS)

    Kuipers, Anneke; Rink, Rick; Moll, Gert N.

    Lantibiotics are lanthionine-containing peptide antibiotics. They are characterized by having meso-lanthionine(s) and/or β-methyllanthionine(s) or both. These intramolecular monosulfide cross-links render the peptide resistant against breakdown by peptidases. Moreover, in several cases, the (methyl)lanthionines are essential for interaction with the so-called docking molecule lipid II. The best known lantibiotic, nisin, highly effectively inhibits growth of target cells via two mechanisms: (1) abduction of the cell wall precursor lipid II from the septum and (2) formation of pores composed of lipid II and nisin. (Methyl)lanthionines result from two enzyme-catalyzed posttranslational modifications: dehydration of serines/threonines and coupling of the resulting dehydro amino acids to cysteines. Besides the localization of the thioether bridges and dehydro amino acids in the lantibiotics, also the three-dimensional structure of some lantibiotics has been resolved by NMR. Genes encoding proteins involved in the biosynthesis of lantibiotics are present in clusters and may comprise combinations of the following genes in varying order: a structural gene that encodes a leader peptide and the lantibiotic propeptide, modification enzyme(s), a transporter responsible for the export of the lantibiotic and in some cases for cleavage of the leader peptide, a leader peptidase, a so-called immunity protein involved in self-protection of the host cell, components of a transporter also involved in self-protection, and two components of an autoinduction system.

  14. Acoustic plate mode propagation and interaction with ultraviolet light in periodic AIN-on-sapphire structure

    SciTech Connect

    Chivukula, Venkata; Shur, Michael; Ciplys, Daumantas; Jain, Rakesh; Yang Jinwei; Gaska, Remis

    2011-02-28

    AlN overlay featuring periodic columnar structure fabricated by epitaxial lateral overgrowth technique leads to excitation of acoustic plate modes (APMs) not observed in overlays without such periodic structure. The measured velocities of acoustic plate modes propagating in AlN-on-sapphire structure were verified by numerical simulation. The APM velocity is strongly modulated by UV illumination at wavelengths from 240 to 365 nm, and the corresponding phase response is sensitive to both the UV power and the wavelength with maximum sensitivity of 3.0 ppm/({mu}W/cm{sup 2}) at 240 nm.

  15. 2.4 GHz CMOS Power Amplifier with Mode-Locking Structure to Enhance Gain

    PubMed Central

    2014-01-01

    We propose a mode-locking method optimized for the cascode structure of an RF CMOS power amplifier. To maximize the advantage of the typical mode-locking method in the cascode structure, the input of the cross-coupled transistor is modified from that of a typical mode-locking structure. To prove the feasibility of the proposed structure, we designed a 2.4 GHz CMOS power amplifier with a 0.18 μm RFCMOS process for polar transmitter applications. The measured power added efficiency is 34.9%, while the saturated output power is 23.32 dBm. The designed chip size is 1.4 × 0.6 mm2. PMID:25045755

  16. Acoustic fatigue life prediction for nonlinear structures with multiple resonant modes

    NASA Astrophysics Data System (ADS)

    Miles, R. N.

    1992-03-01

    This report documents an effort to develop practical and accurate methods for estimating the fatigue lives of complex aerospace structures subjected to intense random excitations. The emphasis of the current program is to construct analytical schemes for performing fatigue life estimates for structures that exhibit nonlinear vibration behavior and that have numerous resonant modes contributing to the response.

  17. Structural integrity and potential failure modes of hanford high-level waste tanks

    SciTech Connect

    Han, F.C.

    1996-09-30

    Structural Integrity of the Hanford High-Level Waste Tanks were evaluated based on the existing Design and Analysis Documents. All tank structures were found adequate for the normal operating and seismic loads. Potential failure modes of the tanks were assessed by engineering interpretation and extrapolation of the existing engineering documents.

  18. Acoustic fatigue life prediction for nonlinear structures with multiple resonant modes

    NASA Technical Reports Server (NTRS)

    Miles, R. N.

    1992-01-01

    This report documents an effort to develop practical and accurate methods for estimating the fatigue lives of complex aerospace structures subjected to intense random excitations. The emphasis of the current program is to construct analytical schemes for performing fatigue life estimates for structures that exhibit nonlinear vibration behavior and that have numerous resonant modes contributing to the response.

  19. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  20. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  1. Analysis of ring-structured Bragg fibres for single TE mode guidance

    NASA Astrophysics Data System (ADS)

    Argyros, Alexander; Bassett, Ian M.; van Eijkelenborg, Martijn A.; Large, Maryanne C. J.

    2004-06-01

    Ring-structured Bragg fibres that support a single TE-polarisation mode are investigated. The fibre designs consist of a hollow core and rings of holes concentric with the core, which form the low-index layers of the Bragg reflector in the cladding. The effects of varying the air fraction in each ring of holes on the transmission properties of the fibres are analysed and an approximate model based on homogenisation is explored. Surface modes and transitions thereof are also discussed.

  2. Surface modes in "photonic cholesteric liquid crystal-phase plate-metal" structure.

    PubMed

    Vetrov, S Ya; Pyatnov, M V; Timofeev, I V

    2014-05-01

    The light transmission spectrum has been calculated for a "cholesteric liquid crystal-phase plate-metal" structure. It is shown that the system can have an isolated waveguide surface mode with characteristics efficiently controllable by external fields acting on the cholesteric. The degree of localization of surface modes and the transmission coefficients have been found to differ considerably for the light of different polarizations.

  3. Controlling the dynamical modes of the chiral magnetic structures by spin Hall effect

    NASA Astrophysics Data System (ADS)

    Liu, Ronghua; Lim, Weng-Lee; Urazhdin, Sergei

    2014-03-01

    Recently, pure spin currents generated due to spin Hall effect have been proved as an efficient approach to reverse the magnetization, modify the dynamical relaxation rates, and excite magnetization oscillations in the heavy metal/ferromagnetic heterostructures. In addition, the Dzyaloshinskii-Moriya interaction (DMI) can also induce chiral magnetization configurations and rich dynamics in these asymmetrical heterostructures . We controllably excited several distinct dynamical modes in spin Hall oscillator based on Pt/ [CoNi] magnetic multilayer with perpendicular anisotropy. At low current, a quasi-linear Slonczewski-like propagating spin wave mode was excited. This mode transforms to a localized soliton mode above a certain threshold current. At large fields, this mode can be identified as the spin wave `bullet' mode. At small fields, the localized mode is transformed to the topological structure of the `droplet' mode, which comes from the oscillations of the chiral domain walls forming the boundary of the bubble domain due to DMI. Our measurements demonstrate a straightforward route for emission of spin waves by nano-oscillators controlled either by current or by the applied magnetic field. This work was supported by the NSF grant ECCS-1218419.

  4. Multi-field characteristics and eigenmode spatial structure of geodesic acoustic modes in DIII-D L-mode plasmas

    SciTech Connect

    Wang, G.; Peebles, W. A.; Rhodes, T. L.; Doyle, E. J.; Hillesheim, J. C.; Schmitz, L.; Zeng, L.; Austin, M. E.; Yan, Z.; McKee, G. R.; La Haye, R. J.; Burrell, K. H.; Lanctot, M. J.; Petty, C. C.; Smith, S.; Strait, E. J.; Van Zeeland, M.; Nazikian, R.

    2013-09-15

    The geodesic acoustic mode (GAM), a coherent form of the zonal flow, plays a critical role in turbulence regulation and cross-magnetic-field transport. In the DIII-D tokamak, unique information on multi-field characteristics and radial structure of eigenmode GAMs has been measured. Two simultaneous and distinct, radially overlapping eigenmode GAMs (i.e., constant frequency vs. radius) have been observed in the poloidal E×B flow in L-mode plasmas. As the plasma transitions from an L-mode to an Ohmic regime, one of these eigenmode GAMs becomes a continuum GAM (frequency responds to local parameters), while the second decays below the noise level. The eigenmode GAMs occupy a radial range of ρ = 0.6–0.8 and 0.75–0.95, respectively. In addition, oscillations at the GAM frequency are observed for the first time in multiple plasma parameters, including n{sub e}, T{sub e}, and B{sub θ}. The magnitude of T(tilde sign){sub e}/T{sub e} at the GAM frequency (the magnitude is similar to that of ñ{sub e}/n{sub e}) and measured n{sub e}–T{sub e} cross-phase (∼140° at the GAM frequency) together indicate that the GAM pressure perturbation is not determined solely by ñ{sub e}. The magnetic GAM behavior, a feature only rarely reported, is significantly stronger (×18) on the high-field side of the tokamak, suggesting an anti-ballooning nature. Finally, the GAM is also observed to directly modify intermediate-wavenumber ñ{sub e} levels (kρ{sub s} ∼ 1.1). The simultaneous temperature, density, flow fluctuations, density-temperature cross-phase, and magnetic behavior present a new perspective on the underlying physics of the GAM.

  5. Reproductive mode and fine-scale population genetic structure of grape phylloxera (Daktulosphaira vitifoliae) in a viticultural area in California

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Grape phylloxera (Daktulosphaira vitifoliae) is regarded as one of the world's most important viticultural pests. However, reproductive mode, genetic structure, and host adaptation of phylloxera in various viticultural environments remain unclear. In this study, reproductive mode and genetic structu...

  6. Domain structure and Raman modes in PbTiO3

    NASA Astrophysics Data System (ADS)

    Bartasyte, A.; Margueron, S.; Santiso, J.; Hlinka, J.; Simon, E.; Gregora, I.; Chaix-Pluchery, O.; Kreisel, J.; Jimenez, C.; Weiss, F.; Kubilius, V.; Abrutis, A.

    2011-05-01

    A comparative analysis of Raman spectra from poly-domain PbTiO3 thin films with poly-domain and single-domain PbTiO3 crystals is presented. Raman spectroscopy reveals that the profiles of A1-symmetry modes can be significantly modified by the existence of the domain structure. The possible origins of these complex profiles of the A1(LO) and A1(TO) modes are discussed. It is emphasized that analysis of stresses, domain structure and phase transitions in the PbTiO3 thin films has to be based on the E(TO) modes presenting profiles that are not affected by the domain structure.

  7. Distinctive Features of the Temperature Sensitivity of a Transistor Structure in a Bipolar Mode of Measurement

    NASA Astrophysics Data System (ADS)

    Karimov, A. V.; Dzhuraev, D. P.; Kuliev, Sh. M.; Turaev, A. A.

    2016-03-01

    Results are presented of an experimental investigation of the temperature sensitivity of an individual base-to-collector junction of a bipolar transistor structure and of this same structure in the case of series connection of blocking emitter and collector junctions. It is shown that the temperature-sensitivity coefficient of the transistor structure operating in a bipolar mode of measurement is an order of magnitude larger than an analogous coefficient of the base-to-collector junction.

  8. Vibrational modes in the Pmc21 structure of ZnGeN2

    NASA Astrophysics Data System (ADS)

    Hagemann, Mark; Bhandari, Churna; Lambrecht, Walter R. L.

    2016-05-01

    Vibrational normal modes at the Brillouin zone center and related Raman and infrared spectra are calculated from first-principles density functional perturbation theory for the until now hypothetical Pmc21 structure of ZnGeN2 and are compared with those in the known Pnb21 structure. Although there are great similarities in phonon spectra, we show that the distinctions are specific enough to experimentally distinguish the two crystal structures.

  9. Dynamical structure factors and excitation modes of the bilayer Heisenberg model

    NASA Astrophysics Data System (ADS)

    Lohöfer, M.; Coletta, T.; Joshi, D. G.; Assaad, F. F.; Vojta, M.; Wessel, S.; Mila, F.

    2015-12-01

    Using quantum Monte Carlo simulations along with higher-order spin-wave theory, bond-operator and strong-coupling expansions, we analyze the dynamical spin structure factor of the spin-half Heisenberg model on the square-lattice bilayer. We identify distinct contributions from the low-energy Goldstone modes in the magnetically ordered phase and the gapped triplon modes in the quantum disordered phase. In the antisymmetric (with respect to layer inversion) channel, the dynamical spin structure factor exhibits a continuous evolution of spectral features across the quantum phase transition, connecting the two types of modes. Instead, in the symmetric channel, we find a depletion of the spectral weight when moving from the ordered to the disordered phase. While the dynamical spin structure factor does not exhibit a well-defined distinct contribution from the amplitude (or Higgs) mode in the ordered phase, we identify an only marginally damped amplitude mode in the dynamical singlet structure factor, obtained from interlayer bond correlations, in the vicinity of the quantum critical point. These findings provide quantitative information in direct relation to possible neutron or light scattering experiments in a fundamental two-dimensional quantum-critical spin system.

  10. A Comparison of Solar p-Mode Parameters from MDI and Gong: Mode Frequencies and Structure Inversions

    NASA Technical Reports Server (NTRS)

    Basu, S.; Christensen-Dalsgaard, J.; Howe, R.; Schou, J.; Thompson, M. J.; Hill, F.; Komm, R.

    2003-01-01

    Helioseismic analysis of solar global oscillations allows investigation of the internal structure of the Sun. One important test of the reliability of the inferences from helioseismology is that the results from independent sets of contemporaneous data are consistent with one another. Here we compare mode frequencies from the Global Oscillation Network Group and Michelson Doppler Imager on board SOHO and resulting inversion results on the Sun's internal structure. The average relative differences between the data sets are typically less than 1 x 10(exp -5) substantially smaller than the formal errors in the differences; however, in some cases the frequency differences show a systematic behavior that might nonetheless influence the inversion results. We find that the differences in frequencies are not a result of instrumental effects but are almost entirely related to the data pipeline software. Inversion of the frequencies shows that their differences do not result in any significant effects on the resulting inferences on solar structure. We have also experimented with fitting asymmetric profiles to the oscillation power spectra and find that, compared with the symmetric fits, this causes no significant change in the inversion results.

  11. Mode of Action of Shigella Toxin. Effects on Ribosome Structure and Function

    DTIC Science & Technology

    1983-08-15

    accepted that clinical symptoms associated with these toxin -producing bacteria are, in part, a result of their effect on protein synthesis. To go one...NUMBER I Mode of Action of Shigella Toxin : Effects on Ribosome Structure and Function Annual Report STom G. Obrig, Ph.D. 0 August 15, 1983 Supported...REPORT A PERIOD COVERED MODE OF ACTION OF SII(;EI.LA TOXIN : EFFECTS Annual 11/15/82-8/l/83 ON RIBOSOME STRUCTURE AND FUNCTION 6 PERFORMING ORG. REPORT

  12. Structural damage localization by outlier analysis of signal-processed mode shapes - Analytical and experimental validation

    NASA Astrophysics Data System (ADS)

    Ulriksen, M. D.; Damkilde, L.

    2016-02-01

    Contrary to global modal parameters such as eigenfrequencies, mode shapes inherently provide structural information on a local level. Therefore, this particular modal parameter and its derivatives are utilized extensively for damage identification. Typically, more or less advanced mathematical methods are employed to identify damage-induced discontinuities in the spatial mode shape signals, hereby, potentially, facilitating damage detection and/or localization. However, by being based on distinguishing damage-induced discontinuities from other signal irregularities, an intrinsic deficiency in these methods is the high sensitivity towards measurement noise. In the present paper, a damage localization method which, compared to the conventional mode shape-based methods, has greatly enhanced robustness towards measurement noise is proposed. The method is based on signal processing of a spatial mode shape by means of continuous wavelet transformation (CWT) and subsequent application of a generalized discrete Teager-Kaiser energy operator (GDTKEO) to identify damage-induced mode shape discontinuities. In order to evaluate whether the identified discontinuities are in fact damage-induced, outlier analysis is conducted by applying the Mahalanobis metric to major principal scores of the sensor-located bands of the signal-processed mode shape. The method is tested analytically and benchmarked with other mode shape-based damage localization approaches on the basis of a free-vibrating beam and validated experimentally in the context of a residential-sized wind turbine blade subjected to an impulse load.

  13. Mirror mode structures ahead of dipolarization front near the neutral sheet observed by Cluster

    NASA Astrophysics Data System (ADS)

    Wang, G. Q.; Zhang, T. L.; Volwerk, M.; Schmid, D.; Baumjohann, W.; Nakamura, R.; Pan, Z. H.

    2016-09-01

    Magnetic compressional structures ahead of a dipolarization front (DF) on 30 August 2002 are investigated by using Cluster data. Our findings are as follows: (1) the structures, observed near the neutral sheet, are mainly compressional and dominant in BZ; (2) they are almost nonpropagating relative to the local ion bulk flow and their lengths are several local proton gyroradius; (3) the ion density increases when BT decreases; (4) ions are partially trapped by the structures with parallel and perpendicular velocities varying in antiphase; and (5) local conditions are favorable for excitation of the mirror instability, and we suggest that these structures are mirror mode-like. Our findings also suggest that local conditions ahead of the DF are viable for exciting the mirror instability to generate mirror mode waves or structures.

  14. Method of adiabatic modes in studying problems of smoothly irregular open waveguide structures

    SciTech Connect

    Sevastianov, L. A.; Egorov, A. A.; Sevastyanov, A. L.

    2013-02-15

    Basic steps in developing an original method of adiabatic modes that makes it possible to solve the direct and inverse problems of simulating and designing three-dimensional multilayered smoothly irregular open waveguide structures are described. A new element in the method is that an approximate solution of Maxwell's equations is made to obey 'inclined' boundary conditions at the interfaces between themedia being considered. These boundary conditions take into account the obliqueness of planes tangent to nonplanar boundaries between the media and lead to new equations for coupled vector quasiwaveguide hybrid adiabatic modes. Solutions of these equations describe the phenomenon of 'entanglement' of two linear polarizations of an irregular multilayered waveguide, the appearance of a new mode in an entangled state, and the effect of rotation of the polarization plane of quasiwaveguide modes. The efficiency of the method is demonstrated by considering the example of numerically simulating a thin-film generalized waveguide Lueneburg lens.

  15. Augmented Adaptive Control of a Wind Turbine in the Presence of Structural Modes

    NASA Technical Reports Server (NTRS)

    Frost, Susan A.; Balas, Mark J.; Wright, Alan D.

    2010-01-01

    Wind turbines operate in highly turbulent environments resulting in aerodynamic loads that can easily excite turbine structural modes, potentially causing component fatigue and failure. Two key technology drivers for turbine manufacturers are increasing turbine up time and reducing maintenance costs. Since the trend in wind turbine design is towards larger, more flexible turbines with lower frequency structural modes, manufacturers will want to develop methods to operate in the presence of these modes. Accurate models of the dynamic characteristics of new wind turbines are often not available due to the complexity and expense of the modeling task, making wind turbines ideally suited to adaptive control. In this paper, we develop theory for adaptive control with rejection of disturbances in the presence of modes that inhibit the controller. We use this method to design an adaptive collective pitch controller for a high-fidelity simulation of a utility-scale, variable-speed wind turbine operating in Region 3. The objective of the adaptive pitch controller is to regulate generator speed, accommodate wind gusts, and reduce the interference of certain structural modes in feedback. The control objective is accomplished by collectively pitching the turbine blades. The adaptive pitch controller for Region 3 is compared in simulations with a baseline classical Proportional Integrator (PI) collective pitch controller.

  16. Defect modes properties in self-similar fractal multilayer structures containing lossless single negative metamaterials

    NASA Astrophysics Data System (ADS)

    Rahimi, H.; Rezaei, M.

    2013-08-01

    Transfer matrix method is used to investigate the electromagnetic transmission spectra of a one-dimensional photonic fractal multilayer structure composed of single-negative metamaterial when common positive dielectric defect layers of are introduced. It is found that the frequency of the resonance defect modes can be tuned independently by varying the defect layer thicknesses. It is also found that by increasing the value of refractive index of defect layers and the number of periods, the full width half maximum of defect modes will be narrowed and shifted to lower frequencies. Also, our investigations show that for both TE and TM polarizations moving away from normal incidence to oblique incidence shows that the defect modes shift to upper frequencies. In other words, the defect modes inside the band gap depend on the incident angle and polarization. More interesting, for angles of incidence greater than 55° the defect modes for TE polarization (unlike to TM polarization) are eliminated. Moreover, the electromagnetic fields in the defect layers are strongly localized, and they can be excite independently. We believe that the proposed fractal structures can be useful in designing tunable independently high-Q filters with specific channels by adjusting their structural parameters.

  17. Scale Invariance in 2D BCS-BEC Crossover

    NASA Astrophysics Data System (ADS)

    Sensarma, Rajdeep; Taylor, Edward; Randeria, Mohit

    2013-03-01

    In 2D BCS-BEC crossover, the frequency of the breathing mode in a harmonic trap, as well as the lower edge of the radio frequency spectroscopy response, show remarkable scale-invariance throughout the crossover regime, i.e. they are independent of the coupling constant. Using functional integral methods, we study the behaviour of these quantities in the 2D BCS-BEC crossover and comment on the possible reasons for this scale independence. RS was supported by DAE, Govt. of India. MR was supported by NSF Grant No. DMR-1006532. ET was supported by NSERC and the Canadian Institute for Advanced Research.

  18. Non-Gaussian structure of B-mode polarization after delensing

    SciTech Connect

    Namikawa, Toshiya; Nagata, Ryo E-mail: rnagata@post.kek.jp

    2015-10-01

    The B-mode polarization of the cosmic microwave background on large scales has been considered as a probe of gravitational waves from the cosmic inflation. Ongoing and future experiments will, however, suffer from contamination due to the B-modes of non-primordial origins, one of which is the lensing induced B-mode polarization. Subtraction of the lensing B-modes, usually referred to as delensing, will be required for further improvement of detection sensitivity of the gravitational waves. In such experiments, knowledge of statistical properties of the B-modes after delensing is indispensable to likelihood analysis particularly because the lensing B-modes are known to be non-Gaussian. In this paper, we study non-Gaussian structure of the delensed B-modes on large scales, comparing it with that of the lensing B-modes. In particular, we investigate the power spectrum correlation matrix and the probability distribution function (PDF) of the power spectrum amplitude. Assuming an experiment in which the quadratic delensing is an almost optimal method, we find that delensing reduces correlations of the lensing B-mode power spectra between different multipoles, and that the PDF of the power spectrum amplitude is well described as a normal distribution function with a variance larger than that in the case of a Gaussian field. These features are well captured by an analytic model based on the 4th order Edgeworth expansion. As a consequence of the non-Gaussianity, the constraint on the tensor-to-scalar ratio after delensing is degraded within approximately a few percent, which depends on the multipole range included in the analysis.

  19. Non-Gaussian structure of B-mode polarization after delensing

    DOE PAGES

    Namikawa, Toshiya; Nagata, Ryo

    2015-10-01

    The B-mode polarization of the cosmic microwave background on large scales has been considered as a probe of gravitational waves from the cosmic inflation. Ongoing and future experiments will, however, suffer from contamination due to the B-modes of non-primordial origins, one of which is the lensing induced B-mode polarization. Subtraction of the lensing B-modes, usually referred to as delensing, will be required for further improvement of detection sensitivity of the gravitational waves. In such experiments, knowledge of statistical properties of the B-modes after delensing is indispensable to likelihood analysis particularly because the lensing B-modes are known to be non-Gaussian. Inmore » this paper, we study non-Gaussian structure of the delensed B-modes on large scales, comparing it with that of the lensing B-modes. In particular, we investigate the power spectrum correlation matrix and the probability distribution function (PDF) of the power spectrum amplitude. Assuming an experiment in which the quadratic delensing is an almost optimal method, we find that delensing reduces correlations of the lensing B-mode power spectra between different multipoles, and that the PDF of the power spectrum amplitude is well described as a normal distribution function with a variance larger than that in the case of a Gaussian field. These features are well captured by an analytic model based on the 4th order Edgeworth expansion. Furthermore, as a consequence of the non-Gaussianity, the constraint on the tensor-to-scalar ratio after delensing is degraded within approximately a few percent, which depends on the multipole range included in the analysis.« less

  20. Non-Gaussian structure of B-mode polarization after delensing

    SciTech Connect

    Namikawa, Toshiya; Nagata, Ryo

    2015-10-01

    The B-mode polarization of the cosmic microwave background on large scales has been considered as a probe of gravitational waves from the cosmic inflation. Ongoing and future experiments will, however, suffer from contamination due to the B-modes of non-primordial origins, one of which is the lensing induced B-mode polarization. Subtraction of the lensing B-modes, usually referred to as delensing, will be required for further improvement of detection sensitivity of the gravitational waves. In such experiments, knowledge of statistical properties of the B-modes after delensing is indispensable to likelihood analysis particularly because the lensing B-modes are known to be non-Gaussian. In this paper, we study non-Gaussian structure of the delensed B-modes on large scales, comparing it with that of the lensing B-modes. In particular, we investigate the power spectrum correlation matrix and the probability distribution function (PDF) of the power spectrum amplitude. Assuming an experiment in which the quadratic delensing is an almost optimal method, we find that delensing reduces correlations of the lensing B-mode power spectra between different multipoles, and that the PDF of the power spectrum amplitude is well described as a normal distribution function with a variance larger than that in the case of a Gaussian field. These features are well captured by an analytic model based on the 4th order Edgeworth expansion. Furthermore, as a consequence of the non-Gaussianity, the constraint on the tensor-to-scalar ratio after delensing is degraded within approximately a few percent, which depends on the multipole range included in the analysis.

  1. Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal

    SciTech Connect

    Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; and others

    2015-10-15

    Combination of polycarboxylate anions and dipyridyl ligands is an effective strategy to produce solid coordination frameworks (SCF) which are crystalline materials based on connections between metal ions through organic ligands. In this context, this work is focused on two novel Cu{sup II}-based SCFs exhibiting PDC (2,5-pyridinedicarboxylate) and bpa (1,2-di(4-pyridyl)ethane), being the first structures reported in literature containing both ligands. Chemical formula are [Cu{sub 2}[(PDC){sub 2}(bpa)(H{sub 2}O){sub 2}]·3H{sub 2}O·DMF (1), and [Cu{sub 2}(PDC){sub 2}(bpa)(H{sub 2}O){sub 2}]·7H{sub 2}O (2), where DMF is dimethylformamide. Compounds 1 and 2 have been characterized by means of X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric (TG) analysis, differential thermal analysis (DTA) and dielectric measurements. The crystallographic analysis revealed that compounds 1 and 2 can be described as herringbone-type layers formed by helicoidal Cu-PDC-Cu chains connected through bpa ligands. Solvent molecules are crystallized between the layers, providing the inter-layer connections through hydrogen bonds. Differences between both compounds are attributable to the flexibility of bpa (in 2D) as well as to the 3D packing of the layers which is solvent dependent. This fact results in the fact that compound 2 is the most regular 3-c herringbone array reported so far. The structural dynamism of these networks is responsible for the crystalline to-amorphous to-crystalline (CAC) transformation from compound 1 to compound 2. Crystallochemical features for both compounds have also been studied and compared to similar 3-connected herringbone-arrays. - Graphical abstract: Cu-PDC-bpa 3-c herringbone arrays. - Highlights: • The most ideal herringbone array reported so far is a Cu-PDC-bpa SCF. • Conformational freedom of bpa results in 2D and 3D flexibility of the SCFs. • The flexibility of the SCFs is related to a phase transformation. • Dielectric

  2. Nano-spatial parameters from 3D to 2D lattice dimensionality by organic variant in [ZnCl4]- [R]+ hybrid materials: Structure, architecture-lattice dimensionality, microscopy, optical Eg and PL correlations

    NASA Astrophysics Data System (ADS)

    Kumar, Ajit; Verma, Sanjay K.; Alvi, P. A.; Jasrotia, Dinesh

    2016-04-01

    The nanospatial morphological features of [ZnCl]- [C5H4NCH3]+ hybrid derivative depicts 28 nm granular size and 3D spreader shape packing pattern as analyzed by FESEM and single crystal XRD structural studies. The organic moiety connect the inorganic components through N-H+…Cl- hydrogen bond to form a hybrid composite, the replacement of organic derivatives from 2-methylpyridine to 2-Amino-5-choloropyridine results the increase in granular size from 28nm to 60nm and unit cell packing pattern from 3D-2D lattice dimensionality along ac plane. The change in optical energy direct band gap value from 3.01eV for [ZnCl]- [C5H4NCH3]+ (HM1) to 3.42eV for [ZnCl]- [C5H5ClN2]+ (HM2) indicates the role of organic moiety in optical properties of hybrid materials. The photoluminescence emission spectra is observed in the wavelength range of 370 to 600 nm with maximum peak intensity of 9.66a.u. at 438 nm for (HM1) and 370 to 600 nm with max peak intensity of 9.91 a.u. at 442 nm for (HM2), indicating that the emission spectra lies in visible range. PL excitation spectra depicts the maximum excitation intensity [9.8] at 245.5 nm for (HM1) and its value of 9.9 a.u. at 294 nm, specify the excitation spectra lies in UV range. Photoluminescence excitation spectra is observed in the wavelength range of 280 to 350 nm with maximum peak intensity of 9.4 a.u. at 285.5 nm and 9.9 a.u. at 294 and 297 nm, indicating excitation in the UV spectrum. Single crystal growth process and detailed physiochemical characterization such as XRD, FESEM image analysis photoluminescence property reveals the structure stability with non-covalent interactions, lattice dimensionality (3D-2D) correlations interweaving into the design of inorganic-organic hybrid materials.

  3. Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism

    NASA Astrophysics Data System (ADS)

    Unwalla, Rayomand J.; Cross, Jason B.; Salaniwal, Sumeet; Shilling, Adam D.; Leung, Louis; Kao, John; Humblet, Christine

    2010-03-01

    CYP2D6 is an important enzyme that is involved in first pass metabolism and is responsible for metabolizing 25% of currently marketed drugs. A homology model of CYP2D6 was built using X-ray structures of ligand-bound CYP2C5 complexes as templates. This homology model was used in docking studies to rationalize and predict the site of metabolism of known CYP2D6 substrates. While the homology model was generally found to be in good agreement with the recently solved apo (ligand-free) X-ray structure of CYP2D6, significant differences between the structures were observed in the B' and F-G helical region. These structural differences are similar to those observed between ligand-free and ligand-bound structures of other CYPs and suggest that these conformational changes result from induced-fit adaptations upon ligand binding. By docking to the homology model using Glide, it was possible to identify the correct site of metabolism for a set of 16 CYP2D6 substrates 85% of the time when the 5 top scoring poses were examined. On the other hand, docking to the apo CYP2D6 X-ray structure led to a loss in accuracy in predicting the sites of metabolism for many of the CYP2D6 substrates considered in this study. These results demonstrate the importance of describing substrate-induced conformational changes that occur upon binding. The best results were obtained using Glide SP with van der Waals scaling set to 0.8 for both the receptor and ligand atoms. A discussion of putative binding modes that explain the distribution of metabolic sites for substrates, as well as a relationship between the number of metabolic sites and substrate size, are also presented. In addition, analysis of these binding modes enabled us to rationalize the typical hydroxylation and O-demethylation reactions catalyzed by CYP2D6 as well as the less common N-dealkylation.

  4. Recent advances in 2D materials for photocatalysis.

    PubMed

    Luo, Bin; Liu, Gang; Wang, Lianzhou

    2016-04-07

    Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

  5. Internal Mode Structure of Resonant Field Amplification in DIII-D

    NASA Astrophysics Data System (ADS)

    Lanctot, M. J.; Navratil, G.; Reimerdes, H.; Bogatu, I. N.; in, Y.; Chu, M. S.; Garofalo, A. M.; Jackson, G. L.; La Haye, R. J.; Strait, E. J.; Turnbull, A. D.; Liu, Y. Q.; Okabayashi, M.; Solomon, W. M.

    2008-11-01

    The sensitivity of high-β plasmas to error fields is caused by a paramagnetic plasma response to error fields with a topology that is resonant with the structure of weakly-damped resistive wall modes (RWM), a phenomenon referred to as resonant field amplification (RFA) [1]. The RFA has been driven in DIII-D H-mode plasmas by applying slowly-rotating, low-n magnetic fields with a set of 12 coils located inside the vacuum vessel. Measurements of the RFA mode structure have been obtained using a pair of soft x-ray photodiode cameras. A virtual diagnostic has been developed to compare the measurements to the eigenfunctions for the free boundary external kink and the RWM, which were calculated using the stability codes GATO and MARS-F. Details of the analysis will be presented. 6pt [1] A.H. Boozer, Phys. Rev. Lett. 86, 5059 (2001).

  6. Low participation ratio vibrational modes in a limit-periodic structure

    NASA Astrophysics Data System (ADS)

    Marcoux, Catherine; Socolar, Joshua E. S.

    Motivated by the demonstration that patterned colloidal particles may form a limit-periodic phase, we study the nature of vibrational modes in a toy model based on the Taylor-Socolar tiling. We consider a triangular lattice of identical point masses with nearest neighbors connected by springs of two different strengths, where the pattern of spring constants reflects the limit-periodic structure of the tiling. Using calculations of the phonon spectra for crystalline approximants to the limit-periodic structure, we identify several hierarchies of modes shared by the full limit-periodic system that have arbitrarily low participation ratios. We present a heuristic explanation of the existence of such modes, which are robust in the presence of vacancies and small amounts of disorder in the spring constants. Supported by the NSF Research Triangle MRSEC (DMR-1121107).

  7. The Relative Effects of Explicit Correction and Recasts on Two Target Structures via Two Communication Modes

    ERIC Educational Resources Information Center

    Yilmaz, Yucel

    2012-01-01

    This study investigated the effects of negative feedback type (i.e., explicit correction vs. recasts), communication mode (i.e., face-to-face communication vs. synchronous computer-mediated communication), and target structure salience (i.e., salient vs. nonsalient) on the acquisition of two Turkish morphemes. Forty-eight native speakers of…

  8. Effects Of Three-Dimensional Conducting Structures On Resistive Wall Modes

    SciTech Connect

    Villone, Fabio

    2008-11-01

    This paper illustrates the effect of three-dimensional conducting structures on the evolution of Resistive Wall Modes (RWM) occurring in toroidal fusion devices. The CarMa code is used to derive the model, which then is used to design a feedback controller of RWMs. Some examples of application to the ITER geometry are reported.

  9. Investigation on a compact in-line multimode-single-mode-multimode fiber structure

    NASA Astrophysics Data System (ADS)

    Yin, Bin; Li, Yang; Liu, Zhi-bo; Feng, Suchun; Bai, Yunlong; Xu, Yao; Jian, Shuisheng

    2016-06-01

    We carried out a detailed investigation on a compact in-line multimode single-mode multimode (MSM) fiber structure. Both theoretical modal and experimental setup were established to demonstrate the transmission characteristics and the corresponding responses of the applied strain and temperature. The proposed structure simply involves a section of the single-mode fiber (SMF) spliced to two sections of multimode fiber (MMF) and lead-in and lead-out SMFs. The excited environment-sensitive cladding modes together with the fundamental mode in the central SMF form a typical Mach-Zehnder interferometer (MZI). We analyzed the transmission characteristics of the different length of the middle SMF and the MMF in detail. In the experiment, we obtained the extinction ratio of the MSM fiber structure based MZI comb spectrum which was up to 20 dB, and sensitivities of 0.7096 pm/με (0-2000 με) and 44.12 pm/°C (10-70 °C), which proved the potential sensing applications of the proposed fiber structure.

  10. RNA folding pathways and kinetics using 2D energy landscapes.

    PubMed

    Senter, Evan; Dotu, Ivan; Clote, Peter

    2015-01-01

    RNA folding pathways play an important role in various biological processes, such as (i) the hok/sok (host-killing/suppression of killing) system in E. coli to check for sufficient plasmid copy number, (ii) the conformational switch in spliced leader (SL) RNA from Leptomonas collosoma, which controls trans splicing of a portion of the '5 exon, and (iii) riboswitches--portions of the 5' untranslated region of messenger RNA that regulate genes by allostery. Since RNA folding pathways are determined by the energy landscape, we describe a novel algorithm, FFTbor2D, which computes the 2D projection of the energy landscape for a given RNA sequence. Given two metastable secondary structures A, B for a given RNA sequence, FFTbor2D computes the Boltzmann probability p(x, y) = Z(x,y)/Z that a secondary structure has base pair distance x from A and distance y from B. Using polynomial interpolationwith the fast Fourier transform,we compute p(x, y) in O(n(5)) time and O(n(2)) space, which is an improvement over an earlier method, which runs in O(n(7)) time and O(n(4)) space. FFTbor2D has potential applications in synthetic biology, where one might wish to design bistable switches having target metastable structures A, B with favorable pathway kinetics. By inverting the transition probability matrix determined from FFTbor2D output, we show that L. collosoma spliced leader RNA has larger mean first passage time from A to B on the 2D energy landscape, than 97.145% of 20,000 sequences, each having metastable structures A, B. Source code and binaries are freely available for download at http://bioinformatics.bc.edu/clotelab/FFTbor2D. The program FFTbor2D is implemented in C++, with optional OpenMP parallelization primitives.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. NKG2D ligands as therapeutic targets

    PubMed Central

    Spear, Paul; Wu, Ming-Ru; Sentman, Marie-Louise; Sentman, Charles L.

    2013-01-01

    The Natural Killer Group 2D (NKG2D) receptor plays an important role in protecting the host from infections and cancer. By recognizing ligands induced on infected or tumor cells, NKG2D modulates lymphocyte activation and promotes immunity to eliminate ligand-expressing cells. Because these ligands are not widely expressed on healthy adult tissue, NKG2D ligands may present a useful target for immunotherapeutic approaches in cancer. Novel therapies targeting NKG2D ligands for the treatment of cancer have shown preclinical success and are poised to enter into clinical trials. In this review, the NKG2D receptor and its ligands are discussed in the context of cancer, infection, and autoimmunity. In addition, therapies targeting NKG2D ligands in cancer are also reviewed. PMID:23833565

  13. Sensitivity of 2D IR Spectra to Peptide Helicity: A Concerted Experimental and Simulation Study of an Octapeptide

    PubMed Central

    Sengupta, Neelanjana; Maekawa, Hiroaki; Zhuang, Wei; Toniolo, Claudio; Mukamel, Shaul; Tobias, Douglas J.; Ge, Nien-Hui

    2010-01-01

    We have investigated the sensitivity of two-dimensional infrared (2D IR) spectroscopy to peptide helicity with an experimental and theoretical study of Z-[L-(αMe)Val]8-OtBu in CDCl3. 2D IR experiments were carried out in the amide-I region under the parallel and the double-crossed polarization configurations. In the latter polarization configuration, the 2D spectra taken with the rephasing and nonrephasing pulse sequences exhibit a doublet feature and a single peak, respectively. These cross-peak patterns are highly sensitive to the underlying peptide structure. Spectral calculations were performed on the basis of a vibrational exciton model, with the local mode frequencies and couplings calculated from snapshots of molecular dynamics (MD) simulation trajectories using six different models for the Hamiltonian. Conformationally variant segments of the MD trajectory, while reproducing the main features of the experimental spectra, are characterized by extraneous features, suggesting that the structural ensembles sampled by the simulation are too broad. By imposing periodic restraints on the peptide dihedral angles with the crystal structure as a reference, much better agreement between the measured and the calculated spectra was achieved. The result indicates that the structure of Z-[L-(αMe)Val]8-OtBu in CDCl3 is a fully developed 310-helix with only a small fraction of α-helical or nonhelical conformations in the middle of the peptide. Of the four different combinations of pulse sequences and polarization configurations, the nonrephasing double-crossed polarization 2D IR spectrum exhibits the highest sensitivity in detecting conformational variation. Of the six local mode frequency models tested, the electrostatic maps of Mukamel and Cho perform the best. Our results show that the high sensitivity of 2D IR spectroscopy can provide a useful basis for developing methods to improve the sampling accuracy of force fields and for characterizing the relative merits of

  14. Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal

    NASA Astrophysics Data System (ADS)

    Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel

    2015-10-01

    Combination of polycarboxylate anions and dipyridyl ligands is an effective strategy to produce solid coordination frameworks (SCF) which are crystalline materials based on connections between metal ions through organic ligands. In this context, this work is focused on two novel CuII-based SCFs exhibiting PDC (2,5-pyridinedicarboxylate) and bpa (1,2-di(4-pyridyl)ethane), being the first structures reported in literature containing both ligands. Chemical formula are [Cu2[(PDC)2(bpa)(H2O)2]·3H2O·DMF (1), and [Cu2(PDC)2(bpa)(H2O)2]·7H2O (2), where DMF is dimethylformamide. Compounds 1 and 2 have been characterized by means of X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric (TG) analysis, differential thermal analysis (DTA) and dielectric measurements. The crystallographic analysis revealed that compounds 1 and 2 can be described as herringbone-type layers formed by helicoidal Cu-PDC-Cu chains connected through bpa ligands. Solvent molecules are crystallized between the layers, providing the inter-layer connections through hydrogen bonds. Differences between both compounds are attributable to the flexibility of bpa (in 2D) as well as to the 3D packing of the layers which is solvent dependent. This fact results in the fact that compound 2 is the most regular 3-c herringbone array reported so far. The structural dynamism of these networks is responsible for the crystalline to-amorphous to-crystalline (CAC) transformation from compound 1 to compound 2. Crystallochemical features for both compounds have also been studied and compared to similar 3-connected herringbone-arrays.

  15. Metrology for graphene and 2D materials

    NASA Astrophysics Data System (ADS)

    Pollard, Andrew J.

    2016-09-01

    The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the

  16. A Finite Element Method for Computation of Structural Intensity by the Normal Mode Approach

    NASA Astrophysics Data System (ADS)

    Gavrić, L.; Pavić, G.

    1993-06-01

    A method for numerical computation of structural intensity in thin-walled structures is presented. The method is based on structural finite elements (beam, plate and shell type) enabling computation of real eigenvalues and eigenvectors of the undamped structure which then serve in evaluation of complex response. The distributed structural damping is taken into account by using the modal damping concept, while any localized damping is treated as an external loading, determined by use of impedance matching conditions and eigenproperties of the structure. Emphasis is given to aspects of accuracy of the results and efficiency of the numerical procedures used. High requirements on accuracy of the structural response (displacements and stresses) needed in intensity applications are satisfied by employing the "swept static solution", which effectively takes into account the influence of higher modes otherwise inaccessible to numerical computation. A comparison is made between the results obtained by using analytical methods and the proposed numerical procedure to demonstrate the validity of the method presented.

  17. 2D-3D transition of gold cluster anions resolved

    NASA Astrophysics Data System (ADS)

    Johansson, Mikael P.; Lechtken, Anne; Schooss, Detlef; Kappes, Manfred M.; Furche, Filipp

    2008-05-01

    Small gold cluster anions Aun- are known for their unusual two-dimensional (2D) structures, giving rise to properties very different from those of bulk gold. Previous experiments and calculations disagree about the number of gold atoms nc where the transition to 3D structures occurs. We combine trapped ion electron diffraction and state of the art electronic structure calculations to resolve this puzzle and establish nc=12 . It is shown that theoretical studies using traditional generalized gradient functionals are heavily biased towards 2D structures. For a correct prediction of the 2D-3D crossover point it is crucial to use density functionals yielding accurate jellium surface energies, such as the Tao-Perdew-Staroverov-Scuseria (TPSS) functional or the Perdew-Burke-Ernzerhof functional modified for solids (PBEsol). Further, spin-orbit effects have to be included, and large, flexible basis sets employed. This combined theoretical-experimental approach is promising for larger gold and other metal clusters.

  18. Bifurcation analysis of mode-locking structure in a Hodgkin-Huxley neuron under sinusoidal current

    NASA Astrophysics Data System (ADS)

    Lee, Sang-Gui; Kim, Seunghwan

    2006-04-01

    Nervous systems under periodic stimuli display rich dynamical states including mode-locking and chaotic responses, which have been a subject of intense studies in neurodynamics. The bifurcation structure of the Hodgkin-Huxley neuron under sinusoidal stimulus is studied in detail. The mechanisms of the firing onset and rich firing dynamics are studied with the help of the codimension-2 bifurcations, which play the role of the organizing center for myriads of saddle-node, period-doubling, and inverse-flip bifurcations forming the boundaries of the complex mode-locking structure. This study provides a useful insight into the organization of similar bifurcation structures in excitable systems such as neurons under periodic forcing.

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

    SciTech Connect

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

    1981-10-01

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

  20. Photo-structurable polymer for interlayer single-mode waveguide fabrication by femtosecond laser writing

    NASA Astrophysics Data System (ADS)

    Nguyen, Ho Hoai Duc; Hollenbach, Uwe; Pfirrmann, Stefan; Ostrzinski, Ute; Pfeiffer, Karl; Hengsbach, Stefan; Mohr, Juergen

    2017-04-01

    We present the fabrication and characterization of inter-layer single-mode light-guiding structures in a newly developed photo-structurable polymer via femtosecond laser writing. A host-guest polymer system utilizing external diffusion induces permanent and high refractive index modulation. Analyzing the complete curing and the impact of external diffusion on refractive index profile helps optimize the fabrication process. The fabrications of 4 × 2 array interconnect and 3-waveguide core fan-out device involve only a single layer, and need no stacking or alignment effort. The resulting pitch size and crosstalk between single-mode waveguides are 25 μm and -34 dB, respectively. Adding sensitizer into the photopolymer to increase its sensitivity in two-photon polymerization at a writing wavelength of 390 nm reduces the surface roughness of written structures by a factor of seven.

  1. Localization of surface modes along a periodic/quasiperiodic structure containing a left-handed material

    NASA Astrophysics Data System (ADS)

    Toledo-Solano, M.; Palomino-Ovando, M. A.; Lozada-Morales, R.

    2015-12-01

    We have investigated the optical properties of a one-dimensional (1-D) photonic periodic/quasiperiodic structure, designed as photonic crystal (PC)-Fibonacci (FN)-photonic crystal (PC) sections. The structure is composed of alternating layers of a right-handed material (RHM) and a left-handed material (LHM). The RHM dielectric function is frequency independent and the LHM (metamaterial) dielectric function and magnetic susceptibility are described according to the Drude model. Using attenuated total reflectivity geometry, we explore the coupling of light with the plasmons on the surface of the metamaterial layers of the hybrid structure. The excitation of surface modes in different frequency regions are investigated. We observed bands of surface modes with a significant selective spatial localization at which the intensity of the electric field is confined almost totally within one of the PC sections or within the FN one.

  2. Research on optical fiber magnetic field sensors based on multi-mode fiber and spherical structure

    NASA Astrophysics Data System (ADS)

    Wang, Yan; Tong, Zheng-rong; Zhang, Wei-hua; Luan, Pan-pan; Zhao, Yue; Xue, Li-fang

    2017-01-01

    A magnetic field sensor with a magnetic fluid (MF)-coated intermodal interferometer is proposed and experimentally demonstrated. The interferometer is formed by sandwiching a segment of single mode fiber (SMF) between a segment of multi-mode fiber (MMF) and a spherical structure. It can be considered as a cascade of the traditional SMF-MMF-SMF structure and MMF-SMF-sphere structure. The transmission spectral characteristics change with the variation of applied magnetic field. The experimental results exhibit that the magnetic field sensitivities for wavelength and transmission loss are 0.047 nm/mT and 0.215 dB/mT for the interference dip around 1 535.36 nm. For the interference dip around 1548.41nm, the sensitivities are 0.077 nm/mT and 0.243 dB/mT. Simultaneous measurement can be realized according to the different spectral responses.

  3. 'Soft' phonon modes, structured diffuse scattering and the crystal chemistry of Fe-bearing sphalerites

    SciTech Connect

    Withers, Ray L. . E-mail: withers@rsc.anu.edu.au; Welberry, T.R.; Pring, Allan; Tenailleau, Cristophe; Liu Yun

    2005-03-15

    Electron diffraction has been used to carefully investigate the reciprocal lattices of a range of iron-bearing sphaleri