WorldWideScience

Sample records for low-dimensional structures dependent

  1. Physics of low-dimensional semiconductor structures

    CERN Document Server

    March, Norman; Tosi, Mario

    1993-01-01

    Presenting the latest advances in artificial structures, this volume discusses in-depth the structure and electron transport mechanisms of quantum wells, superlattices, quantum wires, and quantum dots It will serve as an invaluable reference and review for researchers and graduate students in solid-state physics, materials science, and electrical and electronic engineering

  2. Future device applications of low-dimensional carbon superlattice structures

    Science.gov (United States)

    Bhattacharyya, Somnath

    2005-03-01

    We observe superior transport properties in low-dimensional amorphous carbon (a-C) and superlattice structures fabricated by a number of different techniques. Low temperature conductivity of these materials is explained using argument based on the crossover of dimensionality of weak localization and electron-electron interactions along with a change of sign of the magneto-resistance. These trends are significantly different from many other well characterized ordered or oriented carbon structures, and, show direct evidence of high correlation length, mobility and an effect of the dimensionality in low-dimensional a-C films. We show routes to prepare bespoke features by tuning the phase relaxation time in order to make high-speed devices over large areas. The artificially grown multi-layer superlattice structures of diamond-like amorphous carbon films show high-frequency resonance and quantum conductance suggesting sufficiently high values of phase coherence length in the present disordered a-C system that could lead to fast switching multi-valued logic.

  3. Low Dimensional Semiconductor Structures Characterization, Modeling and Applications

    CERN Document Server

    Horing, Norman

    2013-01-01

    Starting with the first transistor in 1949, the world has experienced a technological revolution which has permeated most aspects of modern life, particularly over the last generation. Yet another such revolution looms up before us with the newly developed capability to control matter on the nanometer scale. A truly extraordinary research effort, by scientists, engineers, technologists of all disciplines, in nations large and small throughout the world, is directed and vigorously pressed to develop a full understanding of the properties of matter at the nanoscale and its possible applications, to bring to fruition the promise of nanostructures to introduce a new generation of electronic and optical devices. The physics of low dimensional semiconductor structures, including heterostructures, superlattices, quantum wells, wires and dots is reviewed and their modeling is discussed in detail. The truly exceptional material, Graphene, is reviewed; its functionalization and Van der Waals interactions are included h...

  4. Characteristics of exciton photoluminescence kinetics in low-dimensional silicon structures

    CERN Document Server

    Sachenko, A V; Manojlov, E G; Svechnikov, S V

    2001-01-01

    The time-resolved visible photoluminescence of porous nanocrystalline silicon films obtained by laser ablation have been measured within the temperature range 90-300 K. A study has been made of the interrelationship between photoluminescence characteristics (intensity, emission spectra, relaxation times, their temperature dependencies and structural and dielectric properties (size and shapes of Si nanocrystals, oxide phase of nanocrystal coating, porosity). A photoluminescence model is proposed that describes photon absorption and emission occurring in quantum-size Si nanocrystals while coupled subsystems of electron-hole pairs and excitons take part in the recombination. Possible excitonic Auger recombination mechanism in low-dimensional silicon structures is considered

  5. Detection of Defect-Induced Magnetism in Low-Dimensional ZnO Structures by Magnetophotocurrent.

    Science.gov (United States)

    Lorite, Israel; Kumar, Yogesh; Esquinazi, Pablo; Zandalazini, Carlos; de Heluani, Silvia Perez

    2015-09-09

    The detection of defect-induced magnetic order in single low-dimensional oxide structures is in general difficult because of the relatively small yield of magnetically ordered regions. In this work, the effect of an external magnetic field on the transient photocurrent measured after light irradiation on different ZnO samples at room temperature is studied. It has been found that a magnetic field produces a change in the relaxation rate of the transient photocurrent only in magnetically ordered ZnO samples. This rate can decrease or increase with field, depending on whether the magnetically ordered region is in the bulk or only at the surface of the ZnO sample. The phenomenon reported here is of importance for the development of magneto-optical low-dimensional oxides devices and provides a new guideline for the detection of magnetic order in low-dimensional magnetic semiconductors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Low-Dimensional Organic-Inorganic Halide Perovskite: Structure, Properties, and Applications.

    Science.gov (United States)

    Misra, Ravi K; Cohen, Bat-El; Iagher, Lior; Etgar, Lioz

    2017-10-09

    Three-dimensional (3 D) perovskite has attracted a lot of attention owing to its success in photovoltaic (PV) solar cells. However, one of its major crucial issues lies in its stability, which has limited its commercialization. An important property of organic-inorganic perovskite is the possibility of forming a layered material by using long organic cations that do not fit into the octahedral cage. These long organic cations act as a "barrier" that "caps" 3 D perovskite to form the layered material. Controlling the number of perovskite layers could provide a confined structure with chemical and physical properties that are different from those of 3 D perovskite. This opens up a whole new batch of interesting materials with huge potential for optoelectronic applications. This Minireview presents the synthesis, properties, and structural orientation of low-dimensional perovskite. It also discusses the progress of low-dimensional perovskite in PV solar cells, which, to date, have performance comparable to that of 3 D perovskite but with enhanced stability. Finally, the use of low-dimensional perovskite in light-emitting diodes (LEDs) and photodetectors is discussed. The low-dimensional perovskites are promising candidates for LED devices, mainly because of their high radiative recombination as a result of the confined low-dimensional quantum well. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Evolution of structure with Fe layer thickness in low dimensional Fe/Tb multilayered structures

    International Nuclear Information System (INIS)

    Harris, V.G.; Aylesworth, K.D.; Elam, W.T.; Koon, N.C.; Coehoorn, R.; Hoving, W.

    1992-01-01

    This paper reports on the atomic structure of a series of low-dimensional Fe/Tb multilayered structures which has been explored using a conversion-electron, extended x-ray absorption fine structure (EXAFS) technique. A structural transition from a close-packed amorphous structure to a body-centered crystalline structure is detected to occur over an Fe layer thickness range of 12.5 Angstrom to 15.0 Angstrom (Tb thickness is held constant at 4.5 Angstrom). Magnetic properties, specifically, magnetization, anisotropy field, and Kerr rotation angle, are measured and found to change significantly in response to this transition. Exploitation of the polarization properties of synchrotron radiation allowed for the description of the atomic structure both perpendicular and parallel to the sample plane

  8. Experimental study on the spin-orbit coupling property in low-dimensional semiconductor structures

    International Nuclear Information System (INIS)

    Zhao, Hongming

    2010-01-01

    The spin-orbit coupling and optical properties have been studied in several low-dimensional semiconductor structures. First, the spin dynamics in (001) GaAs/AlGaAs two-dimensional electron gas was investigated by time resolved Kerr rotation technique under a transverse magnetic field. The in-plane spin lifetime is found to be anisotropic. The results show that the electron density in two-dimensional electron gas channel strongly affects the Rashba spin-orbit coupling. Then, a large anisotropy of the magnitude of in-plane conduction electron g factor in asymmetric (001) GaAs/AlGaAs QWs was observed and its tendency of temperature dependence was studied. Second, the experimental study of the in-plane-orientation dependent spin splitting in the C(0001) GaN/AlGaN two-dimensional electron gas at room temperature was reported. The measurement of circular photo-galvanic effect current clearly shows the isotropic in-plane spin splitting in this system for the first time. Third, the first measurement of conduction electron g factor in GaAsN at room temperature was done by using time resolved Kerr rotation technique. It demonstrates that the g factor can be modified drastically by introducing a small amount of nitrogen in GaAs bulk. Finally, the optical characteristic of indirect type II transition in a series of size and shape-controlled linear CdTe/CdSe/CdTe heterostructure nano-rods was studied by steady-state and time resolved photoluminescence. Results show the steady transfer from the direct optical transition (type I) within CdSe to the indirect transition (type II) between CdSe/CdTe as the length of the nano-rods increases. (author)

  9. How to measure the cooper pair mass using plasmons in low-dimensional superconductor structures

    International Nuclear Information System (INIS)

    Mishonov, T.M.

    1990-06-01

    The creation of the Cooper pair mass-spectroscopy is suggested. The plasmons in low-dimensional superconductor structures (layers or wires in dielectric background) are theoretically considered to that purpose. The Cooper pair mass m * can be determined by measurements of the Doppler shift of the plasmon frequency when a direct current is applied through the superconductor. The plasmons with frequency ω lower than the superconducting gap 2 Δ can be detected by the same fare-infrared (FIR) absorption technique and grating couplings used previously for investigation of two-dimension (2D) plasmons in semiconductor microstructures. (author). 17 refs, 2 figs

  10. Electron-hole liquid in semiconductors and low-dimensional structures

    Science.gov (United States)

    Sibeldin, N. N.

    2017-11-01

    The condensation of excitons into an electron-hole liquid (EHL) and the main EHL properties in bulk semiconductors and low-dimensional structures are considered. The EHL properties in bulk materials are discussed primarily in qualitative terms based on the experimental results obtained for germanium and silicon. Some of the experiments in which the main EHL thermodynamic parameters (density and binding energy) have been obtained are described and the basic factors that determine these parameters are considered. Topics covered include the effect of external perturbations (uniaxial strain and magnetic field) on EHL stability; phase diagrams for a nonequilibrium exciton-gas-EHL system; information on the size and concentration of electron-hole drops (EHDs) under various experimental conditions; the kinetics of exciton condensation and of recombination in the exciton-gas-EHD system; dynamic EHD properties and the motion of EHDs under the action of external forces; the properties of giant EHDs that form in potential wells produced by applying an inhomogeneous strain to the crystal; and effects associated with the drag of EHDs by nonequilibrium phonons (phonon wind), including the dynamics and formation of an anisotropic spatial structure of the EHD cloud. In discussing EHLs in low-dimensional structures, a number of studies are reviewed on the observation and experimental investigation of phenomena such as spatially indirect (dipolar) electron-hole and exciton (dielectric) liquids in GaAs/AlGaAs structures with double quantum wells (QWs), EHDs containing only a few electron-hole pairs (dropletons), EHLs in type-I silicon QWs, and spatially direct and dipolar EHLs in type-II silicon-germanium heterostructures.

  11. Low-Dimensional Material: Structure-Property Relationship and Applications in Energy and Environmental Engineering

    Science.gov (United States)

    Xiao, Hang

    In the past several decades, low-dimensional materials (0D materials, 1D materials and 2D materials) have attracted much interest from both the experimental and theoretical points of view. Because of the quantum confinement effect, low-dimensional materials have exhibited a kaleidoscope of fascinating phenomena and unusual physical and chemical properties, shedding light on many novel applications. Despite the enormous success has been achieved in the research of low-dimensional materials, there are three fundamental challenges of research in low-dimensional materials: 1) Develop new computational tools to accurately describe the properties of low-dimensional materials with low computational cost. 2) Predict and synthesize new low-dimensional materials with novel properties. 3) Reveal new phenomenon induced by the interaction between low-dimensional materials and the surrounding environment. In this thesis, atomistic modelling tools have been applied to address these challenges. We first developed ReaxFF parameters for phosphorus and hydrogen to give an accurate description of the chemical and mechanical properties of pristine and defected black phosphorene. ReaxFF for P/H is transferable to a wide range of phosphorus and hydrogen containing systems including bulk black phosphorus, blue phosphorene, edge-hydrogenated phosphorene, phosphorus clusters and phosphorus hydride molecules. The potential parameters were obtained by conducting global optimization with respect to a set of reference data generated by extensive ab initio calculations. We extended ReaxFF by adding a 60° correction term which significantly improved the description of phosphorus clusters. Emphasis was placed on the mechanical response of black phosphorene with different types of defects. Compared to the nonreactive SW potential of phosphorene, ReaxFF for P/H systems provides a significant improvement in describing the mechanical properties of the pristine and defected black phosphorene, as well

  12. Low-Dimensional Organic Tin Bromide Perovskites and Their Photoinduced Structural Transformation.

    Science.gov (United States)

    Zhou, Chenkun; Tian, Yu; Wang, Mingchao; Rose, Alyssa; Besara, Tiglet; Doyle, Nicholas K; Yuan, Zhao; Wang, Jamie C; Clark, Ronald; Hu, Yanyan; Siegrist, Theo; Lin, Shangchao; Ma, Biwu

    2017-07-24

    Hybrid organic-inorganic metal halide perovskites possess exceptional structural tunability, with three- (3D), two- (2D), one- (1D), and zero-dimensional (0D) structures on the molecular level all possible. While remarkable progress has been realized in perovskite research in recent years, the focus has been mainly on 3D and 2D structures, with 1D and 0D structures significantly underexplored. The synthesis and characterization of a series of low-dimensional organic tin bromide perovskites with 1D and 0D structures is reported. Using the same organic and inorganic components, but at different ratios and reaction conditions, both 1D (C 4 N 2 H 14 )SnBr 4 and 0D (C 4 N 2 H 14 Br) 4 SnBr 6 can be prepared in high yields. Moreover, photoinduced structural transformation from 1D to 0D was investigated experimentally and theoretically in which photodissociation of 1D metal halide chains followed by structural reorganization leads to the formation of a more thermodynamically stable 0D structure. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. NATO Advanced Research Workshop on Thin Film Growth Techniques for Low-Dimensional Structures

    CERN Document Server

    Parkin, S; Dobson, P; Neave, J; Arrott, A

    1987-01-01

    This work represents the account of a NATO Advanced Research Workshop on "Thin Film Growth Techniques for Low Dimensional Structures", held at the University of Sussex, Brighton, England from 15-19 Sept. 1986. The objective of the workshop was to review the problems of the growth and characterisation of thin semiconductor and metal layers. Recent advances in deposition techniques have made it possible to design new material which is based on ultra-thin layers and this is now posing challenges for scientists, technologists and engineers in the assessment and utilisation of such new material. Molecular beam epitaxy (MBE) has become well established as a method for growing thin single crystal layers of semiconductors. Until recently, MBE was confined to the growth of III-V compounds and alloys, but now it is being used for group IV semiconductors and II-VI compounds. Examples of such work are given in this volume. MBE has one major advantage over other crystal growth techniques in that the structure of the growi...

  14. Correlation of Photocatalytic Activity with Band Structure of Low-dimensional Semiconductor Nanostructures

    Science.gov (United States)

    Meng, Fanke

    Photocatalytic hydrogen generation by water splitting is a promising technique to produce clean and renewable solar fuel. The development of effective semiconductor photocatalysts to obtain efficient photocatalytic activity is the key objective. However, two critical reasons prevent wide applications of semiconductor photocatalysts: low light usage efficiency and high rates of charge recombination. In this dissertation, several low-dimensional semiconductors were synthesized with hydrothermal, hydrolysis, and chemical impregnation methods. The band structures of the low-dimensional semiconductor materials were engineered to overcome the above mentioned two shortcomings. In addition, the correlation between the photocatalytic activity of the low-dimensional semiconductor materials and their band structures were studied. First, we studied the effect of oxygen vacancies on the photocatalytic activity of one-dimensional anatase TiO2 nanobelts. Given that the oxygen vacancy plays a significant role in band structure and photocatalytic performance of semiconductors, oxygen vacancies were introduced into the anatase TiO2 nanobelts during reduction in H2 at high temperature. The oxygen vacancies of the TiO2 nanobelts boosted visible-light-responsive photocatalytic activity but weakened ultraviolet-light-responsive photocatalytic activity. As oxygen vacancies are commonly introduced by dopants, these results give insight into why doping is not always beneficial to the overall photocatalytic performance despite increases in absorption. Second, we improved the photocatalytic performance of two-dimensional lanthanum titanate (La2Ti2 O7) nanosheets, which are widely studied as an efficient photocatalyst due to the unique layered crystal structure. Nitrogen was doped into the La2Ti2O7 nanosheets and then Pt nanoparticles were loaded onto the La2Ti2O7 nanosheets. Doping nitrogen narrowed the band gap of the La2Ti 2O7 nanosheets by introducing a continuum of states by the valence

  15. EMRS Spring Meeting 2014 Symposium D: Phonons and fluctuations in low dimensional structures

    International Nuclear Information System (INIS)

    2014-01-01

    The E-MRS 2014 Spring meeting, held from 26-30th May 2014 in Lille included the Symposium D entitled ''Phonons and Fluctuations in Low Dimensional Structures'', the first edition of its kind. The symposium was organised in response to the increasing interest in the study of phonons in the context of advances in condensed matter physics, electronics, experimental methods and theory and, in particular, the transfer of energy across atomic interfaces and the propagation of energy in the nm-scale. Steering heat by light or vice versa and examining nano-scale energy conversion (as in thermoelectricity and harvesting e.g. in biological systems) are two aspects that share the underlying science of energy processes across atomic interfaces and energy propagation in the nanoscale and or in confined systems. The nanometer scale defies several of the bulk relationships as confinement of electrons and phonons, locality and non-equilibrium become increasingly important. The propagation of phonons as energy carriers impacts not only heat transfer, but also the very concept and handling of temperature in non-equilibrium and highly localised conditions. Much of the needed progress depends on the materials studied and this symposium targeted the interface material aspects as well as the emerging concepts to advance in this field. The symposium had its origins in a series of meetings and seminars including: (1) the first Phonon Engineering Workshop, funded by Catalan Institute for Research and Advanced Studies (ICREA), the then MICINN, the CNRS, VTT, and several EU projects, held in Saint Feliu de Guixols (Girona, Spain) from 24th to 27th of May 2010 with 65 participants from Europe, the USA and Japan; (2) the first Phonons and Fluctuations workshop, held in Paris on 8th and 9th November 2010, supported by French, Spanish and Finnish national projects and EU projects, attended by about 50 researchers; (3) the second Phonon and Fluctuations workshop, held in Paris

  16. EMRS Spring Meeting 2014 Symposium D: Phonons and fluctuations in low dimensional structures

    Science.gov (United States)

    2014-11-01

    The E-MRS 2014 Spring meeting, held from 26-30th May 2014 in Lille included the Symposium D entitled ''Phonons and Fluctuations in Low Dimensional Structures'', the first edition of its kind. The symposium was organised in response to the increasing interest in the study of phonons in the context of advances in condensed matter physics, electronics, experimental methods and theory and, in particular, the transfer of energy across atomic interfaces and the propagation of energy in the nm-scale. Steering heat by light or vice versa and examining nano-scale energy conversion (as in thermoelectricity and harvesting e.g. in biological systems) are two aspects that share the underlying science of energy processes across atomic interfaces and energy propagation in the nanoscale and or in confined systems. The nanometer scale defies several of the bulk relationships as confinement of electrons and phonons, locality and non-equilibrium become increasingly important. The propagation of phonons as energy carriers impacts not only heat transfer, but also the very concept and handling of temperature in non-equilibrium and highly localised conditions. Much of the needed progress depends on the materials studied and this symposium targeted the interface material aspects as well as the emerging concepts to advance in this field. The symposium had its origins in a series of meetings and seminars including: (1) the first Phonon Engineering Workshop, funded by Catalan Institute for Research and Advanced Studies (ICREA), the then MICINN, the CNRS, VTT, and several EU projects, held in Saint Feliu de Guixols (Girona, Spain) from 24th to 27th of May 2010 with 65 participants from Europe, the USA and Japan; (2) the first Phonons and Fluctuations workshop, held in Paris on 8th and 9th November 2010, supported by French, Spanish and Finnish national projects and EU projects, attended by about 50 researchers; (3) the second Phonon and Fluctuations workshop, held in Paris on 8th and 9th

  17. On the application of the partition of unity method for nonlocal response of low-dimensional structures

    Science.gov (United States)

    Natarajan, Sundararajan

    2014-12-01

    The main objectives of the paper are to (1) present an overview of nonlocal integral elasticity and Aifantis gradient elasticity theory and (2) discuss the application of partition of unity methods to study the response of low-dimensional structures. We present different choices of approximation functions for gradient elasticity, namely Lagrange intepolants, moving least-squares approximants and non-uniform rational B-splines. Next, we employ these approximation functions to study the response of nanobeams based on Euler-Bernoulli and Timoshenko theories as well as to study nanoplates based on first-order shear deformation theory. The response of nanobeams and nanoplates is studied using Eringen's nonlocal elasticity theory. The influence of the nonlocal parameter, the beam and the plate aspect ratio and the boundary conditions on the global response is numerically studied. The influence of a crack on the axial vibration and buckling characteristics of nanobeams is also numerically studied.

  18. (TMTSF)2X materials and structural implications for low-dimensional polymeric and disordered molecular semiconductors

    DEFF Research Database (Denmark)

    Bechgaard, Klaus; Nielsen, Martin Meedom; Krebs, Frederik C

    2000-01-01

    The structural characteristics and the relation to the electronic properties of three types of molecular materials are discussed. In TMTSF2X salts a triclinic unit cell it suggested to be important in avoiding a 2k(F) Peierls distortion. In polythiophenes appropriate ordering of microcrystallites...

  19. EXAFS as a tool for investigation of the local environment of Ge atoms in buried low-dimensional structures

    International Nuclear Information System (INIS)

    Demchenko, I.N.; Lawniczak-Jablonska, K.; Liliental-Weber, Z.; Zakharov, D.N.; Zhuravlev, K.S.

    2005-01-01

    In spite of large number of articles dedicated to the investigation of GeSi islands, a lot of problems concerning growth mechanism and island composition, as well as elastic strains inside the QDs, are still unsolved. To solve such problems, the GeSi low dimensional structures were studied by Extended X-Ray Absorption Fine Structure (EXAFS). The aim of this investigation was to get knowledge about the local structure around Ge atoms inside formed quantum dots. The paper presents a series of measurements performed for a single Ge layer buried in the silicon matrix at A1 station at the HASYLAB/DESY (Germany) with the angle of 45 o between the incident beam and sample surface. The fluorescence, total electron yield and the transmission modes of detection were used. To confirm the EXAFS analysis conclusion more measurements were performed using transmission electron microscopy (TEM). The low temperature samples with 8-20 ML of Ge were investigated by cross-section and plan-view TEM. The reported results of TEM studies of the local structure of germanium quantum dots (QDs) in Si/Ge/Si '' sandwich '' structures are in good correlation with EXAFS conclusion

  20. Hot-carrier solar cells using low-dimensional quantum structures

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Daiki; Kasamatsu, Naofumi; Harada, Yukihiro; Kita, Takashi [Department of Electrical and Electronic Engineering, Graduate School of Engineering, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-10-27

    We propose a high-conversion-efficiency solar cell (SC) utilizing the hot carrier (HC) population in an intermediate-band (IB) of a quantum dot superlattice (QDSL) structure. The bandgap of the host semiconductor in this device plays an important role as an energy-selective barrier for HCs in the QDSLs. According to theoretical calculation using the detailed balance model with an air mass 1.5 spectrum, the optimum IB energy is determined by a trade-off relation between the number of HCs with energy exceeding the conduction-band edge and the number of photons absorbed by the valence band−IB transition. Utilizing experimental data of HC temperature in InAs/GaAs QDSLs, the maximum conversion efficiency under maximum concentration (45 900 suns) has been demonstrated to increase by 12.6% as compared with that for a single-junction GaAs SC.

  1. Low-dimensional compounds containing cyanido groups. XXIV. Crystal structure, spectroscopic and thermal properties of two Cu(II) tetracyanidoplatinate complexes with tetradentate N-donor ligands

    Czech Academy of Sciences Publication Activity Database

    Vávra, M.; Potočňák, I.; Dušek, Michal

    2014-01-01

    Roč. 409, JAN (2014), s. 441-448 ISSN 0020-1693 Institutional support: RVO:68378271 Keywords : structure analysis * low-dimensional compounds * cyanido group Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.046, year: 2014

  2. Electronic structure and properties of NbS{sub 2} and TiS{sub 2} low dimensional structures

    Energy Technology Data Exchange (ETDEWEB)

    Gueller, F., E-mail: guller@tandar.cnea.gov.ar [Centro Atomico Constituyentes, GIyANN, CNEA, San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, C1033AAJ Buenos Aires (Argentina); Helman, C. [Centro Atomico Constituyentes, GIyANN, CNEA, San Martin, Buenos Aires (Argentina); Llois, A.M. [Centro Atomico Constituyentes, GIyANN, CNEA, San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, C1033AAJ Buenos Aires (Argentina); Departamento de Fisica Juan Jose Giambiagi, FCEyN, UBA, Buenos Aires (Argentina)

    2012-08-15

    Transition metal dichalcogenides have a laminar structure, weakly bound through van der Waals interactions. Due to their technological applications in catalytic processes the bulk structure of many of them has been widely studied in the last 30 years. Some of them, such as NbTe{sub 2} and TiSe{sub 2}, show superconductivity and have been, therefore, the subject of intense study. Novoselov et al. (2005) achieved to isolate not only graphene but also other bidimensional crystals, among them layers of some dichalcogenides. These bidimensional crystals preserve their monocrystallinity under normal ambient conditions, keeping the crystal structure of the bulk. In this contribution we calculate the magnetic and electronic properties of 2D layers of NbS{sub 2} (non-magnetic metal in 3D) and TiS{sub 2} (non-magnetic semimetal in 3D) as well as quasi 1D chains cut out from these layers.

  3. Regions of Different Confinement in Low-Dimensional AlyInxGa1−x−yN Quantum Structures

    Directory of Open Access Journals (Sweden)

    A. Gröning

    2007-01-01

    Full Text Available The optical properties of metal-organic vapor phase epitaxy grown AlyInxGa1−x−yN quantum dot structures have been studied by time-resolved photoluminescence experiments. We investigated the recombination dynamics of the photo-exited carriers in dependence of the growth parameters such as aluminium flow and the duration of the growth interruption after the dot deposition. Our results confirm the presence of localized states, where the degree of localization is strongly dependent on the growth conditions. To describe this behavior, we propose a band structure with coupled potentials for these nanostructures. Finally, we demonstrate state filling to prove the zero-dimensional character of the strongly localized states in our quaternary quantum dots.

  4. Recent advances in imaging of properties and growth of low dimensional structures for photonics and electronics by XPEEM

    International Nuclear Information System (INIS)

    Zakharov, A.A.; Mikkelsen, A.; Andersen, J.N.

    2012-01-01

    Highlights: ► 3d electronic band mapping is made using XPEEM. ► Free-standing graphene on SiC can be made by atomic intercalation. ► XPEEM gives a deeper insight into growth of self-seeded III–V nanowires. ► Presents controlled self-propelled droplet dynamics on GaP surface. ► Presents punp-probe experiments in the attosecond time range. -- Abstract: Spectroscopic Photoemission and Low Energy Electron Microscopy (SPELEEM) is a very powerful and diverse microscopy technique for the investigation of surfaces, interfaces, buried layers and nanoscale objects like nanoparticles and nanowires. The many significant results from photoemission Electron microscopy (PEEM) in recent years are linked with the exploitation of advanced light sources such as synchrotrons and new advanced laser systems. Combined also with low energy electron microscopy (LEEM) it allows a complementary chemical and structural analysis making LEEM/PEEM a versatile multitechnique instrument. To illustrate the extreme diversity, we give a summary of the recent studies with the SPELEEM installed at the soft X-ray beamline I311 at the MAXII synchrotron storage ring and a portable electrostatic PEEM used with ultra-fast XUV laser technology. The examples cover topics such as full-cone 3D band mapping by using the photoelectron diffraction mode of the microscope, growth mechanism and detailed doping profile of III–V nanowires, growth and intercalation of graphene on SiC substrates, droplet dynamics on GaP(1 1 1) surface, surface chemistry and control of nanostructure fabrication. Moreover, the first results of PEEM experiments using extreme ultraviolet attosecond pulse trains are discussed.

  5. Fabrication, Characterization, Properties, and Applications of Low-Dimensional BiFeO3 Nanostructures

    Directory of Open Access Journals (Sweden)

    Heng Wu

    2014-01-01

    Full Text Available Low-dimensional BiFeO3 nanostructures (e.g., nanocrystals, nanowires, nanotubes, and nanoislands have received considerable attention due to their novel size-dependent properties and outstanding multiferroic properties at room temperature. In recent years, much progress has been made both in fabrications and (microstructural, electrical, and magnetic in characterizations of BiFeO3 low-dimensional nanostructures. An overview of the state of art in BiFeO3 low-dimensional nanostructures is presented. First, we review the fabrications of high-quality BiFeO3 low-dimensional nanostructures via a variety of techniques, and then the structural characterizations and physical properties of the BiFeO3 low-dimensional nanostructures are summarized. Their potential applications in the next-generation magnetoelectric random access memories and photovoltaic devices are also discussed. Finally, we conclude this review by providing our perspectives to the future researches of BiFeO3 low-dimensional nanostructures and some key problems are also outlined.

  6. Low-dimensional molecular metals

    CERN Document Server

    Toyota, Naoki; Muller, Jens

    2007-01-01

    Assimilating research in the field of low-dimensional metals, this monograph provides an overview of the status of research on quasi-one- and two-dimensional molecular metals, describing normal-state properties, magnetic field effects, superconductivity, and the phenomena of interacting p and d electrons.

  7. Physics of low-dimensional systems

    International Nuclear Information System (INIS)

    Anon.

    1989-01-01

    The physics of low-dimensional systems has developed in a remarkable way over the last decade and has accelerated over the last few years, in particular because of the discovery of the new high temperature superconductors. The new developments started more than fifteen years ago with the discovery of the unexpected quasi-one-dimensional character of the TTF-TCNQ. Since then the field of conducting quasi-one-dimensional organic system have been rapidly growing. Parallel to the experimental work there has been an important theoretical development of great conceptual importance, such as charge density waves, soliton-like excitations, fractional charges, new symmetry properties etc. A new field of fundamental importance was the discovery of the Quantum Hall Effect in 1980. This field is still expanding with new experimental and theoretical discoveries. In 1986, then, came the totally unexpected discovery of high temperature superconductivity which started an explosive development. The three areas just mentioned formed the main themes of the Symposium. They do not in any way exhaust the progress in low-dimensional physics. We should mention the recent important development with both two-dimensional and one-dimensional and even zero-dimensional structures (quantum dots). The physics of mesoscopic systems is another important area where the low dimensionality is a key feature. Because of the small format of this Symposium we could unfortunately not cover these areas

  8. CT Image Reconstruction in a Low Dimensional Manifold

    OpenAIRE

    Cong, Wenxiang; Wang, Ge; Yang, Qingsong; Hsieh, Jiang; Li, Jia; Lai, Rongjie

    2017-01-01

    Regularization methods are commonly used in X-ray CT image reconstruction. Different regularization methods reflect the characterization of different prior knowledge of images. In a recent work, a new regularization method called a low-dimensional manifold model (LDMM) is investigated to characterize the low-dimensional patch manifold structure of natural images, where the manifold dimensionality characterizes structural information of an image. In this paper, we propose a CT image reconstruc...

  9. Learning Low-Dimensional Metrics

    OpenAIRE

    Jain, Lalit; Mason, Blake; Nowak, Robert

    2017-01-01

    This paper investigates the theoretical foundations of metric learning, focused on three key questions that are not fully addressed in prior work: 1) we consider learning general low-dimensional (low-rank) metrics as well as sparse metrics; 2) we develop upper and lower (minimax)bounds on the generalization error; 3) we quantify the sample complexity of metric learning in terms of the dimension of the feature space and the dimension/rank of the underlying metric;4) we also bound the accuracy ...

  10. Fermi level splitting and thermionic current improvement in low-dimensional multi-quantum-well (MQW) p-i-n structures

    International Nuclear Information System (INIS)

    Varonides, Argyrios C.

    2006-01-01

    Photo-excitation and subsequent thermionic currents are essential components of photo-excited carrier transport in multi-quantum-well photovoltaic (hetero-PV) structures. p-i-n multi-quantum structures are useful probes for a better understanding of PV device properties. Illumination of the intrinsic region of p-i-n multi-structures causes carrier trapping in any of the quantum wells, and subsequent carrier recombination or thermal escape is possible. At the vicinity of a quantum well, we find that the (quasi) Fermi levels undergo an upward split by a small, but non-negligible, energy amount ΔE F in the order of 12 meV. We conclude this fact by comparing the photo-excited carriers trapped in a quantum well, under illumination, to the carrier concentrations under dark. Based on such a prediction, we subsequently relate thermionic current density dependence on Fermi level splitting, concluding that excess thermal currents may increase by a factor of the order of 2. We conclude that illumination causes (a) Fermi level separation and (b) an apparent increase in thermionic currents

  11. PREFACE: Dynamics of low-dimensional systems Dynamics of low-dimensional systems

    Science.gov (United States)

    Bernasconi, M.; Miret-Artés, S.; Toennies, J. P.

    2012-03-01

    vibrational spectra of clusters and carbon-based nanostructures, just to name a few of the low-dimensional systems addressed in this special issue, can be both accurately computed from first principles and measured experimentally. Even less computationally demanding semi-empirical simulations based on tight-binding or continuum models play a crucial role in assessing, for instance, the interplay between morphology, defects and the elastic properties of low-dimensional systems. The impressive amount of work and progress achieved in the past decade within the general theory and spectroscopy of the dynamics of low-dimensional systems is marked by several relevant trends that are exemplified by the contributions gathered together in this special issue. They span a wide spectrum of experimental and theoretical methods applied to the study of the dynamical properties of low-dimensional systems and new emerging phenomena at the nanoscale, such as the peculiar optical properties of ring shaped quantum dots, plasmon dynamics in metallic nanoclusters and the relaxation dynamics of nanomagnets. This issue is dedicated to our esteemed colleague Giorgio Benedek on the occasion of his 70th birthday. It collects together a number of papers written by authors from all over the world with a recognized reputation in the above mentioned fields where Giorgio Benedek has made important and fundamental contributions. Dynamics of low-dimensional systems contents Narratives Giorgio Benedek: an extraordinary universal scientist M Bernasconi, S Miret-Artés and J P Toennies Helium and carbon: two friends for life Giorgio Benedek Special Issue Papers Temperature dependence in atom-surface scattering Eli Pollak and J R Manson Density functional study of the decomposition pathways of SiH3 and GeH3 at the Si(100) and Ge(100) surfaces M Ceriotti, F Montalenti and M Bernasconi Comparative study of vibrations in submonolayer structures of potassium on Pt(111) G G Rusina, S V Eremeev, S D Borisova and E V

  12. Low-dimensional chaotic attractors in drift wave turbulence

    International Nuclear Information System (INIS)

    Persson, M.; Nordman, H.

    1991-01-01

    Simulation results of toroidal η i -mode turbulence are analyzed using mathematical tools of nonlinear dynamics. Low-dimensional chaotic attractors are found in the strongly nonlinear regime while in the weakly interacting regime the dynamics is high dimensional. In both regimes, the solutions are found to display sensitive dependence on initial conditions, characterized by a positive largest Liapunov exponent. (au)

  13. Optical properties of low-dimensional materials

    CERN Document Server

    Ogawa, T

    1998-01-01

    This book surveys recent theoretical and experimental studies of optical properties of low-dimensional materials. As an extended version of Optical Properties of Low-Dimensional Materials (Volume 1, published in 1995 by World Scientific), Volume 2 covers a wide range of interesting low-dimensional materials including both inorganic and organic systems, such as disordered polymers, deformable molecular crystals, dilute magnetic semiconductors, SiGe/Si short-period superlattices, GaAs quantum wires, semiconductor microcavities, and photonic crystals. There are excellent review articles by promis

  14. Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

    KAUST Repository

    Sahu, R.

    2017-03-08

    We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

  15. Low-Dimensional Network Formation in Molten Sodium Carbonate.

    Science.gov (United States)

    Wilding, Martin C; Wilson, Mark; Alderman, Oliver L G; Benmore, Chris; Weber, J K R; Parise, John B; Tamalonis, Anthony; Skinner, Lawrie

    2016-04-15

    Molten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molten sodium carbonate (Na2CO3) which combines high energy X-ray diffraction, containerless techniques and computer simulation to provide insight into the liquid structure. Total structure factors (F(x)(Q)) are collected on the laser-heated carbonate spheres suspended in flowing gases of varying composition in an aerodynamic levitation furnace. The respective partial structure factor contributions to F(x)(Q) are obtained by performing molecular dynamics simulations treating the carbonate anions as flexible entities. The carbonate liquid structure is found to be heavily temperature-dependent. At low temperatures a low-dimensional carbonate chain network forms, at T = 1100 K for example ~55% of the C atoms form part of a chain. The mean chain lengths decrease as temperature is increased and as the chains become shorter the rotation of the carbonate anions becomes more rapid enhancing the diffusion of Na(+) ions.

  16. Low-dimensional compounds containing cyanido groups. XXVIII. Crystal structure, spectroscopic and magnetic properties of two copper(II) tetracyanidoplatinate complexes with 1,2-diaminopropane

    Czech Academy of Sciences Publication Activity Database

    Vavra, M.; Potočňák, I.; Dušek, Michal; Čižmár, E.; Ozerov, M.; Zvyagin, S.A.

    2015-01-01

    Roč. 225, May (2015), s. 202-208 ISSN 0022-4596 Institutional support: RVO:68378271 Keywords : spectroscopic studies * magnetic properties * crystal structure * [Pt(CN) ]2- anion * 1,2-diaminopropane Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.265, year: 2015

  17. Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

    KAUST Repository

    Sahu, R.; Bhat, U.; Batra, Nitin M; Sharona, H.; Vishal, B.; Sarkar, S.; Devi, Assa Aravindh Sasikala; Peter, S. C.; Roqan, Iman S.; Costa , P. M. F. J.; Datta, Ranjan

    2017-01-01

    We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition

  18. Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids

    NARCIS (Netherlands)

    Kamminga, Machteld E.; Fang, Honghua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacobus; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.

    2016-01-01

    We use a layered solution crystal growth technique to synthesize high-quality single crystals of phenylalkylammonium lead iodide organic/inorganic hybrid compounds. Single-crystal X-ray diffraction reveals low-dimensional structures consisting of inorganic sheets separated by bilayers of the organic

  19. Low-dimensional compounds containing cyanido groups. XXVIII. Crystal structure, spectroscopic and magnetic properties of two copper(II) tetracyanidoplatinate complexes with 1,2-diaminopropane

    International Nuclear Information System (INIS)

    Vavra, Martin; Potočňák, Ivan; Dušek, Michal; Čižmár, Erik; Ozerov, Mykhaylo; Zvyagin, Sergei A.

    2015-01-01

    Violet crystals of ([Cu(pn) 2 ] 2 [Pt(CN) 4 ])[Pt(CN) 4 ]·2H 2 O (1, pn=1,2-diaminopropane) and blue crystals of [Cu(pn)Pt(CN) 4 ] n ·nH 2 O (2) were prepared under hydrothermal conditions and characterized using elemental analysis, IR and UV–vis spectroscopy and by X-ray crystal structure analysis. Different number of ν(C≡N) absorption bands of these two compounds reflects their different structures. An X-ray crystal structure analysis has shown that complex 1 is of ionic character and is formed from trinuclear [Cu(pn) 2 –Pt(CN) 4 –Cu(pn) 2 ] 2+ complex cation and discrete [Pt(CN) 4 ] 2– anion together with two molecules of crystal water. On the other hand, complex 2 is of polymeric character and is formed by 2D networks of [Cu(pn)Pt(CN) 4 ] n composition and completed by n molecules of crystal water. Magnetic measurements show the presence of a weak antiferromagnetic exchange interaction in complex 1 (Θ=–0.2 K), while the magnetic susceptibility of complex 2 is well described by the model of uniform S=1/2 spin chain with exchange interaction J/k B =–1.64 K. - Graphical abstract: Two complexes of different structural types from the system Cu(II) – 1,2–diaminopropane – [Pt(CN) 4 ] 2– have been isolated. These were characterized by IR and UV–VIS spectroscopy, X–ray crystal structure analysis together with the magnetic measurements. On one hand ([Cu(pn) 2 ] 2 [Pt(CN) 4 ])[Pt(CN) 4 ]∙2H 2 O is of ionic character and is formed from trinuclear complex cation and discrete anion together with two molecules of crystal water. On the other hand, [Cu(pn)Pt(CN) 4 ] n ∙nH 2 O is of polymeric character and is formed by 2D networks of [Cu(pn)Pt(CN) 4 ] n composition and completed by n molecules of crystal water. - Highlights: • Two complexes of different compositions from one system have been isolated. • First complex is of ionic character and second one is of polymeric character. • Polymeric complex described as a spin chain in contrast to

  20. Quantum Phenomena in Low-Dimensional Systems

    OpenAIRE

    Geller, Michael R.

    2001-01-01

    A brief summary of the physics of low-dimensional quantum systems is given. The material should be accessible to advanced physics undergraduate students. References to recent review articles and books are provided when possible.

  1. Low-dimensional chaos in a hydrodynamic system

    International Nuclear Information System (INIS)

    Brandstater, A.; Swift, J.; Swinney, H.L.; Wolf, A.; Farmer, J.D.; Jen, E.; Crutchfield, J.P.

    1983-01-01

    Evidence is presented for low-dimensional strange attractors in Couette-Taylor flow data. Computations of the largest Lyapunov exponent and metric entropy show that the system displays sensitive dependence on initial conditions. Although the phase space is very high dimensional, analysis of experimental data shows that motion is restricted to an attractor of dimension less than 5 for Reynolds numbers up to 30% above the onset of chaos. The Lyapunov exponent, entropy, and dimension all generally increase with Reynolds number

  2. Low Dimensionality Effects in Complex Magnetic Oxides

    Science.gov (United States)

    Kelley, Paula J. Lampen

    Complex magnetic oxides represent a unique intersection of immense technological importance and fascinating physical phenomena originating from interwoven structural, electronic and magnetic degrees of freedom. The resulting energetically close competing orders can be controllably selected through external fields. Competing interactions and disorder represent an additional opportunity to systematically manipulate the properties of pure magnetic systems, leading to frustration, glassiness, and other novel phenomena while finite sample dimension plays a similar role in systems with long-range cooperative effects or large correlation lengths. A rigorous understanding of these effects in strongly correlated oxides is key to manipulating their functionality and device performance, but remains a challenging task. In this dissertation, we examine a number of problems related to intrinsic and extrinsic low dimensionality, disorder, and competing interactions in magnetic oxides by applying a unique combination of standard magnetometry techniques and unconventional magnetocaloric effect and transverse susceptibility measurements. The influence of dimensionality and disorder on the nature and critical properties of phase transitions in manganites is illustrated in La0.7 Ca0.3MnO3, in which both size reduction to the nanoscale and chemically-controlled quenched disorder are observed to induce a progressive weakening of the first-order nature of the transition, despite acting through the distinct mechanisms of surface effects and site dilution. In the second-order material La0.8Ca0.2MnO3, a strong magnetic field is found to drive the system toward its tricritical point as competition between exchange interactions in the inhomogeneous ground state is suppressed. In the presence of large phase separation stabilized by chemical disorder and long-range strain, dimensionality has a profound effect. With the systematic reduction of particle size in microscale-phase-separated (La, Pr

  3. Magnetic resonance of low dimensional magnetic solids

    Energy Technology Data Exchange (ETDEWEB)

    Gatteschi, D.; Ferraro, F.; Sessoli, R. (Florence Univ. (Italy))

    1994-06-01

    The utility of EPR and NMR in the study of low-dimensional magnetic solids is shown. A short summary of the basis of magnetic resonance in these systems is reported, and the importance of spin-diffusion and magnetic anisotropy evidenced. Some results from experiments on metal-radical chains and clusters are presented. (authors). 37 refs., 7 figs.

  4. Magnetic resonance of low dimensional magnetic solids

    International Nuclear Information System (INIS)

    Gatteschi, D.; Ferraro, F.; Sessoli, R.

    1994-01-01

    The utility of EPR and NMR in the study of low-dimensional magnetic solids is shown. A short summary of the basis of magnetic resonance in these systems is reported, and the importance of spin-diffusion and magnetic anisotropy evidenced. Some results from experiments on metal-radical chains and clusters are presented. (authors). 37 refs., 7 figs

  5. Unexpected magnetism in low dimensional systems: the role of symmetry

    International Nuclear Information System (INIS)

    Munoz, MC; Chico, L; Lopez-Sancho, MP; Beltran, JI; Gallego, S; Cerda, J

    2006-01-01

    The symmetry underlying the geometric structure of materials determines most of their physical properties. In low dimensional systems the role of symmetry is enhanced and can give rise to new phenomena. Here, we report on unexpected magnetism in carbon nanotubes and O-rich surfaces of ionic oxides, to show how its existence is closely related to the symmetry conditions. First, based on tight-binding models, we demonstrate that chiral carbon nanotubes present spin splitting at the Fermi level in the absence of a magneticfield, whereas achiral tubes preserve spin degeneracy. These remarkably different behaviors of chiral and non-chiral nanotubes are due to the intrinsic symmetry dependence of the spin-orbit interaction. Second, the occurrence of spin-polarization at ZrO 2 , Al 2 O 3 and MgO surfaces is proved by means of abinitio calculations within the density functional theory. Large spin moments develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments mainly reside in the surface oxygen atoms, and their origin is related to the existence of 2p holes of well-defined spin polarization at the valence band of the ionic oxide. The direct relation between magnetization and local loss of donor charge shows that at the origin of these phenomena is the reduced surface symmetry

  6. Spin dependent photon structure functions

    International Nuclear Information System (INIS)

    Manohar, A.V.; Massachusetts Inst. of Tech., Cambridge

    1989-01-01

    Spin dependent structure functions of the photon are studied using the operator product expansion. There are new twist-two photon and gluon operators which contribute. The structure functions g 1 and F 3 are calculable in QCD, but differ from their free quark values. The corrections to F 3 are suppressed by 1/log Q 2 . The calculation is an extension of the analysis of Witten for the spin averaged structure functions F 1 and F 2 . (orig.)

  7. Topotactic reduction as a synthetic route for the preparation of low-dimensional Mn(II) oxide phases: the structure and magnetism of LaAMnO(4-x) (A = Sr, Ba).

    Science.gov (United States)

    Kitchen, Helen J; Saratovsky, Ian; Hayward, Michael A

    2010-07-14

    Reaction of LaSrMnO(4) with CaH(2) at 420 degrees C yields LaSrMnO(3.67(3)). Raising the temperature to 480 degrees C yields the Mn(II) phase LaSrMnO(3.50(2)). Neutron powder diffraction data show both phases adopt body-centred orthorhombic crystal structures (LaSrMnO(3.67(3)), Immm: a = 3.7256(1) A, b = 3.8227(1) A, c = 13.3617(4) A; LaSrMnO(3.50(2)), Immm: a = 3.7810(1) A, b = 3.7936(1) A, c = 13.3974(3) A) with anion vacancies located within the equatorial MnO(2-x) planes of the materials. Analogous reactivity is observed between LaBaMnO(4) and CaH(2) to yield body-centred tetragonal reduced phases (LaBaMnO(3.53(3)), I4/mmm: a = 3.8872(1)A, c = 13.6438(2) A). Low-temperature neutron diffraction and magnetisation data show that LaSrMnO(3.5) and LaBaMnO(3.5) exhibit three-dimensional antiferromagnetic order below 155 K and 135 K respectively. Above these temperatures, they exhibit two-dimensional antiferromagnetic order with paramagnetic behaviour observed above 480 K in both phases. The origin of the low dimensional magnetic order and ordering of the anion vacancies in the reduced phases is discussed.

  8. Dependency Structures for Statistical Machine Translation

    Science.gov (United States)

    Bach, Nguyen

    2012-01-01

    Dependency structures represent a sentence as a set of dependency relations. Normally the dependency structures from a tree connect all the words in a sentence. One of the most defining characters of dependency structures is the ability to bring long distance dependency between words to local dependency structures. Another the main attraction of…

  9. Low dimensional modeling of wall turbulence

    Science.gov (United States)

    Aubry, Nadine

    2015-11-01

    In this talk we will review the original low dimensional dynamical model of the wall region of a turbulent boundary layer [Aubry, Holmes, Lumley and Stone, Journal of Fluid Dynamics 192, 1988] and discuss its impact on the field of fluid dynamics. We will also invite a few researchers who would like to make brief comments on the influence Lumley had on their research paths. In collaboration with Philip Holmes, Program in Applied and Computational Mathematics and Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ.

  10. Topological organization of (low-dimensional) chaos

    International Nuclear Information System (INIS)

    Tufillaro, N.B.

    1992-01-01

    Recent progress toward classifying low-dimensional chaos measured from time series data is described. This classification theory assigns a template to the time series once the time series is embedded in three dimensions. The template describes the primary folding and stretching mechanisms of phase space responsible for the chaotic motion. Topological invariants of the unstable periodic orbits in the closure of the strange set are calculated from the (reconstructed) template. These topological invariants must be consistent with ampersand ny model put forth to describe the time series data, and are useful in invalidating (or gaining confidence in) any model intended to describe the dynamical system generating the time series

  11. Selfsimilar time dependent shock structures

    International Nuclear Information System (INIS)

    Beck, R.; Drury, L.O.

    1985-01-01

    Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The same argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions

  12. Selfsimilar time dependent shock structures

    Science.gov (United States)

    Beck, R.; Drury, L. O.

    1985-01-01

    Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The ame argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions.

  13. Mechanical properties of low dimensional materials

    Science.gov (United States)

    Saini, Deepika

    Recent advances in low dimensional materials (LDMs) have paved the way for unprecedented technological advancements. The drive to reduce the dimensions of electronics has compelled researchers to devise newer techniques to not only synthesize novel materials, but also tailor their properties. Although micro and nanomaterials have shown phenomenal electronic properties, their mechanical robustness and a thorough understanding of their structure-property relationship are critical for their use in practical applications. However, the challenges in probing these mechanical properties dramatically increase as their dimensions shrink, rendering the commonly used techniques inadequate. This dissertation focuses on developing techniques for accurate determination of elastic modulus of LDMs and their mechanical responses under tensile and shear stresses. Fibers with micron-sized diameters continuously undergo tensile and shear deformations through many phases of their processing and applications. Significant attention has been given to their tensile response and their structure-tensile properties relations are well understood, but the same cannot be said about their shear responses or the structure-shear properties. This is partly due to the lack of appropriate instruments that are capable of performing direct shear measurements. In an attempt to fill this void, this dissertation describes the design of an inexpensive tabletop instrument, referred to as the twister, which can measure the shear modulus (G) and other longitudinal shear properties of micron-sized individual fibers. An automated system applies a pre-determined twist to the fiber sample and measures the resulting torque using a sensitive optical detector. The accuracy of the instrument was verified by measuring G for high purity copper and tungsten fibers. Two industrially important fibers, IM7 carbon fiber and KevlarRTM 119, were found to have G = 17 and 2.4 GPa, respectively. In addition to measuring the shear

  14. Stability and electronic properties of low-dimensional nanostructures

    Science.gov (United States)

    Guan, Jie

    As the devices used in daily life become smaller and more concentrated, traditional three-dimensional (3D) bulk materials have reached their limit in size. Low-dimensional nanomaterials have been attracting more attention in research and getting widely applied in many industrial fields because of their atomic-level size, unique advanced properties, and varied nanostructures. In this thesis, I have studied the stability and mechanical and electronic properties of zero-dimensional (0D) structures including carbon fullerenes, nanotori, metallofullerenes and phosphorus fullerenes, one-dimensional (1D) structures including carbon nanotubes and phosphorus nanotubes, as well as two-dimensional (2D) structures including layered transition metal dichalcogenides (TMDs), phosphorene and phosphorus carbide (PC). I first briefly introduce the scientific background and the motivation of all the work in this thesis. Then the computational techniques, mainly density functional theory (DFT), are reviewed in Chapter 2. In Chapter 3, I investigate the stability and electronic structure of endohedral rare-earth metallofullerene La C60 and the trifluoromethylized La C60(CF3)n with n ≤ 5. Odd n is preferred due to the closed-shell electronic configuration or large HOMO-LUMO gap, which is also meaningful for the separation of C 60-based metallofullerenes. Mechanical and electronic properties of layered materials including TMDs and black phosphorus are studied in Chapter 4 and 5. In Chapter 4, a metallic NbSe2/semiconducting WSe2 bilayer is investigated and besides a rigid band shift associated with charge transfer, the presence of NbSe2 does not modify the electronic structure of WSe2. Structural similarity and small lattice mismatch results in the heterojunction being capable of efficiently transferring charge acrossthe interface. In Chapter 5, I investigate the dependence of stability and electronic band structure on the in-layer strain in bulk black phosphorus. In Chapters 6, 7 and

  15. Anticipatory synchronization via low-dimensional filters

    International Nuclear Information System (INIS)

    Pyragiene, T.; Pyragas, K.

    2017-01-01

    An anticipatory chaotic synchronization scheme based on a low-order all-pass filter is proposed. The filter is designed as a Padé approximation to the transfer function of an ideal delay line, which is used in a standard Voss scheme. We show that despite its simplicity, the filter works in an anticipatory scheme as well as an ideal delay line. It provides extremely small synchronization error in the whole interval of anticipation time where the anticipatory manifold is stable. The efficacy of our scheme is explained by an analytically solvable model of unidirectionally coupled unstable spirals and confirmed numerically by an example of unidirectionally coupled chaotic Rössler systems. - Highlights: • A new coupling scheme for anticipating chaotic synchronization is proposed. • The scheme consists of a drive system coupled to a low-dimensional filter. • Long-term anticipation is achieved without using time-delay terms. • An analytical treatment estimates the maximum anticipation time. • The method is verified for the Rössler system.

  16. Anticipatory synchronization via low-dimensional filters

    Energy Technology Data Exchange (ETDEWEB)

    Pyragiene, T., E-mail: tatjana.pyragiene@ftmc.lt; Pyragas, K.

    2017-06-15

    An anticipatory chaotic synchronization scheme based on a low-order all-pass filter is proposed. The filter is designed as a Padé approximation to the transfer function of an ideal delay line, which is used in a standard Voss scheme. We show that despite its simplicity, the filter works in an anticipatory scheme as well as an ideal delay line. It provides extremely small synchronization error in the whole interval of anticipation time where the anticipatory manifold is stable. The efficacy of our scheme is explained by an analytically solvable model of unidirectionally coupled unstable spirals and confirmed numerically by an example of unidirectionally coupled chaotic Rössler systems. - Highlights: • A new coupling scheme for anticipating chaotic synchronization is proposed. • The scheme consists of a drive system coupled to a low-dimensional filter. • Long-term anticipation is achieved without using time-delay terms. • An analytical treatment estimates the maximum anticipation time. • The method is verified for the Rössler system.

  17. Quantum Fluctuations of Low Dimensional Bose-Einstein ...

    African Journals Online (AJOL)

    A system of low dimensional condensed ultracold atomic gases inside a field of a laser-driven optical cavity exhibits dispersive optical bistability. During such a process the system also shows quantum fluctuations. Condensate fluctuations are highly manifested particularly in low dimensional systems. In this paper we have ...

  18. Lack of evidence for low-dimensional chaos in heart rate variability

    DEFF Research Database (Denmark)

    Kanters, J K; Holstein-Rathlou, N H; Agner, E

    1994-01-01

    INTRODUCTION: The term chaos is used to describe erratic or apparently random time-dependent behavior in deterministic systems. It has been suggested that the variability observed in the normal heart rate may be due to chaos, but this question has not been settled. METHODS AND RESULTS: Heart rate...... in the experimental data, but the prediction error as a function of the prediction length increased at a slower rate than characteristic of a low-dimensional chaotic system. CONCLUSION: There is no evidence for low-dimensional chaos in the time series of RR intervals from healthy human subjects. However, nonlinear...

  19. Jordan-Wigner fermionization and the theory of low-dimensional quantum spin models

    International Nuclear Information System (INIS)

    Derzhko, O.

    2007-01-01

    The idea of mapping quantum spin lattice model onto fermionic lattice model goes back to Jordan and Wigner (1928) who transformed s = 1/2 operators which commute at different lattice sites into fermionic operators. Later on the Jordan-Wigner transformation was used for mapping one-dimensional s = 1/2 isotropic XY (XX) model onto an exactly solvable tight-binding model of spinless fermions (Lieb, Schultz and Mattis, 1961). Since that times the Jordan-Wigner transformation is known as a powerful tool in the condensed matter theory especially in the theory of low-dimensional quantum spin systems. The aim of these lectures is to review the applications of the Jordan-Wigner fermionization technique for calculating dynamic properties of low-dimensional quantum spin models. The dynamic quantities (such as dynamic structure factors or dynamic susceptibilities) are observable directly or indirectly in various experiments. The frequency and wave-vector dependence of the dynamic quantities yields valuable information about the magnetic structure of materials. Owing to a tremendous recent progress in synthesizing low-dimensional magnetic materials detailed comparisons of theoretical results with direct experimental observation are becoming possible. The lectures are organized as follows. After a brief introduction of the Jordan-Wigner transformation for one-dimensional spin one half systems and some of its extensions for higher dimensions and higher spin values we focus on the dynamic properties of several low-dimensional quantum spin models. We start from a famous s = 1/2 XX chain. As a first step we recall well-known results for dynamics of the z-spin-component fluctuation operator and then turn to dynamics of the dimer and trimer fluctuation operators. The dynamics of the trimer fluctuations involves both the two fermion (one particle and one hole) and the four-fermion (two particles and two holes) excitations. We discuss some properties of the two-fermion and four

  20. Electronic properties and phase transitions in low-dimensional semiconductors

    International Nuclear Information System (INIS)

    Panich, A M

    2008-01-01

    We present the first review of the current state of the literature on electronic properties and phase transitions in TlX and TlMX 2 (M = Ga, In; X = Se, S, Te) compounds. These chalcogenides belong to a family of the low-dimensional semiconductors possessing chain or layered structure. They are of significant interest because of their highly anisotropic properties, semi- and photoconductivity, nonlinear effects in their I-V characteristics (including a region of negative differential resistance), switching and memory effects, second harmonic optical generation, relaxor behavior and potential applications for optoelectronic devices. We review the crystal structure of TlX and TlMX 2 compounds, their transport properties under ambient conditions, experimental and theoretical studies of the electronic structure, transport properties and semiconductor-metal phase transitions under high pressure, and sequences of temperature-induced structural phase transitions with intermediate incommensurate states. The electronic nature of the ferroelectric phase transitions in the above-mentioned compounds, as well as relaxor behavior, nanodomains and possible occurrence of quantum dots in doped and irradiated crystals is discussed. (topical review)

  1. Quantum Fluctuations of Low Dimensional Bose-Einstein ...

    African Journals Online (AJOL)

    Tadesse

    that low dimensional quantum gases exhibit not only highly fascinating .... 2009; Marquardt and Girvin, 2009; Law, 1995; Vitali et al., 2007). ... ideal playground to test correlations between light and mesoscopic objects, to understand the.

  2. Common phase diagram for low-dimensional superconductors

    International Nuclear Information System (INIS)

    Michalak, Rudi

    2003-01-01

    A phenomenological phase diagram which has been derived for high-temperature superconductors from NMR Knight-shift measurements of the pseudogap is compared to the phase diagram that is obtained for organic superconductors and spin-ladder superconductors, both low-dimensional systems. This is contrasted to the phase diagram of some Heavy Fermion superconductors, i.e. superconductors not constrained to a low dimensionality

  3. Thermoelectric properties of low-dimensional clathrates from first principles

    Science.gov (United States)

    Kasinathan, Deepa; Rosner, Helge

    2011-03-01

    Type-I inorganic clathrates are host-guest structures with the guest atoms trapped in the framework of the host structure. From a thermoelectric point of view, they are interesting because they are semiconductors with adjustable bandgaps. Investigations in the past decade have shown that type-I clathrates X8 Ga 16 Ge 30 (X = Ba, Sr, Eu) may have the unusual property of ``phonon glass-electron crystal'' for good thermoelectric materials. Among the known clathrates, Ba 8 Ga 16 Ge 30 has the highest figure of merit (ZT~1). To enable a more widespread usage of thermoelectric technology power generation and heating/cooling applications, ZT of at least 2-3 is required. Two different research approaches have been proposed for developing next generation thermoelectric materials: one investigating new families of advanced bulk materials, and the other studying low-dimensional materials. In our work, we concentrate on understanding the thermoelectric properties of the nanostructured Ba-based clathrates. We use semi-classical Boltzmann transport equations to calculate the various thermoelectric properties as a function of reduced dimensions. We observe that there exists a delicate balance between the electrical conductivity and the electronic part of the thermal conductivity in reduced dimensions. Insights from these results can directly be used to control particle size in nanostructuring experiments.

  4. Phonons in low-dimensional systems

    International Nuclear Information System (INIS)

    Mayer, A P; Bonart, D; Strauch, D

    2004-01-01

    An introduction is given to the dynamical properties of crystalline systems having lattice-translational symmetry in less than three dimensions. These include surfaces of and interfaces between crystals, layered structures (2D lattice periodicity), bars and wires (1D lattice periodicity), as well as crystallites and clusters that have no lattice translational symmetry at all. In addition, superlattices are covered as artificial materials, giving rise to interesting dynamical effects. Crystal surfaces and crystalline bars are considered in some detail. For these systems, changes of the atomic equilibrium positions in comparison to the corresponding bulk crystals are also discussed since they frequently affect the dynamical properties

  5. Dynamic colloidal assembly pathways via low dimensional models

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yuguang; Bevan, Michael A., E-mail: mabevan@jhu.edu [Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Thyagarajan, Raghuram; Ford, David M. [Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003 (United States)

    2016-05-28

    Here we construct a low-dimensional Smoluchowski model for electric field mediated colloidal crystallization using Brownian dynamic simulations, which were previously matched to experiments. Diffusion mapping is used to infer dimensionality and confirm the use of two order parameters, one for degree of condensation and one for global crystallinity. Free energy and diffusivity landscapes are obtained as the coefficients of a low-dimensional Smoluchowski equation to capture the thermodynamics and kinetics of microstructure evolution. The resulting low-dimensional model quantitatively captures the dynamics of different assembly pathways between fluid, polycrystal, and single crystals states, in agreement with the full N-dimensional data as characterized by first passage time distributions. Numerical solution of the low-dimensional Smoluchowski equation reveals statistical properties of the dynamic evolution of states vs. applied field amplitude and system size. The low-dimensional Smoluchowski equation and associated landscapes calculated here can serve as models for predictive control of electric field mediated assembly of colloidal ensembles into two-dimensional crystalline objects.

  6. Low-dimensional compounds containing cyano groups. XVII. Crystal structure, spectroscopic, thermal and magnetic properties of [Cu(bmen)2][Pt(CN)4] (bmen=N,N'-dimethylethylenediamine)

    International Nuclear Information System (INIS)

    Potocnak, Ivan; Vavra, Martin; Cizmar, Erik; Kajnakova, Marcela; Radvakova, Alena; Steinborn, Dirk; Zvyagin, Sergei A.; Wosnitza, Jochen; Feher, Alexander

    2009-01-01

    The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure along the a axis. The Cu(II) atoms are hexacoordinated by four nitrogen atoms in the equatorial plane belonging to two molecules of bidentate bmen ligands with average Cu-N distance of 2.043(18) A. The axial positions are occupied by two nitrogen atoms from bridging [Pt(CN) 4 ] 2- anions at a longer axial Cu-N distance of 2.490(4) A. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =0.6 K. Despite the one-dimensional (1D) character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional (2D) square-lattice Heisenberg magnet with weak interlayer coupling. - Graphical abstract: The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =-0.6 K. Despite the one-dimensional character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional square-lattice Heisenberg magnet with weak interlayer coupling

  7. Low-dimensional compounds containing cyano groups. XIV. Crystal structure, spectroscopic, thermal and magnetic properties of [CuL 2][Pt(China)4] complexes (L=ethylenediamine or N,N-dimethylethylenediamine)

    International Nuclear Information System (INIS)

    Potocnak, Ivan; Vavra, Martin; Cizmar, Erik; Tibenska, Katarina; Orendacova, Alzbeta; Steinborn, Dirk; Wagner, Christoph; Dusek, Michal; Fejfarova, Karla; Schmidt, Harry; Muller, Thomas; Orendac, Martin; Feher, Alexander

    2006-01-01

    Violet crystals of [Cu(en) 2 ][Pt(China) 4 ] and blue crystals of [Cu(dmen) 2 ][Pt(China) 4 ] were crystallized from the water-methanol solution containing CuCl 2 .2H 2 O, ethylenediamine (en) or N,N-dimethylethylenediamine (dmen) and K 2 [Pt(China) 4 ].3H 2 O. Both compounds were characterized using elemental analysis, infrared and UV-VIS spectroscopy, magnetic measurements, specific heat measurements and thermal analysis. X-ray structure analysis revealed chain-like structure in both compounds. The covalent chains are built of Cu(II) ions linked by [Pt(China) 4 ] 2- anions in the [111] and [101] direction, respectively. The Cu(II) atoms are hexacoordinated by four nitrogen atoms in the equatorial plane from two molecules of bidentate ligands L with average Cu-N distance of 2.022(2) and 2.049(4) A, respectively. Axial positions are occupied by two nitrogen atoms from bridging [Pt(China) 4 ] 2- anions at longer Cu-N distance of 2.537(2) and 2.600(5) A, respectively. Both materials are characterized by the presence of weak antiferromagnetic exchange coupling. Despite the one-dimensional (1D) character of the structure, the analysis of magnetic properties and specific heat at very low temperatures shows that [Cu(en) 2 ][Pt(China) 4 ] behaves as two-dimensional (2D) spatially anisotropic square lattice Heisenberg magnet, while more pronounced influence of interlayer coupling is observed in [Cu(dmen) 2 ][Pt(China) 4 ]. - Graphical abstract: Chain-like structure in [Cu(en) 2 ][Pt(China) 4 ] (R=H) and [Cu(dmen) 2 ][Pt(China) 4 ] (R=CH 3 ) compounds

  8. Scientific data interpolation with low dimensional manifold model

    Science.gov (United States)

    Zhu, Wei; Wang, Bao; Barnard, Richard; Hauck, Cory D.; Jenko, Frank; Osher, Stanley

    2018-01-01

    We propose to apply a low dimensional manifold model to scientific data interpolation from regular and irregular samplings with a significant amount of missing information. The low dimensionality of the patch manifold for general scientific data sets has been used as a regularizer in a variational formulation. The problem is solved via alternating minimization with respect to the manifold and the data set, and the Laplace-Beltrami operator in the Euler-Lagrange equation is discretized using the weighted graph Laplacian. Various scientific data sets from different fields of study are used to illustrate the performance of the proposed algorithm on data compression and interpolation from both regular and irregular samplings.

  9. Scientific data interpolation with low dimensional manifold model

    International Nuclear Information System (INIS)

    Zhu, Wei; Wang, Bao; Barnard, Richard C.; Hauck, Cory D.

    2017-01-01

    Here, we propose to apply a low dimensional manifold model to scientific data interpolation from regular and irregular samplings with a significant amount of missing information. The low dimensionality of the patch manifold for general scientific data sets has been used as a regularizer in a variational formulation. The problem is solved via alternating minimization with respect to the manifold and the data set, and the Laplace–Beltrami operator in the Euler–Lagrange equation is discretized using the weighted graph Laplacian. Various scientific data sets from different fields of study are used to illustrate the performance of the proposed algorithm on data compression and interpolation from both regular and irregular samplings.

  10. Dynamic screening and electron dynamics in low-dimensional metal systems

    International Nuclear Information System (INIS)

    Silkin, V.M.; Quijada, M.; Vergniory, M.G.; Alducin, M.; Borisov, A.G.; Diez Muino, R.; Juaristi, J.I.; Sanchez-Portal, D.; Chulkov, E.V.; Echenique, P.M.

    2007-01-01

    Recent advances in the theoretical description of dynamic screening and electron dynamics in metallic media are reviewed. The time-dependent building-up of screening in different situations is addressed. Perturbative and non-perturbative theories are used to study electron dynamics in low-dimensional systems, such as metal clusters, image states, surface states and quantum wells. Modification of the electronic lifetimes due to confinement effects is analyzed as well

  11. Lagrangian structures, integrability and chaos for 3D dynamical equations 45.20.Jj Lagrangian and Hamiltonian mechanics; 02.30.Ik Integrable systems; 05.45.Ac Low-dimensional chaos;

    CERN Document Server

    Bustamante, M D

    2003-01-01

    In this paper, we consider the general setting for constructing action principles for three-dimensional first-order autonomous equations. We present the results for some integrable and non-integrable cases of the Lotka-Volterra equation, and show Lagrangian descriptions which are valid for systems satisfying Shil'nikov criteria on the existence of strange attractors, though chaotic behaviour has not been verified up to now. The Euler-Lagrange equations we get for these systems usually present 'time reparametrization' invariance, though other kinds of invariance may be found according to the kernel of the associated symplectic 2-form. The formulation of a Hamiltonian structure (Poisson brackets and Hamiltonians) for these systems from the Lagrangian viewpoint leads to a method of finding new constants of the motion starting from known ones, which is applied to some systems found in the literature known to possess a constant of the motion, to find the other and thus showing their integrability. In particular, w...

  12. Lagrangian structures, integrability and chaos for 3D dynamical equations[45.20.Jj Lagrangian and Hamiltonian mechanics; 02.30.Ik Integrable systems; 05.45.Ac Low-dimensional chaos;

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Miguel D [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile (Chile); Hojman, Sergio A [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile (Chile)

    2003-01-10

    In this paper, we consider the general setting for constructing action principles for three-dimensional first-order autonomous equations. We present the results for some integrable and non-integrable cases of the Lotka-Volterra equation, and show Lagrangian descriptions which are valid for systems satisfying Shil'nikov criteria on the existence of strange attractors, though chaotic behaviour has not been verified up to now. The Euler-Lagrange equations we get for these systems usually present 'time reparametrization' invariance, though other kinds of invariance may be found according to the kernel of the associated symplectic 2-form. The formulation of a Hamiltonian structure (Poisson brackets and Hamiltonians) for these systems from the Lagrangian viewpoint leads to a method of finding new constants of the motion starting from known ones, which is applied to some systems found in the literature known to possess a constant of the motion, to find the other and thus showing their integrability. In particular, we show that the so-called ABC system is completely integrable if it possesses one constant of the motion.

  13. Quantum confinement effects in low-dimensional systems

    Indian Academy of Sciences (India)

    2015-06-03

    Jun 3, 2015 ... Quantum confinement effects in low-dimensional systems. Figure 5. (a) Various cuts of the three-dimensional data showing energy vs. momen- tum dispersion relations for Ag film of 17 ML thickness on Ge(111). (b) Photo- emission intensity maps along ¯M– ¯ – ¯K direction. (c) Substrate bands replotted ...

  14. Shape control synthesis of low-dimensional calcium sulfate

    Indian Academy of Sciences (India)

    Shape control synthesis of low-dimensional calcium sulfate .... C in mixed solvents of 50 mL ethanol and 30 mL water for different reaction times was characterized by .... Duan X, Huang Y, Cui Y, Wang J and Lieber C M 2001 Nature 409 66.

  15. Neutron scattering studies of low dimensional magnetic systems

    DEFF Research Database (Denmark)

    Hansen, Ursula Bengård

    investigated at low temperaturesand in a longitudinal magnetic eld using neutron spectroscopy. Here we observe thehybridisation of the magnon bound states, inherent to the low dimensional nature ofCoCl2 · 2D2O.At higher temperature, signatures which can be attributed to Magnetic Bloch Oscillationsis observed...

  16. ELS-LEED-study of low-dimensional plasmons in DySi2 layers and nanowires

    International Nuclear Information System (INIS)

    Rugeramigabo, Eddy Patrick

    2007-01-01

    Low-dimensional dysprosium silicide metal systems grown on Si have been characterized by means of energy loss spectroscopy of low energy electron diffraction. The several silicide phases depending on the growth conditions have been observed. Moreover collective charge excitations were clearly detected and identified as low-dimensional plasmons which have a different dispersion compared to the well known bulk and surface plasmons. Dy-silicide has been grown on Si(111) by means of molecular beam epitaxy. Due to its small lattice mismatch (-0.3%) to Si(111), Dy-silicide grows in epitaxial high quality crystalline layers. In the submonolayer regime, many silicide phases coexist until the silicide coverage approaches 1ML, and shows the characteristic 1 x 1 diffraction pattern with the stoichiometry DySi 2 . With further increasing of the coverage, the silicide turns to the multilayer phase. The collective electronic excitations in the monolayer structure have been found to have a 2D-character. Accordingly the plasmon dispersion reaches zero in the long-wavelength limit (at vanishing wave number q) and shows a √(q) behaviour until it entered the domain of strong damping. When grown on Si (001) the Dy-silicide formed an array of parallel nanowires, in the direction normal to the dimer row direction and their length was limited by the crossing of another nanowire. A structure dependent energy loss was observed: the energy loss were only sufficiently intense when the 7 x 2 reconstruction has formed. An possibility of creating vast area with only parallel nanowires in one direction was performed on vicinal Si(001) with four degree miscut. At the same coverage where the 7 x 2 reconstruction occurs on flat Si(001), it was surprising that, besides the 7 x 2 periodicity, the diffraction pattern revealed a mixture of phases, with periodicities ranging from the 10 x 2 to that of the 7 x 2, which was observed as the limit of shifting reflex positions. We were able to confirm the

  17. INTRODUCTION: Physics of Low-dimensional Systems: Nobel Symposium 73

    Science.gov (United States)

    Lundqvist, Stig

    1989-01-01

    The physics of low-dimensional systems has developed in a remarkable way over the last decade and has accelerated over the last few years, in particular because of the discovery of the new high temperature superconductors. The new developments started more than fifteen years ago with the discovery of the unexpected quasi-one-dimensional character of the TTF-TCNQ. Since then the field of conducting quasi-one-dimensional organic systems have been rapidly growing. Parallel to the experimental work there has been an important theoretical development of great conceptual importance, such as charge density waves, soliton-like excitations, fractional charges, new symmetry properties etc. A new field of fundamental importance was the discovery of the Quantum Hall Effect in 1980. This field is still expanding with new experimental and theoretical discoveries. In 1986, then, came the totally unexpected discovery of high temperature superconductivity which started an explosive development. The three areas just mentioned formed the main themes of the Symposium. They do not in any way exhaust the progress in low-dimensional physics. We should mention the recent important development with both two-dimensional and one-dimensional and even zero-dimensional structures (quantum dots). The physics of mesoscopic systems is another important area where the low dimensionality is a key feature. Because of the small format of this Symposium we could unfortunately not cover these areas. A Nobel Symposium provides an excellent opportunity to bring together a group of prominent scientists for a stimulating exchange of new ideas and results. The Nobel Symposia are very small meetings by invitation only and the number of key international participants is typically in the range 25-40. These Symposia are arranged through a special Nobel Symposium Committee after proposal from individuals. This Symposium was sponsored by the Nobel Foundation through its Nobel Symposium Fund with grants from The

  18. Syntheses, structure and intercalation properties of low-dimensional ...

    Indian Academy of Sciences (India)

    Unknown

    Successful intercalation reactions of compounds 1 and 2 with primary n- alkyl amines have ... and hexavalent metal phenylphosphonates12–17 with ..... Similarly potassium. (3) and ..... ponds to loss of one water molecule, whereas the stage at ...

  19. Electronic Structure of Low-Dimensional Carbon Π-Systems

    DEFF Research Database (Denmark)

    García Lastra, Juan Maria; Boukahil, Idris; Qiao, Ruimin

    2016-01-01

    , and the electron hole interaction. For the latter, we develop a simple model that accurately represents a full Delta-self-consistent field (ΔSCF) calculation. The distortion of the LUMO because of its interaction with the C is hole is investigated. These results illustrate the electronic states of prototypical Π...

  20. On the dependence structure of Gaussian queues

    NARCIS (Netherlands)

    Es-Saghouani, A.; Mandjes, M.R.H.

    2009-01-01

    In this article we study Gaussian queues (that is, queues fed by Gaussian processes, such as fractional Brownian motion (fBm) and the integrated Ornstein-Uhlenbeck (iOU) process), with a focus on the dependence structure of the workload process. The main question is to what extent does the workload

  1. Energy–pressure relation for low-dimensional gases

    Directory of Open Access Journals (Sweden)

    Francesco Mancarella

    2014-10-01

    Full Text Available A particularly simple relation of proportionality between internal energy and pressure holds for scale-invariant thermodynamic systems (with Hamiltonians homogeneous functions of the coordinates, including classical and quantum – Bose and Fermi – ideal gases. One can quantify the deviation from such a relation by introducing the internal energy shift as the difference between the internal energy of the system and the corresponding value for scale-invariant (including ideal gases. After discussing some general thermodynamic properties associated with the scale-invariance, we provide criteria for which the internal energy shift density of an imperfect (classical or quantum gas is a bounded function of temperature. We then study the internal energy shift and deviations from the energy–pressure proportionality in low-dimensional models of gases interpolating between the ideal Bose and the ideal Fermi gases, focusing on the Lieb–Liniger model in 1d and on the anyonic gas in 2d. In 1d the internal energy shift is determined from the thermodynamic Bethe ansatz integral equations and an explicit relation for it is given at high temperature. Our results show that the internal energy shift is positive, it vanishes in the two limits of zero and infinite coupling (respectively the ideal Bose and the Tonks–Girardeau gas and it has a maximum at a finite, temperature-depending, value of the coupling. Remarkably, at fixed coupling the energy shift density saturates to a finite value for infinite temperature. In 2d we consider systems of Abelian anyons and non-Abelian Chern–Simons particles: as it can be seen also directly from a study of the virial coefficients, in the usually considered hard-core limit the internal energy shift vanishes and the energy is just proportional to the pressure, with the proportionality constant being simply the area of the system. Soft-core boundary conditions at coincident points for the two-body wavefunction introduce

  2. Energy–pressure relation for low-dimensional gases

    International Nuclear Information System (INIS)

    Mancarella, Francesco; Mussardo, Giuseppe; Trombettoni, Andrea

    2014-01-01

    A particularly simple relation of proportionality between internal energy and pressure holds for scale-invariant thermodynamic systems (with Hamiltonians homogeneous functions of the coordinates), including classical and quantum – Bose and Fermi – ideal gases. One can quantify the deviation from such a relation by introducing the internal energy shift as the difference between the internal energy of the system and the corresponding value for scale-invariant (including ideal) gases. After discussing some general thermodynamic properties associated with the scale-invariance, we provide criteria for which the internal energy shift density of an imperfect (classical or quantum) gas is a bounded function of temperature. We then study the internal energy shift and deviations from the energy–pressure proportionality in low-dimensional models of gases interpolating between the ideal Bose and the ideal Fermi gases, focusing on the Lieb–Liniger model in 1d and on the anyonic gas in 2d. In 1d the internal energy shift is determined from the thermodynamic Bethe ansatz integral equations and an explicit relation for it is given at high temperature. Our results show that the internal energy shift is positive, it vanishes in the two limits of zero and infinite coupling (respectively the ideal Bose and the Tonks–Girardeau gas) and it has a maximum at a finite, temperature-depending, value of the coupling. Remarkably, at fixed coupling the energy shift density saturates to a finite value for infinite temperature. In 2d we consider systems of Abelian anyons and non-Abelian Chern–Simons particles: as it can be seen also directly from a study of the virial coefficients, in the usually considered hard-core limit the internal energy shift vanishes and the energy is just proportional to the pressure, with the proportionality constant being simply the area of the system. Soft-core boundary conditions at coincident points for the two-body wavefunction introduce a length scale

  3. Low-dimensional analysis, using POD, for two mixing layer-wake interactions

    International Nuclear Information System (INIS)

    Braud, Caroline; Heitz, Dominique; Arroyo, Georges; Perret, Laurent; Delville, Joeel; Bonnet, Jean-Paul

    2004-01-01

    The mixing layer-wake interaction is studied experimentally in the framework of two flow configurations. For the first one, the initial conditions of the mixing layer are modified by using a thick trailing edge, a wake effect is therefore superimposed to the mixing layer from its beginning (blunt trailing edge). In the second flow configuration, a canonical mixing layer is perturbed in its asymptotic region by the wake of a cylinder arranged perpendicular to the plane of the mixing layer. These interactions are analyzed mainly by using two-point velocity correlations and the proper orthogonal decomposition (POD). These two flow configurations differ by the degree of complexity they involve: the former is mainly 2D while the latter is highly 3D. The blunt trailing edge configuration is analyzed by using rakes of hot wire probes. This flow configuration is found to be considerably different when compared to a conventional mixing layer. It appears in particular that the scale of the large structures depends only on the trailing edge thickness and does not grow in its downstream evolution. A criterion, based on POD, is proposed in order to separate wake-mixing layer dominant areas of the downstream evolution of the flow. The complex 3D dynamical behaviour resulting from the interaction between the canonical plane mixing layer and the wake of a cylinder is investigated using data arising from particle image velocimetry measurements. An analysis of the velocity correlations shows different length scales in the regions dominated by wake like structures and shear layer type structures. In order to characterize the particular organization in the plane of symmetry, a POD-Galerkin projection of the Navier-Stokes equations is performed in this plane. This leads to a low-dimensional dynamical system that allows the analysis of the relationship between the dominant frequencies to be performed. A reconstruction of the dominant periodic motion suspected from previous studies is

  4. NATO Advanced Research Workshop on Physicochemical Properties of Zeolitic Systems and Their Low Dimensionality

    CERN Document Server

    Derouane, Eric; Hölderich, Wolfgang

    1990-01-01

    Low dimensionality is a multifarious concept which applies to very diversified materials. Thus, examples of low-dimensional systems are structures with one or several layers, single lines or patterns of lines, and small clusters isolated or dispersed in solid systems. Such low­ dimensional features can be produced in a wide variety of materials systems with a broad spectrum of scientific and practical interests. These features, in turn, induce specific properties and, particularly, specific transport properties. In the case of zeolites, low dimensionality appears in the network of small-diameter pores of molecular size, extending in one, two or three di­ mensions, that these solids exhibit as a characteristic feature and which explains the term of "molecular sieves" currently used to name these ma­ terials. Indeed, a large number of industrial processes for separation of gases and liquids, and for catalysis are based upon the use of this low­ dimensional feature in zeolites. For instance, zeolites constit...

  5. Direction dependent structures in general relativity

    International Nuclear Information System (INIS)

    Herberthson, M.

    1993-01-01

    This thesis deals with, within the theory of general relativity, asymptotic properties of certain types of space-times. Using conformal transformations, it is possible to describe asymptotic properties of a physical space-time in terms of the local behaviour of the new, rescaled space-time. One then uses so called direction dependent structures. We present two such structures and applications to them. One structure is used in the study of spacelike (or spatial) infinity. We discuss the asymptotic conditions on the gravitational and the electromagnetic field, especially the conditions put on directions corresponding to future and past null infinity. It is shown that these fields have desired physical properties. The other structure is used in connection with timelike infinity. Using this structure, we suggest a new definition of timelike infinity. This definition differs significantly from earlier definitions, and leads to the concept of asymptotically stationary space-times. We also suggest a definition of asymptotic flatness at future null infinity, and a definition of a black hole which is, in a sense, local. Both of these definitions fit nicely into the structure. (24 refs.)

  6. Are low-dimensional dynamics typical in magnetically confined plasmas?

    International Nuclear Information System (INIS)

    Ball, R.; Dewar, R.L.

    2000-01-01

    Full text: Since 1988 there have been many serious attempts to construct low-dimensional dynamical systems that model L-H transitions and associated oscillatory phenomena in magnetically confined plasmas. Such models usually consist of coupled ordinary differential equations in a few dynamical state variables and several parameters that represent physical properties or external controls. The advantages of a unified, low-dimensional approach to modelling plasma behaviour are multifold. Most importantly, the qualitative analysis of nonlinear ODE and algebraic systems is supported by a substantial body of theory. The toolkits of singularity and stability theory are well-developed and accessible, and contain the right tools for the job of charting the state and parameter space. One of the driving forces behind the development of low-dimensional dynamical models is the predictive potential of a parameter map. For example, a model that talks of the shape and extent of hysteresis in the L-H transition would help engineers who are interested in controlling access to H-mode. We can express this problem another way: given the enormous number of variables and parameters that could be varied around a hysteretic regime, it would be cheaper to know in advance which ones actually do influence the quality and quantity of the hysteresis. The quest for a low-dimensional state space that contains the qualitative dynamics of L-H transitions also introduces other problems. We need to identify the essential (few) dynamical variables and the essential (few) independent parameter groups, clarify the mechanisms for the feedback that is modelled by nonlinear terms, and identify symmetries in the physics. Before jumping the gun on these questions the fundamental issue should be addressed of whether a confined plasma, having many important length and time scales, steep gradients, strong anisotropy, and an uncountable multiplicity of states, can indeed exhibit low-dimensional dynamics. In this

  7. Low-dimensional filiform Lie algebras over finite fields

    OpenAIRE

    Falcón Ganfornina, Óscar Jesús; Núñez Valdés, Juan; Pacheco Martínez, Ana María; Villar Liñán, María Trinidad; Vasek, Vladimir (Coordinador); Shmaliy, Yuriy S. (Coordinador); Trcek, Denis (Coordinador); Kobayashi, Nobuhiko P. (Coordinador); Choras, Ryszard S. (Coordinador); Klos, Zbigniew (Coordinador)

    2011-01-01

    In this paper we use some objects of Graph Theory to classify low-dimensional filiform Lie algebras over finite fields. The idea lies in the representation of each Lie algebra by a certain type of graphs. Then, some properties on Graph Theory make easier to classify the algebras. As results, which can be applied in several branches of Physics or Engineering, for instance, we find out that there exist, up to isomorphism, six 6-dimensional filiform Lie algebras over Z/pZ, for p = 2, 3, 5. Pl...

  8. Magnetometry of low-dimensional electron and hole systems

    Energy Technology Data Exchange (ETDEWEB)

    Usher, A [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom); Elliott, M [School of Physics and Astronomy, Cardiff University, Queens Buildings, Cardiff CF24 3AA (United Kingdom)], E-mail: a.usher@exeter.ac.uk, E-mail: elliottm@cf.ac.uk

    2009-03-11

    The high-magnetic-field, low-temperature magnetic properties of low-dimensional electron and hole systems reveal a wealth of fundamental information. Quantum oscillations of the thermodynamic equilibrium magnetization yield the total density of states, a central quantity in understanding the quantum Hall effect in 2D systems. The magnetization arising from non-equilibrium circulating currents reveals details, not accessible with traditional measurements, of the vanishingly small longitudinal resistance in the quantum Hall regime. We review how the technique of magnetometry has been applied to these systems, the most important discoveries that have been made, and their theoretical significance. (topical review)

  9. Synchrotron Studies of Narrow Band and Low-Dimensional Materials. Final Report for July 1, 1990 --- December 31, 2002

    International Nuclear Information System (INIS)

    Allen, J. W.

    2003-01-01

    This report summarizes a 12-year program of various kinds of synchrotron spectroscopies directed at the electronic structures of narrow band and low-dimensional materials that display correlated electron behaviors such as metal-insulator transitions, mixed valence, superconductivity, Kondo moment quenching, heavy Fermions, and non-Fermi liquid properties

  10. A low dimensional dynamical system for the wall layer

    Science.gov (United States)

    Aubry, N.; Keefe, L. R.

    1987-01-01

    Low dimensional dynamical systems which model a fully developed turbulent wall layer were derived.The model is based on the optimally fast convergent proper orthogonal decomposition, or Karhunen-Loeve expansion. This decomposition provides a set of eigenfunctions which are derived from the autocorrelation tensor at zero time lag. Via Galerkin projection, low dimensional sets of ordinary differential equations in time, for the coefficients of the expansion, were derived from the Navier-Stokes equations. The energy loss to the unresolved modes was modeled by an eddy viscosity representation, analogous to Heisenberg's spectral model. A set of eigenfunctions and eigenvalues were obtained from direct numerical simulation of a plane channel at a Reynolds number of 6600, based on the mean centerline velocity and the channel width flow and compared with previous work done by Herzog. Using the new eigenvalues and eigenfunctions, a new ten dimensional set of ordinary differential equations were derived using five non-zero cross-stream Fourier modes with a periodic length of 377 wall units. The dynamical system was integrated for a range of the eddy viscosity prameter alpha. This work is encouraging.

  11. Low dimensional field theories and condensed matter physics

    International Nuclear Information System (INIS)

    Nagaoka, Yosuke

    1992-01-01

    This issue is devoted to the Proceedings of the Fourth Yukawa International Seminar (YKIS '91) on Low Dimensional Field Theories and Condensed Matter Physics, which was held on July 28 to August 3 in Kyoto. In recent years there have been great experimental discoveries in the field of condensed matter physics: the quantum Hall effect and the high temperature superconductivity. Theoretical effort to clarify mechanisms of these phenomena revealed that they are deeply related to the basic problem of many-body systems with strong correlation. On the other hand, there have been important developments in field theory in low dimensions: the conformal field theory, the Chern-Simons gauge theory, etc. It was found that these theories work as a powerful method of approach to the problems in condensed matter physics. YKIS '91 was devoted to the study of common problems in low dimensional field theories and condensed matter physics. The 17 of the presented papers are collected in this issue. (J.P.N.)

  12. Low dimensional neutron moderators for enhanced source brightness

    DEFF Research Database (Denmark)

    Mezei, Ferenc; Zanini, Luca; Takibayev, Alan

    2014-01-01

    In a recent numerical optimization study we have found that liquid para-hydrogen coupled cold neutron moderators deliver 3–5 times higher cold neutron brightness at a spallation neutron source if they take the form of a flat, quasi 2-dimensional disc, in contrast to the conventional more voluminous...... for cold neutrons. This model leads to the conclusions that the optimal shape for high brightness para-hydrogen neutron moderators is the quasi 1-dimensional tube and these low dimensional moderators can also deliver much enhanced cold neutron brightness in fission reactor neutron sources, compared...... to the much more voluminous liquid D2 or H2 moderators currently used. Neutronic simulation calculations confirm both of these theoretical conclusions....

  13. Low-dimensional geometry from euclidean surfaces to hyperbolic knots

    CERN Document Server

    Bonahon, Francis

    2009-01-01

    The study of 3-dimensional spaces brings together elements from several areas of mathematics. The most notable are topology and geometry, but elements of number theory and analysis also make appearances. In the past 30 years, there have been striking developments in the mathematics of 3-dimensional manifolds. This book aims to introduce undergraduate students to some of these important developments. Low-Dimensional Geometry starts at a relatively elementary level, and its early chapters can be used as a brief introduction to hyperbolic geometry. However, the ultimate goal is to describe the very recently completed geometrization program for 3-dimensional manifolds. The journey to reach this goal emphasizes examples and concrete constructions as an introduction to more general statements. This includes the tessellations associated to the process of gluing together the sides of a polygon. Bending some of these tessellations provides a natural introduction to 3-dimensional hyperbolic geometry and to the theory o...

  14. Low-dimensional carbon and MXene-based electrochemical capacitor electrodes.

    Science.gov (United States)

    Yoon, Yeoheung; Lee, Keunsik; Lee, Hyoyoung

    2016-04-29

    Due to their unique structure and outstanding intrinsic physical properties such as extraordinarily high electrical conductivity, large surface area, and various chemical functionalities, low-dimension-based materials exhibit great potential for application in electrochemical capacitors (ECs). The electrical properties of electrochemical capacitors are determined by the electrode materials. Because energy charge storage is a surface process, the surface properties of the electrode materials greatly influence the electrochemical performance of the cell. Recently, graphene, a single layer of sp(2)-bonded carbon atoms arrayed into two-dimensional carbon nanomaterial, has attracted wide interest as an electrode material for electrochemical capacitor applications due to its unique properties, including a high electrical conductivity and large surface area. Several low-dimensional materials with large surface areas and high conductivity such as onion-like carbons (OLCs), carbide-derived carbons (CDCs), carbon nanotubes (CNTs), graphene, metal hydroxide, transition metal dichalcogenides (TMDs), and most recently MXene, have been developed for electrochemical capacitors. Therefore, it is useful to understand the current issues of low-dimensional materials and their device applications.

  15. Synthesis, Properties, and Applications of Low-Dimensional Carbon-Related Nano materials

    International Nuclear Information System (INIS)

    Mostofizadeh, A.; Li, Y.; Song, B.; Huang, Y.; Mostofizadeh, A.

    2011-01-01

    In recent years, many theoretical and experimental studies have been carried out to develop one of the most interesting aspects of the science and nano technology which is called carbon-related nano materials. The goal of this paper is to provide a review of some of the most exciting and important developments in the synthesis, properties, and applications of low-dimensional carbon nano materials. Carbon nano materials are formed in various structural features using several different processing methods. The synthesis techniques used to produce specific kinds of low-dimensional carbon nano materials such as zero-dimensional carbon nano materials (including fullerene, carbon-encapsulated metal nanoparticles, nano diamond, and onion-like carbons), one-dimensional carbon nano materials (including carbon nano fibers and carbon nano tubes), and two-dimensional carbon nano materials (including graphene and carbon nano walls) are discussed in this paper. Subsequently, the paper deals with an overview of the properties of the mainly important products as well as some important applications and the future outlooks of these advanced nano materials.

  16. Recent Advances on In Situ SEM Mechanical and Electrical Characterization of Low-Dimensional Nanomaterials

    Directory of Open Access Journals (Sweden)

    Chenchen Jiang

    2017-01-01

    Full Text Available In the past decades, in situ scanning electron microscopy (SEM has become a powerful technique for the experimental study of low-dimensional (1D/2D nanomaterials, since it can provide unprecedented details for individual nanostructures upon mechanical and electrical stimulus and thus uncover the fundamental deformation and failure mechanisms for their device applications. In this overview, we summarized recent developments on in situ SEM-based mechanical and electrical characterization techniques including tensile, compression, bending, and electrical property probing on individual nanostructures, as well as the state-of-the-art electromechanical coupling analysis. In addition, the advantages and disadvantages of in situ SEM tests were also discussed with some possible solutions to address the challenges. Furthermore, critical challenges were also discussed for the development and design of robust in situ SEM characterization platform with higher resolution and wider range of samples. These experimental efforts have offered in-depth understanding on the mechanical and electrical properties of low-dimensional nanomaterial components and given guidelines for their further structural and functional applications.

  17. Synthesis, Properties, and Applications of Low-Dimensional Carbon-Related Nanomaterials

    Directory of Open Access Journals (Sweden)

    Ali Mostofizadeh

    2011-01-01

    Full Text Available In recent years, many theoretical and experimental studies have been carried out to develop one of the most interesting aspects of the science and nanotechnology which is called carbon-related nanomaterials. The goal of this paper is to provide a review of some of the most exciting and important developments in the synthesis, properties, and applications of low-dimensional carbon nanomaterials. Carbon nanomaterials are formed in various structural features using several different processing methods. The synthesis techniques used to produce specific kinds of low-dimensional carbon nanomaterials such as zero-dimensional carbon nanomaterials (including fullerene, carbon-encapsulated metal nanoparticles, nanodiamond, and onion-like carbons, one-dimensional carbon nanomaterials (including carbon nanofibers and carbon nanotubes, and two-dimensional carbon nanomaterials (including graphene and carbon nanowalls are discussed in this paper. Subsequently, the paper deals with an overview of the properties of the mainly important products as well as some important applications and the future outlooks of these advanced nanomaterials.

  18. Low-dimensional carbon and MXene-based electrochemical capacitor electrodes

    International Nuclear Information System (INIS)

    Yoon, Yeoheung; Lee, Hyoyoung; Lee, Keunsik

    2016-01-01

    Due to their unique structure and outstanding intrinsic physical properties such as extraordinarily high electrical conductivity, large surface area, and various chemical functionalities, low-dimension-based materials exhibit great potential for application in electrochemical capacitors (ECs). The electrical properties of electrochemical capacitors are determined by the electrode materials. Because energy charge storage is a surface process, the surface properties of the electrode materials greatly influence the electrochemical performance of the cell. Recently, graphene, a single layer of sp 2 -bonded carbon atoms arrayed into two-dimensional carbon nanomaterial, has attracted wide interest as an electrode material for electrochemical capacitor applications due to its unique properties, including a high electrical conductivity and large surface area. Several low-dimensional materials with large surface areas and high conductivity such as onion-like carbons (OLCs), carbide-derived carbons (CDCs), carbon nanotubes (CNTs), graphene, metal hydroxide, transition metal dichalcogenides (TMDs), and most recently MXene, have been developed for electrochemical capacitors. Therefore, it is useful to understand the current issues of low-dimensional materials and their device applications. (topical review)

  19. Recent Advances on In Situ SEM Mechanical and Electrical Characterization of Low-Dimensional Nanomaterials.

    Science.gov (United States)

    Jiang, Chenchen; Lu, Haojian; Zhang, Hongti; Shen, Yajing; Lu, Yang

    2017-01-01

    In the past decades, in situ scanning electron microscopy (SEM) has become a powerful technique for the experimental study of low-dimensional (1D/2D) nanomaterials, since it can provide unprecedented details for individual nanostructures upon mechanical and electrical stimulus and thus uncover the fundamental deformation and failure mechanisms for their device applications. In this overview, we summarized recent developments on in situ SEM-based mechanical and electrical characterization techniques including tensile, compression, bending, and electrical property probing on individual nanostructures, as well as the state-of-the-art electromechanical coupling analysis. In addition, the advantages and disadvantages of in situ SEM tests were also discussed with some possible solutions to address the challenges. Furthermore, critical challenges were also discussed for the development and design of robust in situ SEM characterization platform with higher resolution and wider range of samples. These experimental efforts have offered in-depth understanding on the mechanical and electrical properties of low-dimensional nanomaterial components and given guidelines for their further structural and functional applications.

  20. Low Dimensional Representation of Fisher Vectors for Microscopy Image Classification.

    Science.gov (United States)

    Song, Yang; Li, Qing; Huang, Heng; Feng, Dagan; Chen, Mei; Cai, Weidong

    2017-08-01

    Microscopy image classification is important in various biomedical applications, such as cancer subtype identification, and protein localization for high content screening. To achieve automated and effective microscopy image classification, the representative and discriminative capability of image feature descriptors is essential. To this end, in this paper, we propose a new feature representation algorithm to facilitate automated microscopy image classification. In particular, we incorporate Fisher vector (FV) encoding with multiple types of local features that are handcrafted or learned, and we design a separation-guided dimension reduction method to reduce the descriptor dimension while increasing its discriminative capability. Our method is evaluated on four publicly available microscopy image data sets of different imaging types and applications, including the UCSB breast cancer data set, MICCAI 2015 CBTC challenge data set, and IICBU malignant lymphoma, and RNAi data sets. Our experimental results demonstrate the advantage of the proposed low-dimensional FV representation, showing consistent performance improvement over the existing state of the art and the commonly used dimension reduction techniques.

  1. Low-Dimensional Feature Representation for Instrument Identification

    Science.gov (United States)

    Ihara, Mizuki; Maeda, Shin-Ichi; Ikeda, Kazushi; Ishii, Shin

    For monophonic music instrument identification, various feature extraction and selection methods have been proposed. One of the issues toward instrument identification is that the same spectrum is not always observed even in the same instrument due to the difference of the recording condition. Therefore, it is important to find non-redundant instrument-specific features that maintain information essential for high-quality instrument identification to apply them to various instrumental music analyses. For such a dimensionality reduction method, the authors propose the utilization of linear projection methods: local Fisher discriminant analysis (LFDA) and LFDA combined with principal component analysis (PCA). After experimentally clarifying that raw power spectra are actually good for instrument classification, the authors reduced the feature dimensionality by LFDA or by PCA followed by LFDA (PCA-LFDA). The reduced features achieved reasonably high identification performance that was comparable or higher than those by the power spectra and those achieved by other existing studies. These results demonstrated that our LFDA and PCA-LFDA can successfully extract low-dimensional instrument features that maintain the characteristic information of the instruments.

  2. Unraveling surface enabled magnetic phenomena in low dimensional systems

    Science.gov (United States)

    Baljozovic, Milos; Girovsky, Jan; Nowakowski, Jan; Ali, Md Ehesan; Rossmann, Harald; Nijs, Thomas; Aeby, Elise; Nowakowska, Sylwia; Siewert, Dorota; Srivastava, Gitika; WäCkerlin, Christian; Dreiser, Jan; Decurtins, Silvio; Liu, Shi-Xia; Oppeneer, Peter M.; Jung, Thomas A.; Ballav, Nirmalya

    Molecular spin systems with controllable interactions are of both fundamental and applied importance. These systems help us to better understand the fundamental origins of the interactions involved in low dimensional magnetic systems and to put them in the framework of existing models towards their further development. Following our first observation of exchange induced magnetic ordering in paramagnetic porphyrins adsorbed on ferromagnetic Co surface we showed that magnetic properties of such molecules can be controllably altered upon exposure to chemical and physical stimuli. In our most recent work it was shown that a synthetically programmed co-assembly of Fe and Mn phthalocyanines can also be realized on diamagnetic Au(111) surfaces where it induces long-range 2D ferrimagnetic order, at first glance in conflict with the Mermin-Wagner theory. Here we provide evidence for the first direct observation of such ordering from STM/STS and XMCD data and from DFT +U calculations demonstrating key role of the Au(111) surface states in mediating AFM RKKY coupling of the Kondo underscreened magnetic moments.

  3. Proton tunneling in low dimensional cesium silicate LDS-1

    Science.gov (United States)

    Matsui, Hiroshi; Iwamoto, Kei; Mochizuki, Dai; Osada, Shimon; Asakura, Yusuke; Kuroda, Kazuyuki

    2015-07-01

    In low dimensional cesium silicate LDS-1 (monoclinic phase of CsHSi2O5), anomalous infrared absorption bands observed at 93, 155, 1210, and 1220 cm-1 are assigned to the vibrational mode of protons, which contribute to the strong hydrogen bonding between terminal oxygen atoms of silicate chain (O-O distance = 2.45 Å). The integrated absorbance (oscillator strength) for those modes is drastically enhanced at low temperatures. The analysis of integrated absorbance employing two different anharmonic double-minimum potentials makes clear that proton tunneling through the potential barrier yields an energy splitting of the ground state. The absorption bands at 93 and 155 cm-1, which correspond to the different vibrational modes of protons, are attributed to the optical transition between the splitting levels (excitation from the ground state (n = 0) to the first excited state (n = 1)). Moreover, the absorption bands at 1210 and 1220 cm-1 are identified as the optical transition from the ground state (n = 0) to the third excited state (n = 3). Weak Coulomb interactions in between the adjacent protons generate two types of vibrational modes: symmetric mode (93 and 1210 cm-1) and asymmetric mode (155 and 1220 cm-1). The broad absorption at 100-600 cm-1 reveals an emergence of collective mode due to the vibration of silicate chain coupled not only with the local oscillation of Cs+ but also with the proton oscillation relevant to the second excited state (n = 2).

  4. Development of plenoptic infrared camera using low dimensional material based photodetectors

    Science.gov (United States)

    Chen, Liangliang

    Infrared (IR) sensor has extended imaging from submicron visible spectrum to tens of microns wavelength, which has been widely used for military and civilian application. The conventional bulk semiconductor materials based IR cameras suffer from low frame rate, low resolution, temperature dependent and highly cost, while the unusual Carbon Nanotube (CNT), low dimensional material based nanotechnology has been made much progress in research and industry. The unique properties of CNT lead to investigate CNT based IR photodetectors and imaging system, resolving the sensitivity, speed and cooling difficulties in state of the art IR imagings. The reliability and stability is critical to the transition from nano science to nano engineering especially for infrared sensing. It is not only for the fundamental understanding of CNT photoresponse induced processes, but also for the development of a novel infrared sensitive material with unique optical and electrical features. In the proposed research, the sandwich-structured sensor was fabricated within two polymer layers. The substrate polyimide provided sensor with isolation to background noise, and top parylene packing blocked humid environmental factors. At the same time, the fabrication process was optimized by real time electrical detection dielectrophoresis and multiple annealing to improve fabrication yield and sensor performance. The nanoscale infrared photodetector was characterized by digital microscopy and precise linear stage in order for fully understanding it. Besides, the low noise, high gain readout system was designed together with CNT photodetector to make the nano sensor IR camera available. To explore more of infrared light, we employ compressive sensing algorithm into light field sampling, 3-D camera and compressive video sensing. The redundant of whole light field, including angular images for light field, binocular images for 3-D camera and temporal information of video streams, are extracted and

  5. Nonlinear transport behavior of low dimensional electron systems

    Science.gov (United States)

    Zhang, Jingqiao

    The nonlinear behavior of low-dimensional electron systems attracts a great deal of attention for its fundamental interest as well as for potentially important applications in nanoelectronics. In response to microwave radiation and dc bias, strongly nonlinear electron transport that gives rise to unusual electron states has been reported in two-dimensional systems of electrons in high magnetic fields. There has also been great interest in the nonlinear response of quantum ballistic constrictions, where the effects of quantum interference, spatial dispersion and electron-electron interactions play crucial roles. In this thesis, experimental results of the research of low dimensional electron gas systems are presented. The first nonlinear phenomena were observed in samples of highly mobile two dimensional electrons in GaAs heavily doped quantum wells at different magnitudes of DC and AC (10 KHz to 20 GHz) excitations. We found that in the DC excitation regime the differential resistance oscillates with the DC current and external magnetic field, similar behavior was observed earlier in AlGaAs/GaAs heterostructures [C.L. Yang et al. ]. At external AC excitations the resistance is found to be also oscillating as a function of the magnetic field. However the form of the oscillations is considerably different from the DC case. We show that at frequencies below 100 KHz the difference is a result of a specific average of the DC differential resistance during the period of the external AC excitations. Secondly, in similar samples, strong suppression of the resistance by the electric field is observed in magnetic fields at which the Landau quantization of electron motion occurs. The phenomenon survives at high temperatures at which the Shubnikov de Haas oscillations are absent. The scale of the electric fields essential for the effect, is found to be proportional to temperature in the low temperature limit. We suggest that the strong reduction of the longitudinal resistance

  6. Low-dimensional chiral physics. Gross-Neveu universality and magnetic catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Scherer, Daniel David

    2012-09-27

    In this thesis, we investigate the 3-dimensional, chirally symmetric Gross-Neveu model with functional renormalization group methods. This low-dimensional quantum field theory describes the continuum limit of the low-energy sector in certain lattice systems. The functional renormalization group allows to study in a nonperturbative way the physical properties of many-body systems and quantum field theories. The starting point is a formally exact flow equation with 1-loop structure for the generating functional of 1-particle irreducible vertices. Within a gradient expansion - tailor-made for extracting the infrared asymptotics of the momentum and frequency dependent vertices of the theory - we study the strong-coupling fixed point of the Gross-Neveu model even beyond the formal limit of infinite flavor number. This fixed point controls a 2nd order quantum phase transition from a massless phase to a phase with massive Dirac fermions. After a first analysis of the purely fermionic theory, a Hubbard-Stratonovich transformation is used to partially bosonize the theory. Within this bosonized description, we find universal critical exponents that are in excellent quantitative agreement with available results from 1/N{sub f}-expansions and Monte Carlo simulations and are expected to improve upon earlier results. The renormalization group flow allows us to gain insights into the global and local structure of the critical manifold within given truncations and better understanding of the relevant directions in the space of couplings, which in general do not coincide with the Gaussian classification. Within the framework of the so-called ''asymptotic safety''-scenario relevant for the construction of proper field theories, the fixed-point theory could be determined exactly in the limit of infinite flavor number. Here, the Gross-Neveu model yields a simple and intuitive example for how to define a nonperturbatively renormalizable quantum field theory. Going

  7. Low-dimensional chiral physics. Gross-Neveu universality and magnetic catalysis

    International Nuclear Information System (INIS)

    Scherer, Daniel David

    2012-01-01

    In this thesis, we investigate the 3-dimensional, chirally symmetric Gross-Neveu model with functional renormalization group methods. This low-dimensional quantum field theory describes the continuum limit of the low-energy sector in certain lattice systems. The functional renormalization group allows to study in a nonperturbative way the physical properties of many-body systems and quantum field theories. The starting point is a formally exact flow equation with 1-loop structure for the generating functional of 1-particle irreducible vertices. Within a gradient expansion - tailor-made for extracting the infrared asymptotics of the momentum and frequency dependent vertices of the theory - we study the strong-coupling fixed point of the Gross-Neveu model even beyond the formal limit of infinite flavor number. This fixed point controls a 2nd order quantum phase transition from a massless phase to a phase with massive Dirac fermions. After a first analysis of the purely fermionic theory, a Hubbard-Stratonovich transformation is used to partially bosonize the theory. Within this bosonized description, we find universal critical exponents that are in excellent quantitative agreement with available results from 1/N f -expansions and Monte Carlo simulations and are expected to improve upon earlier results. The renormalization group flow allows us to gain insights into the global and local structure of the critical manifold within given truncations and better understanding of the relevant directions in the space of couplings, which in general do not coincide with the Gaussian classification. Within the framework of the so-called ''asymptotic safety''-scenario relevant for the construction of proper field theories, the fixed-point theory could be determined exactly in the limit of infinite flavor number. Here, the Gross-Neveu model yields a simple and intuitive example for how to define a nonperturbatively renormalizable quantum field theory. Going beyond the determination

  8. NATO Advanced Research Workshop on Optical Switching in Low-Dimensional Systems

    CERN Document Server

    Bányai, L

    1989-01-01

    This book contains all the papers presented at the NATO workshop on "Optical Switching in Low Dimensional Systems" held in Marbella, Spain from October 6th to 8th, 1988. Optical switching is a basic function for optical data processing, which is of technological interest because of its potential parallelism and its potential speed. Semiconductors which exhibit resonance enhanced optical nonlinearities in the frequency range close to the band edge are the most intensively studied materials for optical bistability and fast gate operation. Modern crystal growth techniques, particularly molecular beam epitaxy, allow the manufacture of semiconductor microstructures such as quantum wells, quantum wires and quantum dots in which the electrons are only free to move in two, one or zero dimensions, of the optically excited electron-hole pairs in these low respectively. The spatial confinement dimensional structures gives rise to an enhancement of the excitonic nonlinearities. Furthermore, the variations of the microstr...

  9. Validity and factor structure of the bodybuilding dependence scale

    OpenAIRE

    Smith, D; Hale, B

    2004-01-01

    Objectives: To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders.

  10. Muon studies of low-dimensional solid state systems

    International Nuclear Information System (INIS)

    Jestaedt, T.

    1999-04-01

    This thesis concerns the use of the technique of μSR, an abbreviation which stands for three separate types of experiments: muon spin rotation, muon spin relaxation and muon spin resonance. The experiments presented here were performed on beamlines at the ISIS facility at the Rutherford Appleton Laboratory (UK) and at the Paul Scherrer Institut (Villigen, Switzerland). The systems studied are linked by the common theme of reduced dimensionality. Results of μSR measurements on La 2-x Sr x NiO 4+δ (nickelates) are presented. In these systems the lattice constants are much smaller in two of the dimensions as compared to the third, leading to two dimensional magnetism. Earlier experiments using techniques other than μSR concentrated mainly on materials with x = 0 and δ ≠ 0. The work that I describe on La 2-x Sr x NiO 4+δ shows that, there are interesting magnetic features as a function of strontium doping, and the details of this dependence are examined. In each of the samples oscillations of the muon spin polarization were observed below a sample dependent temperature, showing that low temperature magnetic order occurs. μSR is also used to study Sr 2 LnMn 2 O 7 (the Ruddlesden- Popper phases), where Ln are various ions of the lanthanide series. These manganates have a layered structure, leading to a reduced dimensionality as compared to the related perovskite compounds of the MnO 3 series. Like the doped MnO 3 compounds, some of the Ruddlesden-Popper phases exhibit colossal magnetoresistance (CMR), all effect which initially stirred interest in the MnO 3 systems. In contrast to the MnO 3 systems, the relevant Mn 2 O 7 materials show this CMR effect over an extended temperature range. The μSR work is consistent with the existence of magnetic clusters in some of the Mn 2 O 7 materials and these clusters appear to be associated with the observation of CMR. The compound CaV 4 O 9 is the first known two-dimensional compound to exhibit a spin-gap and the effects

  11. Investigation of advanced materials based on low-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Babenkov, Sergey

    2016-11-15

    .3 eV. More remarkably, the transport gap of ∝0.4 eV persists even at 100 K. Our results show the feasibility of creating new electronic nanostructures with high on-off current ratios using graphene on cubic-SiC. The evolution of the morphology and the electronic structure of the hybrid organic-inorganic systems were studied. Such systems are composed of metal nanoparticles (Al and Au) distributed in an organic semiconductor matrix of copper phthalocyanine (F{sub x}CuPc, x=0,4). The metal atoms deposited onto the F{sub x}CuPc surface diffuse into an organic matrix and self-assemble to nanoparticles in a well-defined manner. The narrow size distribution depends on the amount of deposited metal. We find clear evidence of a charge transfer from Al to CuPc and we have been able to determine the lattice sites where Al ions sit. In case of gold nanoparticles, we were able to observe the atomic planes of single nanoparticle and nanoparticles coalescence processes using high-resolution TEM. Photoelectron spectroscopy did not reveal any detectable chemical reaction between atoms of gold and organic film. However, strong upward band bending induced by gold nanoparticles in the organic film takes place. Finally, at high coverage we observed an formation of the metallic overlayer on the organic film.

  12. Investigation of advanced materials based on low-dimensional systems

    International Nuclear Information System (INIS)

    Babenkov, Sergey

    2016-11-01

    0.4 eV persists even at 100 K. Our results show the feasibility of creating new electronic nanostructures with high on-off current ratios using graphene on cubic-SiC. The evolution of the morphology and the electronic structure of the hybrid organic-inorganic systems were studied. Such systems are composed of metal nanoparticles (Al and Au) distributed in an organic semiconductor matrix of copper phthalocyanine (F_xCuPc, x=0,4). The metal atoms deposited onto the F_xCuPc surface diffuse into an organic matrix and self-assemble to nanoparticles in a well-defined manner. The narrow size distribution depends on the amount of deposited metal. We find clear evidence of a charge transfer from Al to CuPc and we have been able to determine the lattice sites where Al ions sit. In case of gold nanoparticles, we were able to observe the atomic planes of single nanoparticle and nanoparticles coalescence processes using high-resolution TEM. Photoelectron spectroscopy did not reveal any detectable chemical reaction between atoms of gold and organic film. However, strong upward band bending induced by gold nanoparticles in the organic film takes place. Finally, at high coverage we observed an formation of the metallic overlayer on the organic film.

  13. Low-dimensional and Data Fusion Techniques Applied to a Rectangular Supersonic Multi-stream Jet

    Science.gov (United States)

    Berry, Matthew; Stack, Cory; Magstadt, Andrew; Ali, Mohd; Gaitonde, Datta; Glauser, Mark

    2017-11-01

    Low-dimensional models of experimental and simulation data for a complex supersonic jet were fused to reconstruct time-dependent proper orthogonal decomposition (POD) coefficients. The jet consists of a multi-stream rectangular single expansion ramp nozzle, containing a core stream operating at Mj , 1 = 1.6 , and bypass stream at Mj , 3 = 1.0 with an underlying deck. POD was applied to schlieren and PIV data to acquire the spatial basis functions. These eigenfunctions were projected onto their corresponding time-dependent large eddy simulation (LES) fields to reconstruct the temporal POD coefficients. This reconstruction was able to resolve spectral peaks that were previously aliased due to the slower sampling rates of the experiments. Additionally, dynamic mode decomposition (DMD) was applied to the experimental and LES datasets, and the spatio-temporal characteristics were compared to POD. The authors would like to acknowledge AFOSR, program manager Dr. Doug Smith, for funding this research, Grant No. FA9550-15-1-0435.

  14. Experimental investigation of new low-dimensional spin systems in vanadium oxides

    International Nuclear Information System (INIS)

    Kaul, E.E.

    2005-01-01

    In this dissertation we reported our experimental investigation of the magnetic properties of nine low-dimensional vanadium compounds. Two of these materials are completely new (Pb 2 V 5 O 12 and Pb 2 VO(PO 4 ) 2 ) and were found during our search for new low-dimensional vanadium oxides. Among the other seven vanadium compounds studied, three were physically investigated for the first time (Sr 2 VO(PO 4 ) 2 , BaZnVO(PO 4 ) 2 and SrZnVO(PO 4 ) 2 ). Two had hitherto only preliminary, and wrongly interpreted, susceptibility measurements reported in the literature (Sr 2 V 3 O 9 and Ba 2 V 3 O 9 ) while the remaining two (Li 2 VOSiO 4 and Li 2 VOGeO 4 ) were previously investigated in some detail but the interpretation of the data was controversial. We investigated the magnetic properties of these materials by means of magnetic susceptibility and specific heat (C p (T)) measurements (as well as single crystal ESR measurements in the case of Sr 2 V 3 O 9 ). We synthesized the samples necessary for our physical studies. That required a search of the optimal synthesis conditions for obtaining pure, high quality, polycrystalline samples. Single crystals of Sr 2 V 3 O 9 and Pb 2 VO(PO 4 ) 2 were also successfully grown. Pb 2 VO(PO 4 ) 2 , BaZnVO(PO 4 ) 2 , SrZnVO(PO 4 ) 2 , Li 2 VOSiO 4 and Li 2 VOGeO 4 were found to be experimental examples of frustrated square-lattice systems which are described by theJ 1 -J 2 model. We found that Li 2 VOSiO 4 and Li 2 VOGeO 4 posses a weakly frustrated antiferromagnetic square lattice while Pb 2 VO(PO 4 ) 2 , BaZnVO(PO 4 ) 2 and SrZnVO(PO 4 ) 2 form a more strongly frustrated ferromagnetic square lattice. Pb 2 V 5 O 12 is structurally and compositionally related to the two dimensional A 2+ V 4+ n O 2n+1 vanadates. Its structure consists of layers formed by edge- and corner-shared square VO 5 pyramids. The basic structural units are plaquettes consisting of six corner-shared pyramids pointing in the same direction, which form a spin

  15. Significance tests for functional data with complex dependence structure

    KAUST Repository

    Staicu, Ana-Maria; Lahiri, Soumen N.; Carroll, Raymond J.

    2015-01-01

    We propose an L (2)-norm based global testing procedure for the null hypothesis that multiple group mean functions are equal, for functional data with complex dependence structure. Specifically, we consider the setting of functional data with a

  16. Workshop on low-dimensional quantum field theory and its applications

    International Nuclear Information System (INIS)

    Yamamoto, Hisashi

    1990-02-01

    The workshop on 'Low-Dimensional Quantum Field Theory and its Applications' was held at INS on December 18 - 20, 1989 with about seventy participants. Some pedagogical reviews and the latest results were delivered on the recent topics related to both solid-state and particle physics. Among them are quantum Hall effect, high T c superconductivity and related topics in low-dimensional quantum field theory. Many active discussions were made on these issues. (J.P.N.)

  17. Emerging Low-Dimensional Materials for Nonlinear Optics and Ultrafast Photonics.

    Science.gov (United States)

    Liu, Xiaofeng; Guo, Qiangbing; Qiu, Jianrong

    2017-04-01

    Low-dimensional (LD) materials demonstrate intriguing optical properties, which lead to applications in diverse fields, such as photonics, biomedicine and energy. Due to modulation of electronic structure by the reduced structural dimensionality, LD versions of metal, semiconductor and topological insulators (TIs) at the same time bear distinct nonlinear optical (NLO) properties as compared with their bulk counterparts. Their interaction with short pulse laser excitation exhibits a strong nonlinear character manifested by NLO absorption, giving rise to optical limiting or saturated absorption associated with excited state absorption and Pauli blocking in different materials. In particular, the saturable absorption of these emerging LD materials including two-dimensional semiconductors as well as colloidal TI nanoparticles has recently been utilized for Q-switching and mode-locking ultra-short pulse generation across the visible, near infrared and middle infrared wavelength regions. Beside the large operation bandwidth, these ultrafast photonics applications are especially benefit from the high recovery rate as well as the facile processibility of these LD materials. The prominent NLO response of these LD materials have also provided new avenues for the development of novel NLO and photonics devices for all-optical control as well as optical circuits beyond ultrafast lasers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Expressive body movement responses to music are coherent, consistent, and low dimensional.

    Science.gov (United States)

    Amelynck, Denis; Maes, Pieter-Jan; Martens, Jean Pierre; Leman, Marc

    2014-12-01

    Embodied music cognition stresses the role of the human body as mediator for the encoding and decoding of musical expression. In this paper, we set up a low dimensional functional model that accounts for 70% of the variability in the expressive body movement responses to music. With the functional principal component analysis, we modeled individual body movements as a linear combination of a group average and a number of eigenfunctions. The group average and the eigenfunctions are common to all subjects and make up what we call the commonalities. An individual performance is then characterized by a set of scores (the individualities), one score per eigenfunction. The model is based on experimental data which finds high levels of coherence/consistency between participants when grouped according to musical education. This shows an ontogenetic effect. Participants without formal musical education focus on the torso for the expression of basic musical structure (tempo). Musically trained participants decode additional structural elements in the music and focus on body parts having more degrees of freedom (such as the hands). Our results confirm earlier studies that different body parts move differently along with the music.

  19. Modular assembly of low-dimensional coordination architectures on metal surfaces

    International Nuclear Information System (INIS)

    Stepanow, Sebastian; Lin, Nian; Barth, Johannes V

    2008-01-01

    The engineering of highly organized molecular architectures has attracted strong interest because of its potential for novel materials and functional nanoscopic devices. An important factor in the development, integration, and exploitation of such systems is the capability to prepare them on surfaces or in nanostructured environments. Recent advances in supramolecular design on metal substrates provide atomistic insight into the underlying self-assembly processes, mainly by scanning tunneling microscopy observations. This review summarizes progress in noncovalent synthesis strategies under ultra-high vacuum conditions employing metal ions as coordination centers directing the molecular organization. The realized metallosupramolecular compounds and arrays combine the properties of their constituent metal ions and organic ligands, and present several attractive features: their redox, magnetic and spin-state transitions. The presented exemplary molecular level studies elucidate the arrangement of organic adsorbates on metal surfaces, demonstrating the interplay between intermolecular and molecule-substrate interactions that needs to be controlled for the fabrication of low-dimensional structures. The understanding of metallosupramolecular organization and metal-ligand interactions on solid surfaces is important for the control of structure and concomitant function

  20. Selective maintenance of multi-state systems with structural dependence

    International Nuclear Information System (INIS)

    Dao, Cuong D.; Zuo, Ming J.

    2017-01-01

    This paper studies the selective maintenance problem for multi-state systems with structural dependence. Each component can be in one of multiple working levels and several maintenance actions are possible to a component in a maintenance break. The components structurally form multiple hierarchical levels and dependence groups. A directed graph is used to represent the precedence relations of components in the system. A selective maintenance optimization model is developed to maximize the system reliability in the next mission under time and cost constraints. A backward search algorithm is used to determine the assembly sequence for a selective maintenance scenario. The maintenance model helps maintenance managers in determining the best combination of maintenance activities to maximize the probability of successfully completing the next mission. Examples showing the use of the proposed method are presented. - Highlights: • A selective maintenance model for multi-state systems is proposed considering both economic and structural dependence. • Structural dependence is modeled as precedence relationship when disassembling components for maintenance. • Resources for disassembly and maintenance are evaluated using a backward search algorithm. • Maintenance strategies with and without structural dependence are analyzed. • Ignoring structural dependence may lead to over-estimation of system reliability.

  1. Low-Dimensional Materials for Optoelectronic and Bioelectronic Applications

    Science.gov (United States)

    Hong, Tu

    In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

  2. Low Dimensional Carbon Materials for Nanooptics and Nanoplasmonics

    Science.gov (United States)

    2015-12-11

    structure of the 2D glass supported by a graphene window and identified it as a bi-tetrahedral layer of SiO2 only 3 atoms thick. Our atomic resolution...developed can be directly applied to study other 2D materials such as molybdenum disulfide and 2D glasses . Novel properties in these materials open...up new avenues for studying old and new physics including glass phase transition and valley Hall effect. 15. SUBJECT TERMS graphene, bilayer graphene

  3. Photochemical modification of magnetic properties in organic low-dimensional conductors

    International Nuclear Information System (INIS)

    Naito, Toshio; Kakizaki, Akihiro; Wakeshima, Makoto; Hinatsu, Yukio; Inabe, Tamotsu

    2009-01-01

    Magnetic properties of organic charge transfer salts Ag(DX) 2 (DX=2,5-dihalogeno-N,N'-dicyanoquinonediimine; X=Cl, Br, I) were modified by UV irradiation from paramagnetism to diamagnetism in an irreversible way. The temperature dependence of susceptibility revealed that such change in magnetic behavior could be continuously controlled by the duration of irradiation. The observation with scanning electron microprobe revealed that the original appearance of samples, e.g. black well-defined needle-shaped shiny single crystals, remained after irradiation irrespective of the irradiation conditions and the duration. Thermochemical analysis and X-ray diffraction study demonstrated that the change in the physical properties were due to (partial) decomposition of Ag(DX) 2 to AgX, which was incorporated in the original Ag(DX) 2 lattices. Because the physical properties of low-dimensional organic conductors are very sensitive to lattice defects, even a small amount of AgX could effectively modify the electronic properties of Ag(DX) 2 without making the original crystalline appearance collapse. - Graphical abstract: By UV irradiation with appropriate masks, a part of single crystal of organic conductors irreversibly turned diamagnetic retaining their original crystalline shapes.

  4. Microwave dependence of subharmonic gap structure in superconducting junctions

    DEFF Research Database (Denmark)

    Sørensen, O. Hoffman; Kofoed, Bent; Pedersen, Niels Falsig

    1974-01-01

    are integers: m=1,2,3,… and n=0,1,2,…. The power dependence of the satellite structure and the microwave-assisted tunneling structure is consistent for all junctions tested with the expression Jn2(m e Vrf / h ν), where Jn(x) is the ordinary Bessel function of order n, Vrf is the amplitude of the induced...

  5. Temperature dependence of the magnetization of canted spin structures

    DEFF Research Database (Denmark)

    Jacobsen, Henrik; Lefmann, Kim; Brok, Erik

    2012-01-01

    Numerous studies of the low-temperature saturation magnetization of ferrimagnetic nanoparticles and diamagnetically substituted ferrites have shown an anomalous temperature dependence. It has been suggested that this is related to freezing of canted magnetic structures. We present models for the ......Numerous studies of the low-temperature saturation magnetization of ferrimagnetic nanoparticles and diamagnetically substituted ferrites have shown an anomalous temperature dependence. It has been suggested that this is related to freezing of canted magnetic structures. We present models...... for the temperature dependence of the magnetization of a simple canted spin structure in which relaxation can take place at finite temperatures between spin configurations with different canting angles. We show that the saturation magnetization may either decrease or increase with decreasing temperature, depending...

  6. Online prediction of respiratory motion: multidimensional processing with low-dimensional feature learning

    International Nuclear Information System (INIS)

    Ruan, Dan; Keall, Paul

    2010-01-01

    Accurate real-time prediction of respiratory motion is desirable for effective motion management in radiotherapy for lung tumor targets. Recently, nonparametric methods have been developed and their efficacy in predicting one-dimensional respiratory-type motion has been demonstrated. To exploit the correlation among various coordinates of the moving target, it is natural to extend the 1D method to multidimensional processing. However, the amount of learning data required for such extension grows exponentially with the dimensionality of the problem, a phenomenon known as the 'curse of dimensionality'. In this study, we investigate a multidimensional prediction scheme based on kernel density estimation (KDE) in an augmented covariate-response space. To alleviate the 'curse of dimensionality', we explore the intrinsic lower dimensional manifold structure and utilize principal component analysis (PCA) to construct a proper low-dimensional feature space, where kernel density estimation is feasible with the limited training data. Interestingly, the construction of this lower dimensional representation reveals a useful decomposition of the variations in respiratory motion into the contribution from semiperiodic dynamics and that from the random noise, as it is only sensible to perform prediction with respect to the former. The dimension reduction idea proposed in this work is closely related to feature extraction used in machine learning, particularly support vector machines. This work points out a pathway in processing high-dimensional data with limited training instances, and this principle applies well beyond the problem of target-coordinate-based respiratory-based prediction. A natural extension is prediction based on image intensity directly, which we will investigate in the continuation of this work. We used 159 lung target motion traces obtained with a Synchrony respiratory tracking system. Prediction performance of the low-dimensional feature learning

  7. Validity and factor structure of the bodybuilding dependence scale.

    Science.gov (United States)

    Smith, D; Hale, B

    2004-04-01

    To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders. Seventy two male competitive bodybuilders, 63 female competitive bodybuilders, 87 male non-competitive bodybuilders, and 63 non-competitive female bodybuilders completed the bodybuilding dependence scale (BDS), the exercise dependence questionnaire (EDQ), and the muscle dysmorphia inventory (MDI). Confirmatory factor analysis of the BDS supported a three factor model of bodybuilding dependence, consisting of social dependence, training dependence, and mastery dependence (Q = 3.16, CFI = 0.98, SRMR = 0.04). Internal reliability of all three subscales was high (Cronbach's alpha = 0.92, 0.92, and 0.93 respectively). Significant (pbodybuilders scored significantly (pbodybuilders. However, there were no significant sex differences on any of the BDS subscales (p>0.05). The three factor BDS appears to be a reliable and valid measure of bodybuilding dependence. Symptoms of bodybuilding dependence are more prevalent in competitive bodybuilders than non-competitive ones, but there are no significant sex differences in bodybuilding dependence.

  8. Flux-induced Nernst effect in low-dimensional superconductors

    International Nuclear Information System (INIS)

    Berger, Jorge

    2017-01-01

    Highlights: • The Nernst effect tells us that the presence of a magnetic field and a temperature gradient in a conductor yields a transverse voltage. • The Nernst effect in superconductors, especially above their critical temperature, has been a hot topic of research during the last decades. • I predict a new effect in which a transverse voltage arises, not because of the magnetic field, but rather because of the magnetic flux enclosed by a loop with non-uniform temperature. - Abstract: A method is available that enables consistent study of the stochastic behavior of a system that obeys purely diffusive evolution equations. This method has been applied to a superconducting loop with nonuniform temperature, with average temperature close to T_c. It is found that a flux-dependent average potential difference arises along the loop, proportional to the temperature gradient and most pronounced in the direction perpendicular to this gradient. The largest voltages were obtained for fluxes close to 0.3Φ_0, average temperatures slightly below the critical temperature, thermal coherence length of the order of the perimeter of the ring, BCS coherence length that is not negligible in comparison to the thermal coherence length, and short inelastic scattering time. This effect is entirely due to thermal fluctuations. It differs essentially from the usual Nernst effect in bulk superconductors, that is induced by magnetic field rather than by magnetic flux. We also study the effect of confinement in a 2D mesoscopic film.

  9. Evidence of low dimensional chaos in renal blood flow control in genetic and experimental hypertension

    Science.gov (United States)

    Yip, K.-P.; Marsh, D. J.; Holstein-Rathlou, N.-H.

    1995-01-01

    We applied a surrogate data technique to test for nonlinear structure in spontaneous fluctuations of hydrostatic pressure in renal tubules of hypertensive rats. Tubular pressure oscillates at 0.03-0.05 Hz in animals with normal blood pressure, but the fluctuations become irregular with chronic hypertension. Using time series from rats with hypertension we produced surrogate data sets to test whether they represent linearly correlated noise or ‘static’ nonlinear transforms of a linear stochastic process. The correlation dimension and the forecasting error were used as discriminating statistics to compare surrogate with experimental data. The results show that the original experimental time series can be distinguished from both linearly and static nonlinearly correlated noise, indicating that the nonlinear behavior is due to the intrinsic dynamics of the system. Together with other evidence this strongly suggests that a low dimensional chaotic attractor governs renal hemodynamics in hypertension. This appears to be the first demonstration of a transition to chaotic dynamics in an integrated physiological control system occurring in association with a pathological condition.

  10. Low-Dimensional-Networked Metal Halide Perovskites: The Next Big Thing

    KAUST Repository

    Saidaminov, Makhsud I.

    2017-03-03

    Low-dimensional-networked (low-DN) perovskite derivatives are bulk quantum materials in which charge carriers are localized within ordered metal halide sheets, rods, or clusters that are separated by cationic lattices. After two decades of hibernation, this class of semiconductors reemerged in the past two years, largely catalyzed by the interest in alternative, more stable absorbers to CH3NH3PbI3-type perovskites in photovoltaics. Whether low-DN perovskites will surpass other photovoltaic technologies remains to be seen, but their impressively high photo- and electroluminescence yields have already set new benchmarks in light emission applications. Here we offer our perspective on the most exciting advances in materials design of low-DN perovskites for energy- and optoelectronic-related applications. The next few years will usher in an explosive growth in this tribe of quantum materials, as only a few members have been synthesized, while the potential library of compositions and structures is believed to be much larger and is yet to be discovered.

  11. Flux-induced Nernst effect in low-dimensional superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Berger, Jorge, E-mail: jorge.berger@braude.ac.il

    2017-02-15

    Highlights: • The Nernst effect tells us that the presence of a magnetic field and a temperature gradient in a conductor yields a transverse voltage. • The Nernst effect in superconductors, especially above their critical temperature, has been a hot topic of research during the last decades. • I predict a new effect in which a transverse voltage arises, not because of the magnetic field, but rather because of the magnetic flux enclosed by a loop with non-uniform temperature. - Abstract: A method is available that enables consistent study of the stochastic behavior of a system that obeys purely diffusive evolution equations. This method has been applied to a superconducting loop with nonuniform temperature, with average temperature close to T{sub c}. It is found that a flux-dependent average potential difference arises along the loop, proportional to the temperature gradient and most pronounced in the direction perpendicular to this gradient. The largest voltages were obtained for fluxes close to 0.3Φ{sub 0}, average temperatures slightly below the critical temperature, thermal coherence length of the order of the perimeter of the ring, BCS coherence length that is not negligible in comparison to the thermal coherence length, and short inelastic scattering time. This effect is entirely due to thermal fluctuations. It differs essentially from the usual Nernst effect in bulk superconductors, that is induced by magnetic field rather than by magnetic flux. We also study the effect of confinement in a 2D mesoscopic film.

  12. Engineering Low Dimensional Materials with van der Waals Interaction

    Science.gov (United States)

    Jin, Chenhao

    Two-dimensional van der Waals materials grow into a hot and big field in condensed matter physics in the past decade. One particularly intriguing thing is the possibility to stack different layers together as one wish, like playing a Lego game, which can create artificial structures that do not exist in nature. These new structures can enable rich new physics from interlayer interaction: The interaction is strong, because in low-dimension materials electrons are exposed to the interface and are susceptible to other layers; and the screening of interaction is less prominent. The consequence is rich, not only from the extensive list of two-dimensional materials available nowadays, but also from the freedom of interlayer configuration, such as displacement and twist angle, which creates a gigantic parameter space to play with. On the other hand, however, the huge parameter space sometimes can make it challenging to describe consistently with a single picture. For example, the large periodicity or even incommensurability in van der Waals systems creates difficulty in using periodic boundary condition. Worse still, the huge superlattice unit cell and overwhelming computational efforts involved to some extent prevent the establishment of a simple physical picture to understand the evolution of system properties in the parameter space of interlayer configuration. In the first part of the dissertation, I will focus on classification of the huge parameter space into subspaces, and introduce suitable theoretical approaches for each subspace. For each approach, I will discuss its validity, limitation, general solution, as well as a specific example of application demonstrating how one can obtain the most important effects of interlayer interaction with little computation efforts. Combining all the approaches introduced will provide an analytic solution to cover majority of the parameter space, which will be very helpful in understanding the intuitive physical picture behind

  13. Recent Progress in Synthesis and Application of Low-Dimensional Silicon Based Anode Material for Lithium Ion Battery

    Directory of Open Access Journals (Sweden)

    Yuandong Sun

    2017-01-01

    Full Text Available Silicon is regarded as the next generation anode material for LIBs with its ultra-high theoretical capacity and abundance. Nevertheless, the severe capacity degradation resulting from the huge volume change and accumulative solid-electrolyte interphase (SEI formation hinders the silicon based anode material for further practical applications. Hence, a variety of methods have been applied to enhance electrochemical performances in terms of the electrochemical stability and rate performance of the silicon anodes such as designing nanostructured Si, combining with carbonaceous material, exploring multifunctional polymer binders, and developing artificial SEI layers. Silicon anodes with low-dimensional structures (0D, 1D, and 2D, compared with bulky silicon anodes, are strongly believed to have several advanced characteristics including larger surface area, fast electron transfer, and shortened lithium diffusion pathway as well as better accommodation with volume changes, which leads to improved electrochemical behaviors. In this review, recent progress of silicon anode synthesis methodologies generating low-dimensional structures for lithium ion batteries (LIBs applications is listed and discussed.

  14. A Structural Equation Approach to Models with Spatial Dependence

    NARCIS (Netherlands)

    Oud, Johan H. L.; Folmer, Henk

    We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

  15. A structural equation approach to models with spatial dependence

    NARCIS (Netherlands)

    Oud, J.H.L.; Folmer, H.

    2008-01-01

    We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

  16. A Structural Equation Approach to Models with Spatial Dependence

    NARCIS (Netherlands)

    Oud, J.H.L.; Folmer, H.

    2008-01-01

    We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

  17. Non-Stationary Dependence Structures for Spatial Extremes

    KAUST Repository

    Huser, Raphaë l; Genton, Marc G.

    2016-01-01

    been developed, and fitted to various types of data. However, a recurrent problem is the modeling of non-stationarity. In this paper, we develop non-stationary max-stable dependence structures in which covariates can be easily incorporated. Inference

  18. Orientation dependent emission properties of columnar quantum dash laser structures

    NARCIS (Netherlands)

    Hein, S.; Podemski, P.; Sek, G.; Misiewicz, J.; Ridha, P.; Fiore, A.; Patriarche, G.; Höfling, S.; Forchel, A.

    2009-01-01

    InAs columnar quantum dash (CQDash) structures on (100) InP have been realized by gas source molecular beam epitaxy for stacking numbers of up to 24. Laser devices show low threshold current densities between 0.73 and 3.5 kA/ cm2, dependent on the CQDash orientation within the cavity.

  19. Low-dimensional modeling of a driven cavity flow with two free parameters

    DEFF Research Database (Denmark)

    Jørgensen, Bo Hoffmann; Sørensen, Jens Nørkær; Brøns, Morten

    2003-01-01

    . By carrying out such a procedure one obtains a low-dimensional model consisting of a reduced set of Ordinary Differential Equations (ODEs) which models the original equations. A technique called Sequential Proper Orthogonal Decomposition (SPOD) is developed to perform decompositions suitable for low...... parameters to appear in the inhomogeneous boundary conditions without the addition of any constraints. This is necessary because both the driving lid and the rotating rod are controlled simultaneously. Apparently, the results reported for this model are the first to be obtained for a low-dimensional model...

  20. A New Generation of Luminescent Materials Based on Low-Dimensional Perovskites

    KAUST Repository

    Pan, Jun

    2017-06-02

    Low-dimensional perovskites with high luminescence properties are promising materials for optoelectronic applications. In this article, properties of two emerging types of low-dimensional perovskites are discussed, including perovskite quantum dots CsPbX3 (X = Cl, Br or I) and zero-dimensional perovskite Cs4PbBr6. Moreover, their application for light down conversion in LCD backlighting systems and in visible light communication are also presented. With their superior optical properties, we believe that further development of these materials will potentially open more prospective applications, especially for optoelectronics devices.

  1. Low-dimensionality and predictability of solar wind and global magnetosphere during magnetic storms

    OpenAIRE

    Zivkovic, Tatjana; Rypdal, Kristoffer

    2011-01-01

    This article is part of Tatjana Živkovics' doctoral thesis. Available in Munin at http://hdl.handle.net/10037/3231 The storm index SYM-H, the solar wind velocity v, and interplanetary magnetic field Bz show no signatures of low-dimensional dynamics in quiet periods, but tests for determinism in the time series indicate that SYM-H exhibits a significant low-dimensional component during storm time, suggesting that self-organization takes place during magnetic storms. Even though our analysis...

  2. Effective method for construction of low-dimensional models for heat transfer process

    Energy Technology Data Exchange (ETDEWEB)

    Blinov, D.G.; Prokopov, V.G.; Sherenkovskii, Y.V.; Fialko, N.M.; Yurchuk, V.L. [National Academy of Sciences of Ukraine, Kiev (Ukraine). Inst. of Engineering Thermophysics

    2004-12-01

    A low-dimensional model based on the method of proper orthogonal decomposition (POD) and the method of polyargumental systems (MPS) for thermal conductivity problems with strongly localized source of heat has been presented. The key aspect of these methods is that they enable to avoid weak points of other projection methods, which consists in a priori choice of basis functions. It enables us to use the MPS method and the POD method as convenient means to construct low-dimensional models of heat and mass transfer problems. (Author)

  3. Structural study of surfactant-dependent interaction with protein

    Energy Technology Data Exchange (ETDEWEB)

    Mehan, Sumit; Aswal, Vinod K., E-mail: vkaswal@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, Joachim [Laboratory for Neutron Scattering, Paul Scherrer Institut, CH-5232 PSI Villigen (Switzerland)

    2015-06-24

    Small-angle neutron scattering (SANS) has been used to study the complex structure of anionic BSA protein with three different (cationic DTAB, anionic SDS and non-ionic C12E10) surfactants. These systems form very different surfactant-dependent complexes. We show that the structure of protein-surfactant complex is initiated by the site-specific electrostatic interaction between the components, followed by the hydrophobic interaction at high surfactant concentrations. It is also found that hydrophobic interaction is preferred over the electrostatic interaction in deciding the resultant structure of protein-surfactant complexes.

  4. A musculoskeletal model of human locomotion driven by a low dimensional set of impulsive excitation primitives.

    Science.gov (United States)

    Sartori, Massimo; Gizzi, Leonardo; Lloyd, David G; Farina, Dario

    2013-01-01

    Human locomotion has been described as being generated by an impulsive (burst-like) excitation of groups of musculotendon units, with timing dependent on the biomechanical goal of the task. Despite this view being supported by many experimental observations on specific locomotion tasks, it is still unknown if the same impulsive controller (i.e., a low-dimensional set of time-delayed excitastion primitives) can be used as input drive for large musculoskeletal models across different human locomotion tasks. For this purpose, we extracted, with non-negative matrix factorization, five non-negative factors from a large sample of muscle electromyograms in two healthy subjects during four motor tasks. These included walking, running, sidestepping, and crossover cutting maneuvers. The extracted non-negative factors were then averaged and parameterized to obtain task-generic Gaussian-shaped impulsive excitation curves or primitives. These were used to drive a subject-specific musculoskeletal model of the human lower extremity. Results showed that the same set of five impulsive excitation primitives could be used to predict the dynamics of 34 musculotendon units and the resulting hip, knee and ankle joint moments (i.e., NRMSE = 0.18 ± 0.08, and R (2) = 0.73 ± 0.22 across all tasks and subjects) without substantial loss of accuracy with respect to using experimental electromyograms (i.e., NRMSE = 0.16 ± 0.07, and R (2) = 0.78 ± 0.18 across all tasks and subjects). Results support the hypothesis that biomechanically different motor tasks might share similar neuromuscular control strategies. This might have implications in neurorehabilitation technologies such as human-machine interfaces for the torque-driven, proportional control of powered prostheses and orthoses. In this, device control commands (i.e., predicted joint torque) could be derived without direct experimental data but relying on simple parameterized Gaussian-shaped curves, thus decreasing the input drive

  5. Time-dependent reliability analysis and condition assessment of structures

    International Nuclear Information System (INIS)

    Ellingwood, B.R.

    1997-01-01

    Structures generally play a passive role in assurance of safety in nuclear plant operation, but are important if the plant is to withstand the effect of extreme environmental or abnormal events. Relative to mechanical and electrical components, structural systems and components would be difficult and costly to replace. While the performance of steel or reinforced concrete structures in service generally has been very good, their strengths may deteriorate during an extended service life as a result of changes brought on by an aggressive environment, excessive loading, or accidental loading. Quantitative tools for condition assessment of aging structures can be developed using time-dependent structural reliability analysis methods. Such methods provide a framework for addressing the uncertainties attendant to aging in the decision process

  6. Brain structural connectivity and context-dependent extinction memory.

    Science.gov (United States)

    Hermann, Andrea; Stark, Rudolf; Blecker, Carlo R; Milad, Mohammed R; Merz, Christian J

    2017-08-01

    Extinction of conditioned fear represents an important mechanism in the treatment of anxiety disorders. Return of fear after successful extinction or exposure therapy in patients with anxiety disorders might be linked to poor temporal or contextual generalization of extinction due to individual differences in brain structural connectivity. The goal of this magnetic resonance imaging study was therefore to investigate the association of context-dependent extinction recall with brain structural connectivity. Diffusion-tensor imaging was used to determine the fractional anisotropy as a measure of white matter structural integrity of fiber tracts connecting central brain regions of the fear and extinction circuit (uncinate fasciculus, cingulum). Forty-five healthy men participated in a two-day fear conditioning experiment with fear acquisition in context A and extinction learning in context B on the first day. Extinction recall in the extinction context as well as renewal in the acquisition context and a novel context C took place one day later. Renewal of conditioned fear (skin conductance responses) in the acquisition context was associated with higher structural integrity of the hippocampal part of the cingulum. Enhanced structural integrity of the cingulum might be related to stronger hippocampal modulation of the dorsal anterior cingulate cortex, a region important for modulating conditioned fear output by excitatory projections to the amygdala. This finding underpins the crucial role of individual differences in the structural integrity of relevant fiber tracts for context-dependent extinction recall and return of fear after exposure therapy in anxiety disorders. © 2017 Wiley Periodicals, Inc.

  7. Temporal Dependency and the Structure of Early Looking.

    Science.gov (United States)

    Messinger, Daniel S; Mattson, Whitney I; Todd, James Torrence; Gangi, Devon N; Myers, Nicholas D; Bahrick, Lorraine E

    2017-01-01

    Although looking time is used to assess infant perceptual and cognitive processing, little is known about the temporal structure of infant looking. To shed light on this temporal structure, 127 three-month-olds were assessed in an infant-controlled habituation procedure and presented with a pre-recorded display of a woman addressing the infant using infant-directed speech. Previous individual look durations positively predicted subsequent look durations over a six look window, suggesting a temporal dependency between successive infant looks. The previous look duration continued to predict the subsequent look duration after accounting for habituation-linked declines in look duration, and when looks were separated by an inter-trial interval in which no stimulus was displayed. Individual differences in temporal dependency, the strength of associations between consecutive look durations, are distinct from individual differences in mean infant look duration. Nevertheless, infants with stronger temporal dependency had briefer mean look durations, a potential index of stimulus processing. Temporal dependency was evident not only between individual infant looks but between the durations of successive habituation trials (total looking within a trial). Finally, temporal dependency was evident in associations between the last look at the habituation stimulus and the first look at a novel test stimulus. Thus temporal dependency was evident across multiple timescales (individual looks and trials comprised of multiple individual looks) and persisted across conditions including brief periods of no stimulus presentation and changes from a familiar to novel stimulus. Associations between consecutive look durations over multiple timescales and stimuli suggest a temporal structure of infant attention that has been largely ignored in previous work on infant looking.

  8. ICTP Summer Course on Low-Dimensional Quantum Field Theories for Condensed Matter Physicists

    CERN Document Server

    Morandi, G; Lu, Y

    1995-01-01

    This volume contains a set of pedagogical reviews covering the most recent applications of low-dimensional quantum field theory in condensed matter physics, written by experts who have made major contributions to this rapidly developing field of research. The main purpose is to introduce active young researchers to new ideas and new techniques which are not covered by the standard textbooks.

  9. Near-Integrability of Low-Dimensional Periodic Klein-Gordon Lattices

    Directory of Open Access Journals (Sweden)

    Ognyan Christov

    2018-01-01

    Full Text Available The low-dimensional periodic Klein-Gordon lattices are studied for integrability. We prove that the periodic lattice with two particles and certain nonlinear potential is nonintegrable. However, in the cases of up to six particles, we prove that their Birkhoff-Gustavson normal forms are integrable, which allows us to apply KAM theory in most cases.

  10. Ultrafast dynamics of confined and localised excitons and biexcitons in low-dimensional semiconductors

    DEFF Research Database (Denmark)

    Hvam, Jørn Märcher; Langbein, Wolfgang; Borri, Paola

    1999-01-01

    Coherent optical spectroscopy in the form of nonlinear transient four-wave mixing (TFWM) and linear resonant Rayleigh scattering (RRS) has been applied to investigate the exciton dynamics of low-dimensional semiconductor heterostructures. The dephasing times of excitons are determined from...

  11. Statistical mechanics of low-dimensional Ginzburg-Landau fields. Some new results

    International Nuclear Information System (INIS)

    Barsan, V.

    1987-08-01

    The Ginzburg-Landau theory for low-dimensional systems is approached using the transfer matrix method. Analitical formulae for the thermodynamical quantities of interest are obtained in the one-dimensional case. An exact expression for the free energy of of a planar array of linear chains is deduced. A good agrement with numerical and experimental data is found.(authors)

  12. Temperature dependency of silicon structures for magnetic field gradient sensing

    Science.gov (United States)

    Dabsch, Alexander; Rosenberg, Christoph; Stifter, Michael; Keplinger, Franz

    2018-02-01

    This work describes the temperature dependence of two sensors for magnetic field gradient sensors and demonstrates a structure to compensate for the drift of resonance frequency over a wide temperature range. The temperature effect of the sensing element is based on internal stresses induced by the thermal expansion of material, therefore FEM is used to determine the change of the eigenvalues of the sensing structure. The experimental setup utilizes a Helmholtz coil system to generate the magnetic field and to excite the MEMS structure with Lorentz forces. The MEMS structure is placed on a plate heated with resistors and cooled by a Peltier element to control the plate temperature. In the second part, we describe how one can exploit temperature sensitivity for temperature measurements and we show the opportunity to include the temperature effect to increase the sensitivity of single-crystal silicon made flux density gradient sensors.

  13. Temperature-dependent structure evolution in liquid gallium

    International Nuclear Information System (INIS)

    Xiong, L.H.; Wang, X.D.; Yu, Q.; Zhang, H.; Zhang, F.; Sun, Y.; Cao, Q.P.; Xie, H.L.; Xiao, T.Q.; Zhang, D.X.; Wang, C.Z.; Ho, K.M.

    2017-01-01

    Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular dynamics simulation. Both experimental and theoretical results reveal the existence of a liquid structural change around 1000 K in liquid Ga. Below and above this temperature the liquid exhibits differences in activation energy for self-diffusion, temperature-dependent heat capacity, coordination numbers, density, viscosity, electric resistivity and thermoelectric power, which are reflected from structural changes of the bond-orientational order parameter Q_6, fraction of covalent dimers, averaged string length and local atomic packing. This finding will trigger more studies on the liquid-to-liquid crossover in metallic melts. - Graphical abstract: Atomistic structure evolution of liquid gallium has been investigated by using in situ high energy X-ray diffraction and ab initio molecular dynamics simulations, which both demonstrate the existence of a liquid structural change together with reported density, viscosity, electric resistivity and absolute thermoelectric power data.

  14. Measuring spin-dependent structure functions at CEBAF

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, A. [Universitaet Frankfurt (Germany)

    1994-04-01

    The author analyses whether CEBAF with a 10 GeV beam could contribute significantly to the understanding of spin-dependent deep-inelastic scattering as well as semi-inclusive reactions. The main advantage of CEBAF is the much better attainable statistics, its great disadvantage its comparably low energy, which limits the accessible x-range to about 0.15 to 0.7. Within these constraints CEBAF could provide (1) high precision data which would be very valuable to understand the Q{sup 2} dependence of the spin-dependent structure functions g{sub 1}(x) and G{sub 2}(x) and (2) the by far most precise determination of the third moments of g{sub 1}(x) and g{sub 2}(x) the latter of which the author argues to be related to a fundamental property of the nucleon.

  15. Measuring spin-dependent structure functions at CEBAF

    International Nuclear Information System (INIS)

    Schaefer, A.

    1994-01-01

    The author analyses whether CEBAF with a 10 GeV beam could contribute significantly to the understanding of spin-dependent deep-inelastic scattering as well as semi-inclusive reactions. The main advantage of CEBAF is the much better attainable statistics, its great disadvantage its comparably low energy, which limits the accessible x-range to about 0.15 to 0.7. Within these constraints CEBAF could provide (1) high precision data which would be very valuable to understand the Q 2 dependence of the spin-dependent structure functions g 1 (x) and G 2 (x) and (2) the by far most precise determination of the third moments of g 1 (x) and g 2 (x) the latter of which the author argues to be related to a fundamental property of the nucleon

  16. Founder takes all: density-dependent processes structure biodiversity.

    Science.gov (United States)

    Waters, Jonathan M; Fraser, Ceridwen I; Hewitt, Godfrey M

    2013-02-01

    Density-dependent processes play a key role in the spatial structuring of biodiversity. Specifically, interrelated demographic processes, such as gene surfing, high-density blocking, and competitive exclusion, can generate striking geographic contrasts in the distributions of genes and species. Here, we propose that well-studied evolutionary and ecological biogeographic patterns of postglacial recolonization, progressive island colonization, microbial sectoring, and even the 'Out of Africa' pattern of human expansion, are fundamentally similar, underpinned by a 'founder takes all' density-dependent principle. Additionally, we hypothesize that older historic constraints of density-dependent processes are seen today in the dramatic biogeographic shifts that occur in response to human-mediated extinction events, whereby surviving lineages rapidly expand their ranges to replace extinct sister taxa. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. Precision measurement of the neutron spin dependent structure functions

    International Nuclear Information System (INIS)

    Kolomensky, Y.G.

    1997-02-01

    In experiment E154 at the Stanford Linear Accelerator Center the spin dependent structure function g 1 n (x, Q 2 ) of the neutron was measured by scattering longitudinally polarized 48.3 GeV electrons off a longitudinally polarized 3 He target. The high beam energy allowed the author to extend the kinematic coverage compared to the previous SLAC experiments to 0.014 ≤ x ≤ 0.7 with an average Q 2 of 5 GeV 2 . The author reports the integral of the spin dependent structure function in the measured range to be ∫ 0.014 0.7 dx g 1 n (x, 5 GeV 2 ) = -0.036 ± 0.004(stat.) ± 0.005(syst.). The author observes relatively large values of g 1 n at low x that call into question the reliability of data extrapolation to x → 0. Such divergent behavior disagrees with predictions of the conventional Regge theory, but is qualitatively explained by perturbative QCD. The author performs a Next-to-Leading Order perturbative QCD analysis of the world data on the nucleon spin dependent structure functions g 1 p and g 1 n paying careful attention to the experimental and theoretical uncertainties. Using the parameterizations of the helicity-dependent parton distributions obtained in the analysis, the author evolves the data to Q 2 = 5 GeV 2 , determines the first moments of the polarized structure functions of the proton and neutron, and finds agreement with the Bjorken sum rule

  18. Size-dependent structure of silver nanoparticles under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Koski, Kristie Jo [Univ. of California, Berkeley, CA (United States)

    2008-12-31

    Silver noble metal nanoparticles that are<10 nm often possess multiply twinned grains allowing them to adopt shapes and atomic structures not observed in bulk materials. The properties exhibited by particles with multiply twinned polycrystalline structures are often far different from those of single-crystalline particles and from the bulk. I will present experimental evidence that silver nanoparticles<10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. Results for nanoparticles in the intermediate size range of 5 to 10 nm suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. I propose a mechanism for this transitiion that considers the bond-length distribution in idealized multiply twinned icosahedral particles. Results for nanoparticles of 3.9 nm suggest a reversible linear pressure-dependent orthorhombic distortion. This distortion is interpreted in the context of idealized decahedral particles. In addition, given these size-dependent measurements of silver nanoparticle compression with pressure, we have constructed a pressure calibration curve. Encapsulating these silver nanoparticles in hollow metal oxide nanospheres then allows us to measure the pressure inside a nanoshell using x-ray diffraction. We demonstrate the measurement of pressure gradients across nanoshells and show that these nanoshells have maximum resolved shear strengths on the order of 500 MPa to IGPa.

  19. Ligand combination strategy for the preparation of novel low-dimensional and open-framework metal cluster materials

    Science.gov (United States)

    Anokhina, Ekaterina V.

    Low-dimensional and open-framework materials containing transition metals have a wide range of applications in redox catalysis, solid-state batteries, and electronic and magnetic devices. This dissertation reports on research carried out with the goal to develop a strategy for the preparation of low-dimensional and open-framework materials using octahedral metal clusters as building blocks. Our approach takes its roots from crystal engineering principles where the desired framework topologies are achieved through building block design. The key idea of this work is to induce directional bonding preferences in the cluster units using a combination of ligands with a large difference in charge density. This investigation led to the preparation and characterization of a new family of niobium oxychloride cluster compounds with original structure types exhibiting 1ow-dimensional or open-framework character. Most of these materials have framework topologies unprecedented in compounds containing octahedral clusters. Comparative analysis of their structural features indicates that the novel cluster connectivity patterns in these systems are the result of complex interplay between the effects of anisotropic ligand arrangement in the cluster unit and optimization of ligand-counterion electrostatic interactions. The important role played by these factors sets niobium oxychloride systems apart from cluster compounds with one ligand type or statistical ligand distribution where the main structure-determining factor is the total number of ligands. These results provide a blueprint for expanding the ligand combination strategy to other transition metal cluster systems and for the future rational design of cluster-based materials.

  20. Temperature dependent structural and vibrational properties of liquid indium

    Science.gov (United States)

    Patel, A. B.; Bhatt, N. K.

    2018-05-01

    The influence of the temperature effect on both the structure factor and the phonon dispersion relation of liquid indium have been investigated by means of pseudopotential theory. The Percus-Yevick Hard Sphere reference system is applied to describe the structural calculation. The effective electron-ion interaction is explained by using modified empty core potential due to Hasegawa et al. along with a local field correction function due to Ichimaru-Utsumi (IU). The temperature dependence of pair potential needed at higher temperatures was achieved by multiplying the damping factor exp(- π/kBT2k F r ) in the pair potential. Very close agreement of static structure factor, particularly, at elevated temperatures confirms the validity of the local potential. A positive dispersion is found in low-q region and the correct trend of phonon dispersion branches like the experimental; shows all broad features of collective excitations in liquid metals.

  1. Significance tests for functional data with complex dependence structure.

    Science.gov (United States)

    Staicu, Ana-Maria; Lahiri, Soumen N; Carroll, Raymond J

    2015-01-01

    We propose an L 2 -norm based global testing procedure for the null hypothesis that multiple group mean functions are equal, for functional data with complex dependence structure. Specifically, we consider the setting of functional data with a multilevel structure of the form groups-clusters or subjects-units, where the unit-level profiles are spatially correlated within the cluster, and the cluster-level data are independent. Orthogonal series expansions are used to approximate the group mean functions and the test statistic is estimated using the basis coefficients. The asymptotic null distribution of the test statistic is developed, under mild regularity conditions. To our knowledge this is the first work that studies hypothesis testing, when data have such complex multilevel functional and spatial structure. Two small-sample alternatives, including a novel block bootstrap for functional data, are proposed, and their performance is examined in simulation studies. The paper concludes with an illustration of a motivating experiment.

  2. Significance tests for functional data with complex dependence structure

    KAUST Repository

    Staicu, Ana-Maria

    2015-01-01

    We propose an L (2)-norm based global testing procedure for the null hypothesis that multiple group mean functions are equal, for functional data with complex dependence structure. Specifically, we consider the setting of functional data with a multilevel structure of the form groups-clusters or subjects-units, where the unit-level profiles are spatially correlated within the cluster, and the cluster-level data are independent. Orthogonal series expansions are used to approximate the group mean functions and the test statistic is estimated using the basis coefficients. The asymptotic null distribution of the test statistic is developed, under mild regularity conditions. To our knowledge this is the first work that studies hypothesis testing, when data have such complex multilevel functional and spatial structure. Two small-sample alternatives, including a novel block bootstrap for functional data, are proposed, and their performance is examined in simulation studies. The paper concludes with an illustration of a motivating experiment.

  3. Frequency-dependent springs in the seismic analysis of structures

    International Nuclear Information System (INIS)

    Tyapin, A.G.

    2005-01-01

    This paper presents a two-step algorithm for the seismic analysis of structure resting on the rigid embedded basement. Frequency-domain analysis of SSI is carried out on the second step for a platform model with special 'soil spring' which is complex, frequency-dependent, wave-dependent and non-balanced. Theory is presented to obtain the parameters of the soil spring on the first step of the analysis, performed without structure (only geometry of the basement is used) using well-known SASSI code (Lysmer et al, 1981) or in some other ways. On the second step in the SASSI analysis the soil spring is included in the model as a special finite element. Thus, the first step enables to save the computer resources on structure, the second step-to save resources on soil. Soil spring is the most general form for a SSI linear analysis: conventional springs and dashpots can be easily represented in such a format. Thus, the presented approach enables to study the impact of various factors (such as the embedment depth and soil-structure separation, the off-diagonal stiffness, various formulas for stiffness and damping, etc.) on the soil spring parameters. These parameters can be studied separately from the structure itself. As an example, the study of the horizontal soil mesh size is presented. Lumped soil spring may be used on the second step to obtain structural response spectra. To get stresses complex stiffness may be distributed over the basement slab and embedded walls. The proposed approach may be considered to be the alternative to the impedance method (see ASCE4-98). (authors)

  4. Localization and diagonalization. A review of functional integral techniques for low-dimensional gauge theories and topological field theories

    International Nuclear Information System (INIS)

    Blau, M.; Thompson, G.

    1995-01-01

    We review localization techniques for functional integrals which have recently been used to perform calculations in and gain insight into the structure of certain topological field theories and low-dimensional gauge theories. These are the functional integral counterparts of the Mathai-Quillen formalism, the Duistermaat-Heckman theorem, and the Weyl integral formula respectively. In each case, we first introduce the necessary mathematical background (Euler classes of vector bundles, equivariant cohomology, topology of Lie groups), and describe the finite dimensional integration formulae. We then discuss some applications to path integrals and give an overview of the relevant literature. The applications we deal with include supersymmetric quantum mechanics, cohomological field theories, phase space path integrals, and two-dimensional Yang-Mills theory. (author). 83 refs

  5. On-surface construction of low-dimensional nanostructures with terminal alkynes: Linking strategies and controlling methodologies

    Institute of Scientific and Technical Information of China (English)

    Jing Liu; Qi-Wei Chen; Kai Wu

    2017-01-01

    Bottom-up approach to constructing low-dimensional nanostructures on surfaces with terminal alkynes has drawn great interest because of its potential applications in fabricating advanced functional nanomaterials.The diversity of the achieved products manifests rich chemistry of terminal alkynes and hence careful linking strategies and proper controlling methodologies are required for selective preparations of high-quality target nanoarchitectures.This review summarizes various on-surface linking strategies for terminal alkynes,including non-bonding interactions as well as organometallic and covalent bonds,and presents examples to show effective control of surface assemblies and reactions of terminal alkynes by variations of the precursor structures,substrates and activation modes.Systematic studies of the on-surface linkage of terminal alkynes may help efficient and predictable preparations of surface nanomaterials and further understanding of surface chemistry.

  6. Review of time-dependent fatigue behaviour of structural alloys

    International Nuclear Information System (INIS)

    Greenstreet, W.L.

    1978-01-01

    A review and assessment of time-dependent fatigue was needed to provide an understanding of time-dependent fatigue processes, to define the limits of our present knowledge, and to establish bases for the development of verified design methods for structural components and systems for operation at elevated temperatures. This report reviews the present state of understanding of that phenomena, commonly called 'creep fatigue', and separates it into crack-initiation and crack propagation processes. Criteria for describing material behavior for each of these processes are discussed and described within the extent of present knowledge, which is limited largely to experience with one-dimensional loading. Behaviors of types 304 and 316 stainless steel are emphasized. Much of the treatment of time-dependent failure present here is new and of a developing nature; areas of agreement and areas requiring further resolution are enumerated'. These words are from the abstract of the report on a comprehensive study of time-dependent fatigue. This paper briefly reviews some of the contents and discusses important conclusions reached, especially in terms of current status and needs for additional work. (Auth.)

  7. Non-Stationary Dependence Structures for Spatial Extremes

    KAUST Repository

    Huser, Raphaël

    2016-03-03

    Max-stable processes are natural models for spatial extremes because they provide suitable asymptotic approximations to the distribution of maxima of random fields. In the recent past, several parametric families of stationary max-stable models have been developed, and fitted to various types of data. However, a recurrent problem is the modeling of non-stationarity. In this paper, we develop non-stationary max-stable dependence structures in which covariates can be easily incorporated. Inference is performed using pairwise likelihoods, and its performance is assessed by an extensive simulation study based on a non-stationary locally isotropic extremal t model. Evidence that unknown parameters are well estimated is provided, and estimation of spatial return level curves is discussed. The methodology is demonstrated with temperature maxima recorded over a complex topography. Models are shown to satisfactorily capture extremal dependence.

  8. Detecting low-dimensional chaos by the “noise titration” technique: Possible problems and remedies

    International Nuclear Information System (INIS)

    Gao Jianbo; Hu Jing; Mao Xiang; Tung Wenwen

    2012-01-01

    Highlights: ► Distinguishing low-dimensional chaos from noise is an important issue. ► Noise titration technique is one of the main approaches on the issue. ► Problems of noise titration technique are systematically discussed. ► Solutions to the problems of noise titration technique are provided. - Abstract: Distinguishing low-dimensional chaos from noise is an important issue in time series analysis. Among the many methods proposed for this purpose is the noise titration technique, which quantifies the amount of noise that needs to be added to the signal to fully destroy its nonlinearity. Two groups of researchers recently have questioned the validity of the technique. In this paper, we report a broad range of situations where the noise titration technique fails, and offer solutions to fix the problems identified.

  9. Quantum Effects in the Thermoelectric Power Factor of Low-Dimensional Semiconductors.

    Science.gov (United States)

    Hung, Nguyen T; Hasdeo, Eddwi H; Nugraha, Ahmad R T; Dresselhaus, Mildred S; Saito, Riichiro

    2016-07-15

    We theoretically investigate the interplay between the confinement length L and the thermal de Broglie wavelength Λ to optimize the thermoelectric power factor of semiconducting materials. An analytical formula for the power factor is derived based on the one-band model assuming nondegenerate semiconductors to describe quantum effects on the power factor of the low-dimensional semiconductors. The power factor is enhanced for one- and two-dimensional semiconductors when L is smaller than Λ of the semiconductors. In this case, the low-dimensional semiconductors having L smaller than their Λ will give a better thermoelectric performance compared to their bulk counterpart. On the other hand, when L is larger than Λ, bulk semiconductors may give a higher power factor compared to the lower dimensional ones.

  10. Dependent systems reliability estimation by structural reliability approach

    DEFF Research Database (Denmark)

    Kostandyan, Erik; Sørensen, John Dalsgaard

    2014-01-01

    Estimation of system reliability by classical system reliability methods generally assumes that the components are statistically independent, thus limiting its applicability in many practical situations. A method is proposed for estimation of the system reliability with dependent components, where...... the leading failure mechanism(s) is described by physics of failure model(s). The proposed method is based on structural reliability techniques and accounts for both statistical and failure effect correlations. It is assumed that failure of any component is due to increasing damage (fatigue phenomena...... identification. Application of the proposed method can be found in many real world systems....

  11. Nonlinear structure formation with the environmentally dependent dilaton

    International Nuclear Information System (INIS)

    Brax, Philippe; Bruck, Carsten van de; Davis, Anne-Christine; Shaw, Douglas J.; Li, Baojiu

    2011-01-01

    We have studied the nonlinear structure formation of the environmentally dependent dilaton model using N-body simulations. We find that the mechanism of suppressing the scalar fifth force in high-density regions works very well. Within the parameter space allowed by the solar-system tests, the dilaton model predicts small deviations of the matter power spectrum and the mass function from their ΛCDM counterparts. The importance of taking full account of the nonlinearity of the model is also emphasized.

  12. Dielectric spectroscopy studies of low-disorder and low-dimensional materials

    OpenAIRE

    Tripathi, Pragya

    2016-01-01

    In this thesis we employ dielectric spectroscopy (in different implementations) to study the dielectric properties of different materials ranging from completely disordered supercooled liquids to low-disorder solids with only ratcheting reorientational motions, to low-dimensional systems such as thin films or needle-like crystals. The probed material properties include the electrical conductivity, the space-charge processes due to sample heterogeneities, molecular dynamics, hydrogen-bond dyna...

  13. Low-dimensional model of resistive interchange convection in magnetized plasma

    International Nuclear Information System (INIS)

    Bazdenkov, S.; Sato, Tetsuya

    1997-09-01

    Self-organization and generation of large shear flow component in turbulent resistive interchange convection in magnetized plasma is considered. The effect of plasma density-electrostatic potential coupling via the inertialess electron dynamics along the magnetic field is shown to play significant role in the onset of shear component. The results of large-scale numerical simulation and low-dimensional (reduced) model are presented and compared. (author)

  14. Shaping inhibition: activity dependent structural plasticity of GABAergic synapses

    Directory of Open Access Journals (Sweden)

    Carmen E Flores

    2014-10-01

    Full Text Available Inhibitory transmission through the neurotransmitter Ɣ-aminobutyric acid (GABA shapes network activity in the mammalian cerebral cortex by filtering synaptic incoming information and dictating the activity of principal cells. The incredibly diverse population of cortical neurons that use GABA as neurotransmitter shows an equally diverse range of mechanisms that regulate changes in the strength of GABAergic synaptic transmission and allow them to dynamically follow and command the activity of neuronal ensembles. Similarly to glutamatergic synaptic transmission, activity-dependent functional changes in inhibitory neurotransmission are accompanied by alterations in GABAergic synapse structure that range from morphological reorganization of postsynaptic density to de novo formation and elimination of inhibitory contacts. Here we review several aspects of structural plasticity of inhibitory synapses, including its induction by different forms of neuronal activity, behavioral and sensory experience and the molecular mechanisms and signaling pathways involved. We discuss the functional consequences of GABAergic synapse structural plasticity for information processing and memory formation in view of the heterogenous nature of the structural plasticity phenomena affecting inhibitory synapses impinging on somatic and dendritic compartments of cortical and hippocampal neurons.

  15. Layer-dependent anisotropic electronic structure of freestanding quasi-two-dimensional Mo S 2

    KAUST Repository

    Hong, Jinhua; Li, Kun; Jin, Chuanhong; Zhang, Xixiang; Zhang, Ze; Yuan, Jun

    2016-01-01

    The anisotropy of the electronic transition is a well-known characteristic of low-dimensional transition-metal dichalcogenides, but their layer-thickness dependence has not been properly investigated experimentally until now. Yet, it not only determines the optical properties of these low-dimensional materials, but also holds the key in revealing the underlying character of the electronic states involved. Here we used both angle-resolved electron energy-loss spectroscopy and spectral analysis of angle-integrated spectra to study the evolution of the anisotropic electronic transition involving the low-energy valence electrons in the freestanding MoS2 layers with different thicknesses. We are able to demonstrate that the well-known direct gap at 1.8 eV is only excited by the in-plane polarized field while the out-of-plane polarized optical gap is 2.4 ± 0.2 eV in monolayer MoS2. This contrasts with the much smaller anisotropic response found for the indirect gap in the few-layer MoS2 systems. In addition, we determined that the joint density of states associated with the indirect gap transition in the multilayer systems and the corresponding indirect transition in the monolayer case has a characteristic three-dimensional-like character. We attribute this to the soft-edge behavior of the confining potential and it is an important factor when considering the dynamical screening of the electric field at the relevant excitation energies. Our result provides a logical explanation for the large sensitivity of the indirect transition to thickness variation compared with that for the direct transition, in terms of quantum confinement effect.

  16. Layer-dependent anisotropic electronic structure of freestanding quasi-two-dimensional Mo S 2

    KAUST Repository

    Hong, Jinhua

    2016-02-29

    The anisotropy of the electronic transition is a well-known characteristic of low-dimensional transition-metal dichalcogenides, but their layer-thickness dependence has not been properly investigated experimentally until now. Yet, it not only determines the optical properties of these low-dimensional materials, but also holds the key in revealing the underlying character of the electronic states involved. Here we used both angle-resolved electron energy-loss spectroscopy and spectral analysis of angle-integrated spectra to study the evolution of the anisotropic electronic transition involving the low-energy valence electrons in the freestanding MoS2 layers with different thicknesses. We are able to demonstrate that the well-known direct gap at 1.8 eV is only excited by the in-plane polarized field while the out-of-plane polarized optical gap is 2.4 ± 0.2 eV in monolayer MoS2. This contrasts with the much smaller anisotropic response found for the indirect gap in the few-layer MoS2 systems. In addition, we determined that the joint density of states associated with the indirect gap transition in the multilayer systems and the corresponding indirect transition in the monolayer case has a characteristic three-dimensional-like character. We attribute this to the soft-edge behavior of the confining potential and it is an important factor when considering the dynamical screening of the electric field at the relevant excitation energies. Our result provides a logical explanation for the large sensitivity of the indirect transition to thickness variation compared with that for the direct transition, in terms of quantum confinement effect.

  17. Ferromagnetism and temperature-dependent electronic structure in metallic films

    International Nuclear Information System (INIS)

    Herrmann, T.

    1999-01-01

    In this work the influence of the reduced translational symmetry on the magnetic properties of thin itinerant-electron films and surfaces is investigated within the strongly correlated Hubbard model. Firstly, the possibility of spontaneous ferromagnetism in the Hubbard model is discussed for the case of systems with full translational symmetry. Different approximation schemes for the solution of the many-body problem of the Hubbard model are introduced and discussed in detail. It is found that it is vital for a reasonable description of spontaneous ferromagnetism to be consistent with exact results concerning the general shape of the single-electron spectral density in the limit of strong Coulomb interaction between the electrons. The temperature dependence of the ferromagnetic solutions is discussed in detail by use of the magnetization curves as well as the spin-dependent quasi particle spectrum. For the investigation of thin films and surfaces the approximation schemes for the bulk system have to be generalized to deal with the reduced translational symmetry. The magnetic behavior of thin Hubbard films is investigated by use of the layer dependent magnetization as a function of temperature as well as the thickness of the film. The Curie-temperature is calculated as a function of the film thickness. Further, the magnetic stability at the surface is discussed in detail. Here it is found that for strong Coulomb interaction the magnetic stability at finite temperatures is reduced at the surface compared to the inner layers. This observation clearly contradicts the well-known Stoner picture of band magnetism and can be explained in terms of general arguments which are based on exact results in the limit of strong Coulomb interaction. The magnetic behavior of the Hubbard films can be analyzed in detail by inspecting the local quasi particle density of states as well as the wave vector dependent spectral density. The electronic structure is found to be strongly spin

  18. Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ(2)N,N')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ(2)N,N')iron(II) bis(tricyanomethanide) sesquihydrate.

    Science.gov (United States)

    Potočňák, Ivan; Váhovská, Lucia; Herich, Peter

    2014-05-01

    Two new diamagnetic coordination compounds, [Fe(phen)3][C(CN)3]2, (I), and [Fe(bpy)3][C(CN)3]2·1.5H2O, (II), have been synthesized and characterized by single-crystal X-ray diffraction analysis, and IR and UV-Vis spectroscopy (phen is 1,10-phenanthroline, C12H8N2, and bpy is 2,2'-bipyridine, C10H8N2). Both compounds are ionic with distorted octahedral [Fe(phen)3](2+) or [Fe(bpy)3](2+) complex cations, with average Fe-N distances of 1.977 (2) and 1.971 (3) Å, respectively, and two uncoordinated planar tricyanomethanide, or [C(CN)3](-), counter-anions balancing the positive charges of the cations. Solvent water molecules and tcm anions in (II) are linked via O-H...N hydrogen bonds into negatively charged layers and the interlayer space is filled by [Fe(bpy)3](2+) cations. The structures of (I) and (II) are stabilized by π-π interactions between the stacked aromatic rings of the phen ligands of two adjacent cations and by O-H...N hydrogen bonds, respectively, and also by π-π stacking interactions between phen and tcm units in (I).

  19. The energetics and structure of nickel clusters: Size dependence

    International Nuclear Information System (INIS)

    Cleveland, C.L.; Landman, U.

    1991-01-01

    The energetics of nickel clusters over a broad size range are explored within the context of the many-body potentials obtained via the embedded atom method. Unconstrained local minimum energy configurations are found for single crystal clusters consisting of various truncations of the cube or octahedron, with and without (110) faces, as well as some monotwinnings of these. We also examine multitwinned structures such as icosahedra and various truncations of the decahedron, such as those of Ino and Marks. These clusters range in size from 142 to over 5000 atoms. As in most such previous studies, such as those on Lennard-Jones systems, we find that icosahedral clusters are favored for the smallest cluster sizes and that Marks' decahedra are favored for intermediate sizes (all our atomic systems larger than about 2300 atoms). Of course very large clusters will be single crystal face-centered-cubic (fcc) polyhedra: the onset of optimally stable single-crystal nickel clusters is estimated to occur at 17 000 atoms. We find, via comparisons to results obtained via atomistic calculations, that simple macroscopic expressions using accurate surface, strain, and twinning energies can usefully predict energy differences between different structures even for clusters of much smaller size than expected. These expressions can be used to assess the relative energetic merits of various structural motifs and their dependence on cluster size

  20. Strain-Dependent Edge Structures in MoS2 Layers.

    Science.gov (United States)

    Tinoco, Miguel; Maduro, Luigi; Masaki, Mukai; Okunishi, Eiji; Conesa-Boj, Sonia

    2017-11-08

    Edge structures are low-dimensional defects unavoidable in layered materials of the transition metal dichalcogenides (TMD) family. Among the various types of such structures, the armchair (AC) and zigzag (ZZ) edge types are the most common. It has been predicted that the presence of intrinsic strain localized along these edges structures can have direct implications for the customization of their electronic properties. However, pinning down the relation between local structure and electronic properties at these edges is challenging. Here, we quantify the local strain field that arises at the edges of MoS 2 flakes by combining aberration-corrected transmission electron microscopy (TEM) with the geometrical-phase analysis (GPA) method. We also provide further insight on the possible effects of such edge strain on the resulting electronic behavior by means of electron energy loss spectroscopy (EELS) measurements. Our results reveal that the two-dominant edge structures, ZZ and AC, induce the formation of different amounts of localized strain fields. We also show that by varying the free edge curvature from concave to convex, compressive strain turns into tensile strain. These results pave the way toward the customization of edge structures in MoS 2 , which can be used to engineer the properties of layered materials and thus contribute to the optimization of the next generation of atomic-scale electronic devices built upon them.

  1. Possible indicators for low dimensional superconductivity in the quasi-1D carbide Sc{sub 3}CoC{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Scheidt, E-W; Hauf, C; Reiner, F; Eickerling, G; Scherer, W, E-mail: Ernst-Wilhelm.Scheidt@physik.uni-augsburg.de [CPM, Institut fuer Physik, Universitaet Augsburg, 86159 Augsburg (Germany)

    2011-01-01

    The transition metal carbide Sc{sub 3}CoC{sub 4} consists of a quasi-one-dimensional (1D) structure with [CoC{sub 4}]{sub {infinity}} polyanionic chains embedded in a scandium matrix. At ambient temperatures Sc{sub 3}CoC{sub 4} displays metallic behavior. At lower temperatures, however, charge density wave formation has been observed around 143 K which is followed by a structural phase transition at 72 K. Below T{sub c}{sup onset} = 4.5 K the polycrystalline sample becomes superconductive. From H{sub c1}(0) and H{sub c2}(0) values we could estimate the London penetration depth ({lambda}{sub L} {approx_equal} 9750 A) and the Ginsburg-Landau (GL) coherence length ({xi}{sub GL} {approx_equal} 187 A). The resulting GL-parameter ({kappa} {approx_equal} 52) classifies Sc{sub 3}CoC{sub 4} as a type II superconductor. Here we compare the puzzling superconducting features of Sc{sub 3}CoC{sub 4}, such as the unusual temperature dependence i) of the specific heat anomaly and ii) of the upper critical field H{sub c2}(T) at T{sub c}, and iii) the magnetic hysteresis curve, with various related low dimensional superconductors: e.g., the quasi-1D superconductor (SN){sub x} or the 2D transition-metal dichalcogenides. Our results identify Sc{sub 3}CoC{sub 4} as a new candidate for a quasi-1D superconductor.

  2. Model for thickness dependence of radiation charging in MOS structures

    Science.gov (United States)

    Viswanathan, C. R.; Maserjian, J.

    1976-01-01

    The model considers charge buildup in MOS structures due to hole trapping in the oxide and the creation of sheet charge at the silicon interface. The contribution of hole trapping causes the flatband voltage to increase with thickness in a manner in which square and cube dependences are limiting cases. Experimental measurements on samples covering a 200 - 1000 A range of oxide thickness are consistent with the model, using independently obtained values of hole-trapping parameters. An important finding of our experimental results is that a negative interface charge contribution due to surface states created during irradiation compensates most of the positive charge in the oxide at flatband. The tendency of the surface states to 'track' the positive charge buildup in the oxide, for all thicknesses, applies both in creation during irradiation and in annihilation during annealing. An explanation is proposed based on the common defect origin of hole traps and potential surface states.

  3. Cardiac structure and function and dependency in the oldest old.

    Science.gov (United States)

    Leibowitz, David; Jacobs, Jeremy M; Stessman-Lande, Irit; Cohen, Aharon; Gilon, Dan; Ein-Mor, Eliana; Stessman, Jochanan

    2011-08-01

    To examine the association between cardiac function and activities of daily living (ADLs) in an age-homogenous, community-dwelling population born in 1920 and 1921. Cross-sectional analysis of a prospective cohort study. Community-dwelling elderly population. Participants were recruited from the Jerusalem Longitudinal Cohort Study, which has followed an age-homogenous cohort of Jerusalem residents born in 1920 and 1921. Four hundred eighty-nine of the participants (228 male, 261 female) from the most recent set of data collection in 2005 and 2006 underwent echocardiography at their place of residence in addition to structured interviews and physical examination. A home-based comprehensive assessment was performed to assess health and functional status, including performance of ADLs. Dependence was defined as needing assistance with one or more basic ADLs. Standard echocardiographic assessment of cardiac structure and function, including ejection fraction (EF) and diastolic function as assessed using early diastolic mitral annular tissue velocity measurements obtained using tissue Doppler, was performed. Of the participants with limitation in at least one ADL, significantly more had low EF (dependence in ADL had higher left ventricular mass index (LVMI) (129.3 vs 119.7 g/m²) and left atrial volume index (LAVI) (41.3 vs 36.7 mL/m²). There were no differences between the groups in percentage of participants with impaired diastolic function or average ratio of early diastolic transmitral flow velocity to early diastolic mitral annular tissue velocity (11.5 vs 11.8; P=.64). In this age-homogenous cohort of the oldest old, high LVMI and LAVI and indices of systolic but not diastolic function as assessed according to Doppler were associated with limitations in ADLs. © 2011, Copyright the Authors. Journal compilation © 2011, The American Geriatrics Society.

  4. Structured outpatient treatment of alcohol vs. drug dependencies.

    Science.gov (United States)

    Washton, A M

    1990-01-01

    This chapter describes the rationale, indications, design, and use of a structured outpatient treatment approach as an effective alternative to residential treatment for alcohol and drug dependencies. An increasing demand for outpatient treatment services is being created by a combination of clinical and economic factors, including the influx of employed drug abusers who do not need or desire residential care and mounting financial pressures to contain health care costs. To be effective as a primary treatment modality, outpatient programs must be highly structured and intensive and able to deal with the full spectrum of alcohol and drug addictions. Perpetuating the historical separation between alcoholism and drug abuse treatment programs is unnecessary and counterproductive, although certain modifications in treatment approaches are needed to accommodate the distinctive characteristics of particular classes of drugs and the people who use them. The "outpatient rehab," a treatment model that approximates the intensity of inpatient treatment on an outpatient basis, may help to maximize the clinical efficacy and cost-effectiveness of outpatient treatment as a viable alternative to residential care. Initial treatment results with this model are encouraging.

  5. Activation of zero-error classical capacity in low-dimensional quantum systems

    Science.gov (United States)

    Park, Jeonghoon; Heo, Jun

    2018-06-01

    Channel capacities of quantum channels can be nonadditive even if one of two quantum channels has no channel capacity. We call this phenomenon activation of the channel capacity. In this paper, we show that when we use a quantum channel on a qubit system, only a noiseless qubit channel can generate the activation of the zero-error classical capacity. In particular, we show that the zero-error classical capacity of two quantum channels on qubit systems cannot be activated. Furthermore, we present a class of examples showing the activation of the zero-error classical capacity in low-dimensional systems.

  6. Time Series Analysis of the Bacillus subtilis Sporulation Network Reveals Low Dimensional Chaotic Dynamics.

    Science.gov (United States)

    Lecca, Paola; Mura, Ivan; Re, Angela; Barker, Gary C; Ihekwaba, Adaoha E C

    2016-01-01

    Chaotic behavior refers to a behavior which, albeit irregular, is generated by an underlying deterministic process. Therefore, a chaotic behavior is potentially controllable. This possibility becomes practically amenable especially when chaos is shown to be low-dimensional, i.e., to be attributable to a small fraction of the total systems components. In this case, indeed, including the major drivers of chaos in a system into the modeling approach allows us to improve predictability of the systems dynamics. Here, we analyzed the numerical simulations of an accurate ordinary differential equation model of the gene network regulating sporulation initiation in Bacillus subtilis to explore whether the non-linearity underlying time series data is due to low-dimensional chaos. Low-dimensional chaos is expectedly common in systems with few degrees of freedom, but rare in systems with many degrees of freedom such as the B. subtilis sporulation network. The estimation of a number of indices, which reflect the chaotic nature of a system, indicates that the dynamics of this network is affected by deterministic chaos. The neat separation between the indices obtained from the time series simulated from the model and those obtained from time series generated by Gaussian white and colored noise confirmed that the B. subtilis sporulation network dynamics is affected by low dimensional chaos rather than by noise. Furthermore, our analysis identifies the principal driver of the networks chaotic dynamics to be sporulation initiation phosphotransferase B (Spo0B). We then analyzed the parameters and the phase space of the system to characterize the instability points of the network dynamics, and, in turn, to identify the ranges of values of Spo0B and of the other drivers of the chaotic dynamics, for which the whole system is highly sensitive to minimal perturbation. In summary, we described an unappreciated source of complexity in the B. subtilis sporulation network by gathering

  7. Heat transport in low-dimensional materials: A review and perspective

    Directory of Open Access Journals (Sweden)

    Zhiping Xu

    2016-05-01

    Full Text Available Heat transport is a key energetic process in materials and devices. The reduced sample size, low dimension of the problem and the rich spectrum of material imperfections introduce fruitful phenomena at nanoscale. In this review, we summarize recent progresses in the understanding of heat transport process in low-dimensional materials, with focus on the roles of defects, disorder, interfaces, and the quantum-mechanical effect. New physics uncovered from computational simulations, experimental studies, and predictable models will be reviewed, followed by a perspective on open challenges.

  8. Spectroscopy of collective excitations in interacting low-dimensional many-body systems using quench dynamics.

    Science.gov (United States)

    Gritsev, Vladimir; Demler, Eugene; Lukin, Mikhail; Polkovnikov, Anatoli

    2007-11-16

    We study the problem of rapid change of the interaction parameter (quench) in a many-body low-dimensional system. It is shown that, measuring the correlation functions after the quench, the information about a spectrum of collective excitations in a system can be obtained. This observation is supported by analysis of several integrable models and we argue that it is valid for nonintegrable models as well. Our conclusions are supplemented by performing exact numerical simulations on finite systems. We propose that measuring the power spectrum in a dynamically split 1D Bose-Einsten condensate into two coupled condensates can be used as an experimental test of our predictions.

  9. Low-Dimensional Nanomaterials as Active Layer Components in Thin-Film Photovoltaics

    Science.gov (United States)

    Shastry, Tejas Attreya

    Thin-film photovoltaics offer the promise of cost-effective and scalable solar energy conversion, particularly for applications of semi-transparent solar cells where the poor absorption of commercially-available silicon is inadequate. Applications ranging from roof coatings that capture solar energy to semi-transparent windows that harvest the immense amount of incident sunlight on buildings could be realized with efficient and stable thin-film solar cells. However, the lifetime and efficiency of thin-film solar cells continue to trail their inorganic silicon counterparts. Low-dimensional nanomaterials, such as carbon nanotubes and two-dimensional metal dichalcogenides, have recently been explored as materials in thin-film solar cells due to their exceptional optoelectronic properties, solution-processability, and chemical inertness. Thus far, issues with the processing of these materials has held back their implementation in efficient photovoltaics. This dissertation reports processing advances that enable demonstrations of low-dimensional nanomaterials in thin-film solar cells. These low-dimensional photovoltaics show enhanced photovoltaic efficiency and environmental stability in comparison to previous devices, with a focus on semiconducting single-walled carbon nanotubes as an active layer component. The introduction summarizes recent advances in the processing of carbon nanotubes and their implementation through the thin-film photovoltaic architecture, as well as the use of two-dimensional metal dichalcogenides in photovoltaic applications and potential future directions for all-nanomaterial solar cells. The following chapter reports a study of the interaction between carbon nanotubes and surfactants that enables them to be sorted by electronic type via density gradient ultracentrifugation. These insights are utilized to construct of a broad distribution of carbon nanotubes that absorb throughout the solar spectrum. This polychiral distribution is then shown

  10. Structure and dynamics in low-dimensional guest-host systems

    Energy Technology Data Exchange (ETDEWEB)

    John E. Fischer

    2000-05-01

    This is the final report of the fourth of four three year grants of the same title. The program evolved from an earlier DOE grant on graphite intercalation compounds. Since its inception eight years ago, the focus evolved continuously from conjugated polymers to fullerenes, disordered carbons for Li-ion battery applications, and most recently carbon nanotubes, with side excursion back to GIC's to exploit a recent advance in synthesis of a potentially exciting new phase. The unifying themes are the versatility of carbon in forming novel solids, and the flexibility of intercalation chemistry to provide new materials with potentially useful properties.

  11. Electronic transport and dielectric properties of low-dimensional structures of layered transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashok, E-mail: ashok.1777@yahoo.com; Ahluwalia, P.K., E-mail: pk_ahluwalia7@yahoo.com

    2014-02-25

    Graphical abstract: We present electronic transport and dielectric response of layered transition metal dichalcogenides nanowires and nanoribbons. Illustration 1: Conductance (G) and corresponding local density of states(LDOS) for LTMDs wires at applied bias. I–V characterstics are shown in lowermost panels. Highlights: • The studied configurations show metallic/semiconducting nature. • States around the Fermi energy are mainly contributed by the d orbitals of metal atoms. • The studied configurations show non-linear current–voltage (I–V) characteristics. • Additional plasmonic features at low energy have been observed for both wires and ribbons. • Dielectric functions for both wires and ribbons are anisotropic (isotropic) at low (high) energy range. -- Abstract: We present first principle study of the electronic transport and dielectric properties of nanowires and nanoribbons of layered transition metal dichalcogenides (LTMDs), MX{sub 2} (M = Mo, W; X = S, Se, Te). The studied configuration shows metallic/semiconducting nature and the states around the Fermi energy are mainly contributed by the d orbitals of metal atoms. Zero-bias transmission show 1G{sub 0} conductance for the ribbons of MoS{sub 2} and WS{sub 2}; 2G{sub 0} conductance for MoS{sub 2}, WS{sub 2}, WSe{sub 2} wires, and ribbons of MoTe{sub 2} and WTe{sub 2}; and 3G{sub 0} conductance for WSe{sub 2} ribbon. The studied configurations show non-linear current–voltage (I–V) characteristics. Negative differential conductance (NDC) has also been observed for the nanoribbons of the selenides and tellurides of both Mo and W. Furthermore, additional plasmonic features below 5 eV energy have been observed for both wires and ribbons as compared to the corresponding monolayers, which is found to be red-shifted on going from nanowires to nanoribbons.

  12. Optical/Far-Infrared Control of Low-Dimensional Semiconductor Structures

    National Research Council Canada - National Science Library

    Citrin, David

    2003-01-01

    .... The manipulation of the carrier and optical dynamics will be achieved by the use of specially tailored ultrafast optical pulses, multicolor laser fields, millimeter or submillimeter electromagnetic...

  13. Temperature dependence of the electronic structure of semiconductors and insulators

    Energy Technology Data Exchange (ETDEWEB)

    Poncé, S., E-mail: samuel.pon@gmail.com; Gillet, Y.; Laflamme Janssen, J.; Gonze, X. [European Theoretical Spectroscopy Facility and Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des étoiles 8, bte L07.03.01, B-1348 Louvain-la-neuve (Belgium); Marini, A. [Consiglio Nazionale delle Ricerche (CNR), Via Salaria Km 29.3, CP 10, 00016 Monterotondo Stazione (Italy); Verstraete, M. [European Theoretical Spectroscopy Facility and Physique des matériaux et nanostructures, Université de Liège, Allée du 6 Août 17, B-4000 Liège (Belgium)

    2015-09-14

    The renormalization of electronic eigenenergies due to electron-phonon coupling (temperature dependence and zero-point motion effect) is sizable in many materials with light atoms. This effect, often neglected in ab initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the recent progresses in this field and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a slowly converging q-point integration. For non-zero Born effective charges, we show that a divergence appears in the electron-phonon matrix elements at q → Γ, leading to a divergence of the adiabatic renormalization at band extrema. This problem is exacerbated by the slow convergence of Born effective charges with electronic wavevector sampling, which leaves residual Born effective charges in ab initio calculations on materials that are physically devoid of such charges. Here, we propose a solution that improves this convergence. However, for materials where Born effective charges are physically non-zero, the divergence of the renormalization indicates a breakdown of the adiabatic harmonic approximation, which we assess here by switching to the non-adiabatic harmonic approximation. Also, we study the convergence behavior of the renormalization and develop reliable extrapolation schemes to obtain the converged results. Finally, the adiabatic and non-adiabatic theories, with corrections for the slow Born effective charge convergence problem (and the associated divergence) are applied to the study of five semiconductors and insulators: α-AlN, β-AlN, BN, diamond, and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening, and the renormalized electronic band structure.

  14. Charge carrier dynamics of methylammonium lead iodide: from PbI₂-rich to low-dimensional broadly emitting perovskites.

    Science.gov (United States)

    Klein, Johannes R; Flender, Oliver; Scholz, Mirko; Oum, Kawon; Lenzer, Thomas

    2016-04-28

    We provide an investigation of the charge carrier dynamics of the (MAI)(x)(PbI2)(1-x) system in the range x = 0.32-0.90 following the recently published "pseudobinary phase-composition processing diagram" of Song et al. (Chem. Mater., 2015, 27, 4612). The dynamics were studied using ultrafast pump-supercontinuum probe spectroscopy over the pump fluence range 2-50 μJ cm(-2), allowing for a wide variation of the initial carrier density. At high MAI excess (x = 0.90), low-dimensional perovskites (LDPs) are formed, and their luminescence spectra are significantly blue-shifted by ca. 50 nm and broadened compared to the 3D perovskite. The shift is due to quantum confinement effects, and the inhomogeneous broadening arises from different low-dimensional structures (predominantly 2D, but presumably also 1D and 0D). Accurate transient carrier temperatures are extracted from the transient absorption spectra. The regimes of carrier-carrier, carrier-optical phonon and acoustic phonon scattering are clearly distinguished. Perovskites with mole fractions x ≤ 0.71 exhibit extremely fast carrier cooling (ca. 300 fs) at low fluence of 2 μJ cm(-2), however cooling slows down significantly at high fluence of 50 μJ cm(-2) due to the "hot phonon effect" (ca. 2.8 ps). A kinetic analysis of the electron-hole recombination dynamics provides second-order recombination rate constants k2 which decrease from 5.3 to 1.5 × 10(-9) cm(3) s(-1) in the range x = 0.32-0.71. In contrast, recombination in the LDPs (x = 0.90) is more than one order of magnitude faster, 6.4 × 10(-8) cm(3) s(-1), which is related to the confined perovskite structure. Recombination in these LDPs should be however still slow enough for their potential application as efficient broadband emitters or solar light-harvesting materials.

  15. Universal Curve of Optimum Thermoelectric Figures of Merit for Bulk and Low-Dimensional Semiconductors

    Science.gov (United States)

    Hung, Nguyen T.; Nugraha, Ahmad R. T.; Saito, Riichiro

    2018-02-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. Analytical formulas for thermoelectric figures of merit and power factors are derived based on the one-band model. We find that there is a direct relationship between the optimum figures of merit and the optimum power factors of semiconductors despite of the fact that the two quantities are generally given by different values of chemical potentials. By introducing a dimensionless parameter consisting of the optimum power factor and lattice thermal conductivity (without electronic thermal conductivity), it is possible to unify optimum figures of merit of both bulk and low-dimensional semiconductors into a single universal curve that covers many materials with different dimensionalities.

  16. Inelastic light scattering by low-lying excitations of electrons in low-dimensional semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrini, V. [NEST CNR-INFM and Scuola Normale Superiore, Pisa (Italy); Pinczuk, A. [Department of Physics, Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey (United States)

    2006-11-15

    The low-dimensional electron systems that reside in artificial semiconductor heterostructures of great perfection are a contemporary materials base for explorations of collective phenomena. Studies of low-lying elementary excitations by inelastic light scattering offer insights on properties such energetics, interactions and spin magnetization. We review here recent light scattering results obtained from two-dimensional (2D) quantum fluids in semiconductor heterostructures under extreme conditions of low temperature and large magnetic field, where the quantum Hall phases are archetypes of novel behaviors. We also consider recent light scattering experiments that have probed the excitation spectra of few-electron states in semiconductor quantum dots. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Salty popcorn in a homogeneous low-dimensional toy model of holographic QCD

    International Nuclear Information System (INIS)

    Elliot-Ripley, Matthew

    2017-01-01

    Recently, a homogeneous ansatz has been used to study cold dense nuclear matter in the Sakai–Sugimoto model of holographic QCD. To justify this homogeneous approximation we here investigate a homogeneous ansatz within a low-dimensional toy version of Sakai–Sugimoto to study finite baryon density configurations and compare it to full numerical solutions. We find the ansatz corresponds to enforcing a dyon salt arrangement in which the soliton solutions are split into half-soliton layers. Within this ansatz we find analogues of the proposed baryonic popcorn transitions, in which solutions split into multiple layers in the holographic direction. The homogeneous results are found to qualitatively match the full numerical solutions, lending confidence to the homogeneous approximations of the full Sakai–Sugimoto model. In addition, we find exact compact solutions in the high density, flat space limit which demonstrate the existence of further popcorn transitions to three layers and beyond. (paper)

  18. ABC-model analysis of gain-switched pulse characteristics in low-dimensional semiconductor lasers

    Science.gov (United States)

    Bao, Xumin; Liu, Yuejun; Weng, Guoen; Hu, Xiaobo; Chen, Shaoqiang

    2018-01-01

    The gain-switching dynamics of low-dimensional semiconductor lasers is simulated numerically by using a two-dimensional rate-equation model. Use is also made of the ABC model, where the carrier recombination rate is described by a function of carrier densities including Shockley - Read - Hall (SRH) recombination coefficient A, spontaneous emission coefficient B and Auger recombination coefficient C. Effects of the ABC parameters on the ultrafast gain-switched pulse characteristics with high-density pulse excitation are analysed. It is found that while the parameter A has almost no obvious effects, the parameters B and C have distinctly different effects: B influences significantly the delay time of the gain-switched pulse, while C affects mainly the pulse intensity.

  19. A Review on the Low-Dimensional and Hybridized Nanostructured Diamond Films

    Directory of Open Access Journals (Sweden)

    Hongdong Li

    2015-01-01

    Full Text Available In the last decade, besides the breakthrough of high-rate growth of chemical vapor deposited single-crystal diamonds, numerous nanostructured diamond films have been rapidly developed in the research fields of the diamond-based sciences and industrial applications. The low-dimensional diamonds of two-dimensional atomic-thick nanofilms and nanostructural diamond on the surface of bulk diamond films have been theoretically and experimentally investigated. In addition, the diamond-related hybrid nanostructures of n-type oxide/p-type diamond and n-type nitride/p-type diamond, having high performance physical and chemical properties, are proposed for further applications. In this review, we first briefly introduce the three categories of diamond nanostructures and then outline the current advances in these topics, including their design, fabrication, characterization, and properties. Finally, we address the remaining challenges in the research field and the future activities.

  20. A low-dimensional tool for predicting force decomposition coefficients for varying inflow conditions

    KAUST Repository

    Ghommem, Mehdi; Akhtar, Imran; Hajj, M. R.

    2013-01-01

    We develop a low-dimensional tool to predict the effects of unsteadiness in the inflow on force coefficients acting on a circular cylinder using proper orthogonal decomposition (POD) modes from steady flow simulations. The approach is based on combining POD and linear stochastic estimator (LSE) techniques. We use POD to derive a reduced-order model (ROM) to reconstruct the velocity field. To overcome the difficulty of developing a ROM using Poisson's equation, we relate the pressure field to the velocity field through a mapping function based on LSE. The use of this approach to derive force decomposition coefficients (FDCs) under unsteady mean flow from basis functions of the steady flow is illustrated. For both steady and unsteady cases, the final outcome is a representation of the lift and drag coefficients in terms of velocity and pressure temporal coefficients. Such a representation could serve as the basis for implementing control strategies or conducting uncertainty quantification. Copyright © 2013 Inderscience Enterprises Ltd.

  1. The Dependency Structure of Coordinate Phrases: A Corpus Approach

    Science.gov (United States)

    Temperley, David

    2005-01-01

    Hudson (1990) proposes that each conjunct in a coordinate phrase forms dependency relations with heads or dependents outside the coordinate phrase (the "multi-head" view). This proposal is tested through corpus analysis of Wall Street Journal text. For right-branching constituents (such as direct-object NPs), a short-long preference for conjunct…

  2. Low-dimensional morphospace of topological motifs in human fMRI brain networks

    Directory of Open Access Journals (Sweden)

    Sarah E. Morgan

    2018-06-01

    Full Text Available We present a low-dimensional morphospace of fMRI brain networks, where axes are defined in a data-driven manner based on the network motifs. The morphospace allows us to identify the key variations in healthy fMRI networks in terms of their underlying motifs, and we observe that two principal components (PCs can account for 97% of the motif variability. The first PC of the motif distribution is correlated with efficiency and inversely correlated with transitivity. Hence this axis approximately conforms to the well-known economical small-world trade-off between integration and segregation in brain networks. Finally, we show that the economical clustering generative model proposed by Vértes et al. (2012 can approximately reproduce the motif morphospace of the real fMRI brain networks, in contrast to other generative models. Overall, the motif morphospace provides a powerful way to visualize the relationships between network properties and to investigate generative or constraining factors in the formation of complex human brain functional networks. Motifs have been described as the building blocks of complex networks. Meanwhile, a morphospace allows networks to be placed in a common space and can reveal the relationships between different network properties and elucidate the driving forces behind network topology. We combine the concepts of motifs and morphospaces to create the first motif morphospace of fMRI brain networks. Crucially, the morphospace axes are defined by the motifs, in a data-driven manner. We observe strong correlations between the networks’ positions in morphospace and their global topological properties, suggesting that motif morphospaces are a powerful way to capture the topology of networks in a low-dimensional space and to compare generative models of brain networks. Motif morphospaces could also be used to study other complex networks’ topologies.

  3. Phase coexistence and magnetic behavior in the low-dimensional hexagonal cobaltites BaxA1-xCoO3-δ (A = Mg or Ca and 0 ⩽ x ⩽ 0.20)

    Science.gov (United States)

    Oliveira, M. P.; Mercena, S. G.; Meneses, C. T.; Jesus, C. B. R.; Pagliuso, P. G.; Duque, J. G. S.

    2018-04-01

    In this work, we report on X-ray diffraction and magnetization measurements carried out in the low-dimensional hexagonal cobaltites BaxA1-xCoO3-δ (A = Mg or Ca, 0 ⩽ x ⩽ 0.20 and δ = 0 or 0.4). Polycrystalline samples have been synthesized by solid-state reaction. The Rietveld refinements of the X-ray diffraction patterns show clearly a phase coexistence of both BaCoO2.6 and BaCoO3 hexagonal polytype structures (space group: P63/mmc), which is dependent on both the dopant ion and doping level. At low temperatures (T 0.10 the low temperature hysteresis is not observed anymore. The field-dependence of ZFC-FC curves taken for the sample grown with x = 0 show a displacement of the peak position into low temperature region. Except for the sample grown with x = 0.20, the MvsH loops taken at T = 2 K show multiple steps in the field region ranging - 15 ⩽ H ⩽ 15 kOe . Finally, the saturation magnetization values are consistent with a low-spin state for the Co2+ or Co4+ ions.

  4. Electric control of magnetism in low-dimensional magnets on ferroelectric surfaces

    Directory of Open Access Journals (Sweden)

    Dorj Odkhuu

    2017-05-01

    Full Text Available Employing first-principles electronic structure calculations, we have studied the electric field controls of magnetism and magnetic anisotropy energy (MAE of the Fe adatoms on ferroelectric BaTiO3 and PbTiO3 surfaces. Remarkably, those effects exhibit dependence of the level of coverage as well as adsorption site of Fe atoms. While the magnitude of MAE is shown tunable by ferroelectric polarization in the full coverage of Fe monolayer, the direction of magnetization undergoes a transition from perpendicular to in-plane for the half or lower coverages. This magnetization reorientation is mainly ascribed to the site-dependent Fe d–O p hybridization, as a consequence of the formation of FeTiO2 layer at the surface.

  5. On the dynamics of the age structure, dependency, and consumption

    Science.gov (United States)

    Hock, Heinrich

    2013-01-01

    We examine the effects of population aging due to declining fertility and rising elderly life expectancy on consumption possibilities in the presence of intergenerational transfers. Our analysis is based on a highly tractable continuous-time overlapping generations model in which the population is divided into three groups (youth dependents, workers, and elderly dependents) and lifecourse transitions take place in a probabilistic fashion. We show that the consumption-maximizing response to greater longevity in highly developed countries is an increase in fertility. However, with larger transfer payments, the actual fertility response will likely be the opposite, leading to further population aging. PMID:24353374

  6. Depth dependent local structures in CoPt thin films

    Energy Technology Data Exchange (ETDEWEB)

    Souza-Neto, N M [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Ramos, A Y; Tolentino, H C N; Joly, Y, E-mail: aline.ramos@grenoble.cnrs.f [Institut Neel, CNRS et Univ. Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France)

    2009-11-15

    X-ray absorption spectroscopy (XAS) has been used to clarify the thickness-dependent magnetic properties in nanometric CoPt films. We get benefit from the variation of the sampling depth with the grazing angle to investigate the variations of the local order within the film. In order to properly reconstruct the 3D information the experiments were performed either in the in-plane as in the out-of-plane geometries and supported by ab initio calculations. A depth dependence in the chemical order is revealed and the magnetic behavior is interpreted within this framework.

  7. Continuous compliance compensation of position-dependent flexible structures

    NARCIS (Netherlands)

    Kontaras, Nikolaos; Heertjes, Marcel; Zwart, Heiko J.

    2016-01-01

    The implementation of lightweight high-performance motion systems in lithography and other applications imposes lower requirements on actuators, amplifiers, and cooling. However, the decreased stiffness of lightweight designs increases the effect of structural flexibilities especially when the point

  8. Structural Implications of Reciprocal Exchange: A Power-Dependence Approach

    Science.gov (United States)

    Bonacich, Phillip; Bienenstock, Elisa Jayne

    2009-01-01

    This paper presents and tests a general model to predict emergent exchange patterns and power differences in reciprocal exchange networks when individual actors follow the norm of reciprocity. With an interesting qualification, the experimental results reported here support the power-dependence approach (Emerson 1972a, b): those who acquire the…

  9. Linezolid-Dependent Function and Structure Adaptation of Ribosomes in a Staphylococcus epidermidis Strain Exhibiting Linezolid Dependence

    OpenAIRE

    Kokkori, Sofia; Apostolidi, Maria; Tsakris, Athanassios; Pournaras, Spyros; Stathopoulos, Constantinos; Dinos, George

    2014-01-01

    Linezolid-dependent growth was recently reported in Staphylococcus epidermidis clinical strains carrying mutations associated with linezolid resistance. To investigate this unexpected behavior at the molecular level, we isolated active ribosomes from one of the linezolid-dependent strains and we compared them with ribosomes isolated from a wild-type strain. Both strains were grown in the absence and presence of linezolid. Detailed biochemical and structural analyses revealed essential differe...

  10. The Time-Dependent Structure of the Electron Reconnection Layer

    Science.gov (United States)

    Hesse, Michael; Zenitani, Seiji; Kuznetsova, Masha; Klimas, Alex

    2009-01-01

    Collisionless magnetic reconnection is often associated with time-dependent behavior. Specifically, current layers in the diffusion region can become unstable to tearing-type instabilities on one hand, or to instabilities with current-aligned wave vectors on the other. In the former case, the growth of tearing instabilities typically leads to the production of magnetic islands, which potentially provide feedback on the reconnection process itself, as well as on the rate of reconnection. The second class of instabilities tend to modulate the current layer along the direction of the current flow, for instance generating kink-type perturbations, or smaller-scale turbulence with the potential to broaden the current layer. All of these processes contribute to rendering magnetic reconnection time-dependent. In this presentation, we will provide a summary of these effects, and a discussion of how much they contribute to the overall magnetic reconnection rate.

  11. Temperature-dependent structural properties of P3HT films

    Energy Technology Data Exchange (ETDEWEB)

    Grigorian, S; Joshi, S; Pietsch, U, E-mail: grigorian@physik.uni-siegen.de [Institute of Physics, University Siegen, Walter Flex Strasse 3, D-57068, Siegen (Germany)

    2010-11-15

    Structural investigations of spin coated and drop cast poly(3-hexylthiophene) P3HT films have been performed under x-ray grazing incidence geometry. Drop cast films revealed to be highly oriented and crystalline and only slightly modify with the temperature. In contrast, spin coated films provided random orientational distribution of nanocrystallites and undergo significant morphological and structural changes during annealing. Interestingly, spin coated films of low and high molecular weight fractions behavior differently as a function of temperature. Crystalline domains of the low molecular weight fractions have been decreased, and, in contrast, we found an improvement of crystallinity of high molecular weight fraction with increase of the temperature.

  12. Temperature-dependent structural properties of P3HT films

    International Nuclear Information System (INIS)

    Grigorian, S; Joshi, S; Pietsch, U

    2010-01-01

    Structural investigations of spin coated and drop cast poly(3-hexylthiophene) P3HT films have been performed under x-ray grazing incidence geometry. Drop cast films revealed to be highly oriented and crystalline and only slightly modify with the temperature. In contrast, spin coated films provided random orientational distribution of nanocrystallites and undergo significant morphological and structural changes during annealing. Interestingly, spin coated films of low and high molecular weight fractions behavior differently as a function of temperature. Crystalline domains of the low molecular weight fractions have been decreased, and, in contrast, we found an improvement of crystallinity of high molecular weight fraction with increase of the temperature.

  13. Intercalation compounds of NbSe2 und SnSe2. Model systems for low-dimensional superconductors

    International Nuclear Information System (INIS)

    Herzinger, Michael

    2013-01-01

    Quasi-two-dimensional (2D) metal dichalcogenides have received considerable research interest since their complex anisotropic electronic properties can be controlled by the intercalation of donor species. Although layered dichalcogenides have been studied by many aspects of chemical and physical properties, their two-dimensional character is only poorly understood. The present work deals with the layer-shaped dichalcogenides SnSe 2 and NbSe 2 . The host-material SnSe 2 was synthesized by chemical transport with Iodine as transport agent in sealed quartz ampoules. The intercalation of the semiconducting layered single crystals SnSe 2 with the organometallic compound cobaltocene (CoCp 2 ) leads to superconductivity up to T = 8 K. Ex-situ intercalation studies show an intercalation-mechanism outgoing from the host material 2H-SnSe 2 in a stage-2 phase which goes over in a stage-1 phase for higher intercalation degrees. In addition, SnSe 2 {CoCp 2 } x show remarkable low-temperature properties e.g. the coexistence of superconductivity and magnetism in dependence of the staging and cobaltocene-content of the material. Starting from an intercalation degree of 17% CoCp 2 long range ordered magnetism (with increasing saturation magnetization) was observed in 18R-SnSe 2 {CoCp 2 } x . Furthermore SnSe 2 {CoCp 2 } x show an extremely sensitive superconducting pinning behavior in very small magnetic fields partially below B 2 -content. A phase diagram was developed in dependence of the degree of intercalation over the whole range of intercalation between 0 % and 33 %. For comparison of the low-temperature character of SnSe 2 {CoCp 2 } x , another layer-shaped superconductor NbSe 2 was intercalated with CoCp 2 . The layered high-k s-wave superconductor 2H-NbSe 2 belongs to the most prominent low-dimensional materials studied during the past fifty years. After the discovery of the high temperature superconductor MgB 2 , a benchmark system for multi-band superconductivity, NbSe 2

  14. Spin-dependent parton distributions and structure functions

    International Nuclear Information System (INIS)

    Bentz, W.; Ito, T.; Cloet, I.C.; Thomas, A.W.; Yazaki, K.

    2008-01-01

    Nuclear parton distributions and structure functions are determined in an effective chiral quark theory. We also discuss an extension of our model to fragmentation functions. Presented at the 20th Few-Body Conference, Pisa, Italy, 10-14 September 2007. (author)

  15. Doping-dependent quasiparticle band structure in cuprate superconductors

    NARCIS (Netherlands)

    Eder, R; Ohta, Y.; Sawatzky, G.A

    1997-01-01

    We present an exact diagonalization study of the single-particle spectral function in the so-called t-t'-t ''-J model in two dimensions. As a key result, we find that hole doping leads to a major reconstruction of the quasiparticle band structure near (pi,0): whereas for the undoped system the

  16. Low-dimensional organization of angular momentum during walking on a narrow beam.

    Science.gov (United States)

    Chiovetto, Enrico; Huber, Meghan E; Sternad, Dagmar; Giese, Martin A

    2018-01-08

    Walking on a beam is a challenging motor skill that requires the regulation of upright balance and stability. The difficulty in beam walking results from the reduced base of support compared to that afforded by flat ground. One strategy to maintain stability and hence avoid falling off the beam is to rotate the limb segments to control the body's angular momentum. The aim of this study was to examine the coordination of the angular momentum variations during beam walking. We recorded movement kinematics of participants walking on a narrow beam and computed the angular momentum contributions of the body segments with respect to three different axes. Results showed that, despite considerable variability in the movement kinematics, the angular momentum was characterized by a low-dimensional organization based on a small number of segmental coordination patterns. When the angular momentum was computed with respect to the beam axis, the largest fraction of its variation was accounted for by the trunk segment. This simple organization was robust and invariant across all participants. These findings support the hypothesis that control strategies for complex balancing tasks might be easier to understand by investigating angular momentum instead of the segmental kinematics.

  17. Low dimensional chaotic models for the plague epidemic in Bombay (1896–1911)

    International Nuclear Information System (INIS)

    Mangiarotti, Sylvain

    2015-01-01

    A plague epidemic broke out in Bombay in 1896 and became endemic. From 1905 to 1911, the epidemic was closely monitored by an Advisory Committee appointed to investigate the causes of the disease in any way. An impressive quantity of information was gathered, analyzed and published. Published data include records of the number of people who died from plague, and of the two main populations of rodents which were infected by plague in Bombay city. In the present paper, these data are revisited using a global modeling technique. This technique is applied to both single and multivariate observational time series. Several models are obtained for which a chaotic behavior can be observed. Obtaining such models proves that the dynamics of plague can be approximated by low-dimensional deterministic systems that can produce chaos. The multivariate models give a strong argument for interactive couplings between the epidemic and the epizootics of the two main species of rat. An interpretation of this coupling is given.

  18. Using postural synergies to animate a low-dimensional hand avatar in haptic simulation.

    Science.gov (United States)

    Mulatto, Sara; Formaglio, Alessandro; Malvezzi, Monica; Prattichizzo, Domenico

    2013-01-01

    A technique to animate a realistic hand avatar with 20 DoFs based on the biomechanics of the human hand is presented. The animation does not use any sensor glove or advanced tracker with markers. The proposed approach is based on the knowledge of a set of kinematic constraints on the model of the hand, referred to as postural synergies, which allows to represent the hand posture using a number of variables lower than the number of joints of the hand model. This low-dimensional set of parameters is estimated from direct measurement of the motion of thumb and index finger tracked using two haptic devices. A kinematic inversion algorithm has been developed, which takes synergies into account and estimates the kinematic configuration of the whole hand, i.e., also of the fingers whose end tips are not directly tracked by the two haptic devices. The hand skin is deformable and its deformation is computed using a linear vertex blending technique. The proposed synergy-based animation of the hand avatar involves only algebraic computations and is suitable for real-time implementation as required in haptics.

  19. Learning Low Dimensional Convolutional Neural Networks for High-Resolution Remote Sensing Image Retrieval

    Directory of Open Access Journals (Sweden)

    Weixun Zhou

    2017-05-01

    Full Text Available Learning powerful feature representations for image retrieval has always been a challenging task in the field of remote sensing. Traditional methods focus on extracting low-level hand-crafted features which are not only time-consuming but also tend to achieve unsatisfactory performance due to the complexity of remote sensing images. In this paper, we investigate how to extract deep feature representations based on convolutional neural networks (CNNs for high-resolution remote sensing image retrieval (HRRSIR. To this end, several effective schemes are proposed to generate powerful feature representations for HRRSIR. In the first scheme, a CNN pre-trained on a different problem is treated as a feature extractor since there are no sufficiently-sized remote sensing datasets to train a CNN from scratch. In the second scheme, we investigate learning features that are specific to our problem by first fine-tuning the pre-trained CNN on a remote sensing dataset and then proposing a novel CNN architecture based on convolutional layers and a three-layer perceptron. The novel CNN has fewer parameters than the pre-trained and fine-tuned CNNs and can learn low dimensional features from limited labelled images. The schemes are evaluated on several challenging, publicly available datasets. The results indicate that the proposed schemes, particularly the novel CNN, achieve state-of-the-art performance.

  20. Low-dimensional recurrent neural network-based Kalman filter for speech enhancement.

    Science.gov (United States)

    Xia, Youshen; Wang, Jun

    2015-07-01

    This paper proposes a new recurrent neural network-based Kalman filter for speech enhancement, based on a noise-constrained least squares estimate. The parameters of speech signal modeled as autoregressive process are first estimated by using the proposed recurrent neural network and the speech signal is then recovered from Kalman filtering. The proposed recurrent neural network is globally asymptomatically stable to the noise-constrained estimate. Because the noise-constrained estimate has a robust performance against non-Gaussian noise, the proposed recurrent neural network-based speech enhancement algorithm can minimize the estimation error of Kalman filter parameters in non-Gaussian noise. Furthermore, having a low-dimensional model feature, the proposed neural network-based speech enhancement algorithm has a much faster speed than two existing recurrent neural networks-based speech enhancement algorithms. Simulation results show that the proposed recurrent neural network-based speech enhancement algorithm can produce a good performance with fast computation and noise reduction. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Towards room-temperature superconductivity in low-dimensional C60 nanoarrays: An ab initio study

    Science.gov (United States)

    Erbahar, Dogan; Liu, Dan; Berber, Savas; Tománek, David

    2018-04-01

    We propose to raise the critical temperature Tc for superconductivity in doped C60 molecular crystals by increasing the electronic density of states at the Fermi level N (EF) and thus the electron-phonon coupling constant in low-dimensional C60 nanoarrays. We consider both electron and hole dopings and present numerical results for N (EF) , which increases with the decreasing bandwidth of the partly filled hu- and t1 u-derived frontier bands with the decreasing coordination number of C60. Whereas a significant increase in N (EF) occurs in two-dimensional (2D) arrays of doped C60 intercalated in-between graphene layers, we propose that the highest-Tc values approaching room temperature may occur in bundles of nanotubes filled by one-dimensional (1D) arrays of externally doped C60 or La @C60 or in diluted three-dimensional (3D) crystals where quasi-1D arrangements of C60 form percolation paths.

  2. A low-dimensional tool for predicting force decomposition coefficients for varying inflow conditions

    KAUST Repository

    Ghommem, Mehdi

    2013-01-01

    We develop a low-dimensional tool to predict the effects of unsteadiness in the inflow on force coefficients acting on a circular cylinder using proper orthogonal decomposition (POD) modes from steady flow simulations. The approach is based on combining POD and linear stochastic estimator (LSE) techniques. We use POD to derive a reduced-order model (ROM) to reconstruct the velocity field. To overcome the difficulty of developing a ROM using Poisson\\'s equation, we relate the pressure field to the velocity field through a mapping function based on LSE. The use of this approach to derive force decomposition coefficients (FDCs) under unsteady mean flow from basis functions of the steady flow is illustrated. For both steady and unsteady cases, the final outcome is a representation of the lift and drag coefficients in terms of velocity and pressure temporal coefficients. Such a representation could serve as the basis for implementing control strategies or conducting uncertainty quantification. Copyright © 2013 Inderscience Enterprises Ltd.

  3. On low-dimensional models at NMR line shape analysis in nanomaterial systems

    Science.gov (United States)

    Kucherov, M. M.; Falaleev, O. V.

    2018-03-01

    We present a model of localized spin dynamics at room temperature for the low-dimensional solid-state spin system, which contains small ensembles of magnetic nuclei (N ~ 40). The standard spin Hamiltonian (XXZ model) is the sum of the Zeeman term in a strong external magnetic field and the magnetic dipole interaction secular term. The 19F spins in a single crystal of fluorapatite [Ca5(PO4)3F] have often been used to approximate a one-dimensional spin system. If the constant external field is parallel to the c axis, the 3D 19F system may be treated as a collection of many identical spin chains. When considering the longitudinal part of the secular term, we suggest that transverse component of a spin in a certain site rotates in a constant local magnetic field. This field changes if the spin jumps to another site. On return, this spin continues to rotate in the former field. Then we expand the density matrix in a set of eigenoperators of the Zeeman Hamiltonian. A system of coupled differential equations for the expansion coefficients then solved by straightforward numerical methods, and the fluorine NMR line shapes of fluorapatite for different chain lengths are calculated.

  4. Spin-dependent Nucleon Structure Studies at MIT/Bates

    International Nuclear Information System (INIS)

    Botto, T.

    2005-01-01

    We present preliminary results from recent measurements of the proton, neutron and deuterium electro-magnetic form factors obtained by the BLAST collaboration at the MIT/Bates Linear Accelerator Facility. BLAST (Bates Large Acceptance Spectrometer Toroid) is a large-acceptance multi-purpose detector dedicated to studies of exclusive spin-dependent electron scattering from internal polarized targets. BLAST makes use of stored electron beam currents in excess of 150 mA with a 60-70% polarization. The electron beam is let through a 15 mm diameter, 60 cm long open-ended storage cell which is fed with ultra-pure, high-polarization H1,D1 gas from an Atomic Beam Source. The target polarization can be rapidly reversed between different vector and tensor target states, thus minimizing systematic uncertainties. The target spin can be oriented to any in-plane direction via a set of Helmholtz coils. Target polarizations in the storage cell of up to 80% (vector) and 70% (tensor) have been routinely achieved over a period of several months. Our data on the D-vector(e-vector,e'n) reaction off vector polarized deuterium allow for a unique extraction of the neutron charge form factor G E n . At same time, complementary measurements of G M n , T20 and the spin-dependent nucleon momentum distributions in deuterium are obtained via the D-vector(e-vector,e'), D (e-vector,e'd) and D (e-vector,e'p) reactions. In addition, BLAST data on vector polarized hydrogen will provide novel measurements of the GE/GM form-factor ratio on the proton as well as of the spin-dependent electro-excitation of the Δ(1232) resonance. Such comprehensive program on few body physics is now well underway and preliminary data will be presented

  5. Neutron scattering investigations of the lipid bilayer structure pressure dependence

    Directory of Open Access Journals (Sweden)

    D. V. Soloviov

    2012-03-01

    Full Text Available Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia are presented. Experiment has been per-formed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing P-V-T measurements on the substance under investigation. D2O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC liquid system, presenting the model of natural live membrane, has been taken as the sample for investiga-tions. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simulta-neously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicat-ing occurrence of the phase transition.

  6. Neutron scattering investigations of the lipid bilayer structure pressure dependence

    International Nuclear Information System (INIS)

    Solovjov, D.V.; Gordelyij, V.Yi.; Gorshkova, Yu.Je.; Yivan'kov, O.Yi.; Koval'ov, Yu.S.; Kuklyin, A.Yi.; Solovjov, D.V.; Bulavyin, L.A.; Yivan'kov, O.Yi.; Nyikolajenko, T.Yu.; Kuklyin, A.Yi.; Gordelyij, V.Yi.; Gordelyij, V.Yi.

    2012-01-01

    Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia) are presented. Experiment has been performed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing PV-T measurements on the substance under investigation. D 2 O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) liquid system, presenting the model of natural live membrane, has been taken as the sample for investigations. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simultaneously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase) phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicating occurrence of the phase transition.

  7. Evolution of Tertiary Structure of Viral RNA Dependent Polymerases

    Czech Academy of Sciences Publication Activity Database

    Černý, Jiří; Černá, B.; Valdés, James J.; Grubhoffer, Libor; Růžek, Daniel

    2014-01-01

    Roč. 9, č. 5 (2014), e96070 E-ISSN 1932-6203 R&D Projects: GA ČR GAP502/11/2116; GA ČR GAP302/12/2490; GA MŠk(CZ) EE2.3.30.0032 Institutional support: RVO:60077344 Keywords : Q-BETA replicase * C virus RNA * crystal structure Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 3.234, year: 2014

  8. Many-particle theory of optical properties in low-dimensional nanostructures. Dynamics in single-walled carbon nanotubes and semiconductor quantum dots

    International Nuclear Information System (INIS)

    Malic, Ermin

    2008-01-01

    This work focuses on the theoretical investigation of optical properties of low-dimensional nanostructures, specifically single-walled carbon nanotubes (CNTs) and self-assembled InAs/GaAs quantum dots (QDs). The density-matrix formalism is applied to explain recent experimental results and to give insight into the underlying physics. A microscopic calculation of the absorption coefficient and the Rayleigh scattering cross section is performed by a novel approach combining the density-matrix formalism with the tight-binding wave functions. The calculated spectra of metallic nanotubes show a double-peaked structure resulting from the trigonal warping effect. The intensity ratios of the four lowest-lying transitions in both absorption and Rayleigh spectra can be explained by the different behavior of the optical matrix elements along the high-symmetry lines K-Γ and K-M. The Rayleigh line shape is predicted to be asymmetric, with an enhanced cross section for lower photon energies arising from non-resonant contributions of the optical susceptibility. Furthermore, the Coulomb interaction is shown to be maximal when the momentum transfer is low. For intersubband processes with a perpendicular momentum transfer, the coupling strength is reduced to less than 5%. The chirality and diameter dependence of the excitonic binding energy and the transition frequency are presented in Kataura plots. Furthermore, the influence of the surrounding environment on the optical properties of CNTs is investigated. Extending the confinement to all three spatial dimensions, semiconductor Bloch equation are derived to describe the dynamics in QD semiconductor lasers and amplifiers. A detailed microscopic analysis of the nonlinear turn-on dynamics of electrically pumped InAs/GaAs QD lasers is performed, showing the generation of relaxation oscillations on a nanosecond time scale in both the photon and charge carrier density. The theory predicts a strong damping of relaxation oscillations

  9. Many-particle theory of optical properties in low-dimensional nanostructures. Dynamics in single-walled carbon nanotubes and semiconductor quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Malic, Ermin

    2008-09-02

    This work focuses on the theoretical investigation of optical properties of low-dimensional nanostructures, specifically single-walled carbon nanotubes (CNTs) and self-assembled InAs/GaAs quantum dots (QDs). The density-matrix formalism is applied to explain recent experimental results and to give insight into the underlying physics. A microscopic calculation of the absorption coefficient and the Rayleigh scattering cross section is performed by a novel approach combining the density-matrix formalism with the tight-binding wave functions. The calculated spectra of metallic nanotubes show a double-peaked structure resulting from the trigonal warping effect. The intensity ratios of the four lowest-lying transitions in both absorption and Rayleigh spectra can be explained by the different behavior of the optical matrix elements along the high-symmetry lines K-{gamma} and K-M. The Rayleigh line shape is predicted to be asymmetric, with an enhanced cross section for lower photon energies arising from non-resonant contributions of the optical susceptibility. Furthermore, the Coulomb interaction is shown to be maximal when the momentum transfer is low. For intersubband processes with a perpendicular momentum transfer, the coupling strength is reduced to less than 5%. The chirality and diameter dependence of the excitonic binding energy and the transition frequency are presented in Kataura plots. Furthermore, the influence of the surrounding environment on the optical properties of CNTs is investigated. Extending the confinement to all three spatial dimensions, semiconductor Bloch equation are derived to describe the dynamics in QD semiconductor lasers and amplifiers. A detailed microscopic analysis of the nonlinear turn-on dynamics of electrically pumped InAs/GaAs QD lasers is performed, showing the generation of relaxation oscillations on a nanosecond time scale in both the photon and charge carrier density. The theory predicts a strong damping of relaxation oscillations

  10. Thermodynamic studies at the low-dimensional spin systems HP-(VO)2P2O7, SrCu2(BO3)2, and azurite

    International Nuclear Information System (INIS)

    Bruehl, Andreas

    2007-01-01

    The present thesis deals with the low-temperature properties of three low-dimensional spin systems. The main experimental topic lies on measurements on the thermal expansion and on the specific heat, which were performed with a high-resolution capacitative dilatometer respectively an AC calorimeter facility. Because the so-called magnetic Grueneisen parameters, which describe the strength of the coupling of the magnetic partial system to the lattice, are throughout very large, especially the thermal-expansion measurements yield valuable information on the understanding of the treated systems. The central result of this thesis represent measurements on the high-pressure phase of (VO) 2 P 2 O 7 , briefly PP-VOPO. This system consists of alternating spin chains, whereby both exchange constants have similar values, i. e. only a weak alternation is present. In the thermal expansion an anomaly especially pronounced in chain direction at about 13 K. From the Grueneisen parameters determined by application of this model it can be concluded that the pronounced low-temperature anomaly in HP-VOPO is partly caused by the strong deformation dependence of the smaller of the two exchange constants, but partly also on the neighbourhood to a quantum critical point. The two-dimensional dimer system SrCu 2 (BO 3 ) 2 has gotten fame by the localization of the triplet excitations and the magnetization plateaus at certain fractions of the saturation magnetization conditioned by this. In the thermal expansion a distinct anomaly at the same temperature (T=8 K) is observed, as it also occurs in the specific heat. Finally measurements at the natural mineral azurite are presented, in which the spin are arranged in so-called diamond chains. In the magnetic susceptibility, the specific heat, and the thermal expansion a remarkable double structure occurs. Also the Λ-shaped antiferromagnetic order transition was studied and the phase diagram, consisting of paramagnetic, antiferromagnetic, and

  11. Lithium concentration dependent structure and mechanics of amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sitinamaluwa, H. S.; Wang, M. C.; Will, G.; Senadeera, W.; Yan, C., E-mail: c2.yan@qut.edu.au [School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology (QUT), Brisbane QLD 4001 (Australia); Zhang, S. [Centre for Clean Environment and Energy, Environmental Futures Research Institute and Griffith School of Environment, Gold Coast Campus, Griffith University, QLD 4222 (Australia)

    2016-06-28

    A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of Li{sub x}Si alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a Li{sub x}Si system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

  12. Dependence of ICF reaction dynamics on target structure

    International Nuclear Information System (INIS)

    Kumar, Kamal; Dutt, Sunil; GulI, Muntazir; Ahmad, Tauseef; Rizvi, I.A.; Ali, Sabir; Agarwal, Avinash; Kumar, R.; Chaubey, A.K.

    2016-01-01

    The projectile structure is also found responsible for the ICF reaction processes. It is found that projectile having bigger alpha cluster is more unstable towards break up. In this context, a comparative study of 12 C and 16 O ion-beams induced reactions with different targets has been done. The deduced ICF contributions for different systems have been plotted against the target charge of different targets. It is observed that target properties may also be responsible for the interplay between CF and ICF reaction dynamics

  13. Structural Dependence of Physical Properties in Sodium Boroaluminosilicate Glasses

    DEFF Research Database (Denmark)

    Zheng, Qiuju; Potuzak, Marcel; Mauro, John C.

    Boroaluminosilicate glasses have found applications in many fields. The extent and nature of the mixing of network formers like SiO2, B2O3, and Al2O3 play an important role in controlling the macroscopic properties. To understand the structure-property correlations in these glasses, we study...... a series of sodium boroaluminosilicate glasses with various [Al2O3]/[SiO2] ratios to access different regimes of sodium behavior. We determine dynamic properties, elastic moduli, and hardness of these glasses. The results reveal an existence of local minimum for density, fragility index, Young’s and shear...

  14. Solubility Temperature Dependence Predicted from 2D Structure

    Directory of Open Access Journals (Sweden)

    Alex Avdeef

    2015-12-01

    Full Text Available The objective of the study was to find a computational procedure to normalize solubility data determined at various temperatures (e.g., 10 – 50 oC to values at a “reference” temperature (e.g., 25 °C. A simple procedure was devised to predict enthalpies of solution, ΔHsol, from which the temperature dependence of intrinsic (uncharged form solubility, log S0, could be calculated. As dependent variables, values of ΔHsol at 25 °C were subjected to multiple linear regression (MLR analysis, using melting points (mp and Abraham solvation descriptors. Also, the enthalpy data were subjected to random forest regression (RFR and recursive partition tree (RPT analyses. A total of 626 molecules were examined, drawing on 2040 published solubility values measured at various temperatures, along with 77 direct calori    metric measurements. The three different prediction methods (RFR, RPT, MLR all indicated that the estimated standard deviations in the enthalpy data are 11-15 kJ mol-1, which is concordant with the 10 kJ mol-1 propagation error estimated from solubility measurements (assuming 0.05 log S errors, and consistent with the 7 kJ mol-1 average reproducibility in enthalpy values from interlaboratory replicates. According to the MLR model, higher values of mp, H‑bond acidity, polarizability/dipolarity, and dispersion forces relate to more positive (endothermic enthalpy values. However, molecules that are large and have high H-bond basicity are likely to possess negative (exothermic enthalpies of solution. With log S0 values normalized to 25 oC, it was shown that the interlaboratory average standard deviations in solubility measurement are reduced to 0.06 ‑ 0.17 log unit, with higher errors for the least-soluble druglike molecules. Such improvements in data mining are expected to contribute to more reliable in silico prediction models of solubility for use in drug discovery.

  15. Analysis of time-dependent reliability of degenerated reinforced concrete structure

    Directory of Open Access Journals (Sweden)

    Zhang Hongping

    2016-07-01

    Full Text Available Durability deterioration of structure is a highly random process. The maintenance of degenerated structure involves the calculation of the reliability of time-dependent structure. This study introduced reinforced concrete structure resistance decrease model and related statistical parameters of uncertainty, analyzed resistance decrease rules of corroded bending element of reinforced concrete structure, and finally calculated timedependent reliability of the corroded bending element of reinforced concrete structure, aiming to provide a specific theoretical basis for the application of time-dependent reliability theory.

  16. Halide-Dependent Electronic Structure of Organolead Perovskite Materials

    KAUST Repository

    Buin, Andrei

    2015-06-23

    © 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention both at the experimental and theoretical levels. These materials, in particular methylammonium triiodide, are still limited by poor chemical and structural stability under ambient conditions. Today this represents one of the major challenges for polycrystalline perovskite-based photovoltaic technology. In addition to this, the performance of perovskite-based devices is degraded by deep localized states, or traps. To achieve better-performing devices, it is necessary to understand the nature of these states and the mechanisms that lead to their formation. Here we show that the major sources of deep traps in the different halide systems have different origin and character. Halide vacancies are shallow donors in I-based perovskites, whereas they evolve into a major source of traps in Cl-based perovskites. Lead interstitials, which can form lead dimers, are the dominant source of defects in Br-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability in relation to the reaction enthalpies of mixtures of bulk precursors with respect to final perovskite product. Methylammonium lead triiodide is characterized by the lowest reaction enthalpy, explaining its low stability. At the opposite end, the highest stability was found for the methylammonium lead trichloride, also consistent with our experimental findings which show no observable structural variations over an extended period of time.

  17. New developments in the theoretical treatment of low dimensional strongly correlated systems.

    Science.gov (United States)

    James, Andrew J A; Konik, Robert M; Lecheminant, Philippe; Robinson, Neil; Tsvelik, Alexei M

    2017-10-09

    We review two important non-perturbative approaches for extracting the physics of low- dimensional strongly correlated quantum systems. Firstly, we start by providing a comprehensive review of non-Abelian bosonization. This includes an introduction to the basic elements of confor- mal field theory as applied to systems with a current algebra, and we orient the reader by presenting a number of applications of non-Abelian bosonization to models with large symmetries. We then tie this technique into recent advances in the ability of cold atomic systems to realize complex symme- tries. Secondly, we discuss truncated spectrum methods for the numerical study of systems in one and two dimensions. For one-dimensional systems we provide the reader with considerable insight into the methodology by reviewing canonical applications of the technique to the Ising model (and its variants) and the sine-Gordon model. Following this we review recent work on the development of renormalization groups, both numerical and analytical, that alleviate the effects of truncating the spectrum. Using these technologies, we consider a number of applications to one-dimensional systems: properties of carbon nanotubes, quenches in the Lieb-Liniger model, 1+1D quantum chro- modynamics, as well as Landau-Ginzburg theories. In the final part we move our attention to consider truncated spectrum methods applied to two-dimensional systems. This involves combining truncated spectrum methods with matrix product state algorithms. We describe applications of this method to two-dimensional systems of free fermions and the quantum Ising model, including their non-equilibrium dynamics. © 2017 IOP Publishing Ltd.

  18. Low Dimensional Embedding of Climate Data for Radio Astronomical Site Testing in the Colombian Andes

    Science.gov (United States)

    Chaparro Molano, Germán; Ramírez Suárez, Oscar Leonardo; Restrepo Gaitán, Oscar Alberto; Marcial Martínez Mercado, Alexander

    2017-10-01

    We set out to evaluate the potential of the Colombian Andes for millimeter-wave astronomical observations. Previous studies for astronomical site testing in this region have suggested that nighttime humidity and cloud cover conditions make most sites unsuitable for professional visible-light observations. Millimeter observations can be done during the day, but require that the precipitable water vapor column above a site stays below ˜10 mm. Due to a lack of direct radiometric or radiosonde measurements, we present a method for correlating climate data from weather stations to sites with a low precipitable water vapor column. We use unsupervised learning techniques to low dimensionally embed climate data (precipitation, rain days, relative humidity, and sunshine duration) in order to group together stations with similar long-term climate behavior. The data were taken over a period of 30 years by 2046 weather stations across the Colombian territory. We find six regions with unusually dry, clear-sky conditions, ranging in elevations from 2200 to 3800 masl. We evaluate the suitability of each region using a quality index derived from a Bayesian probabilistic analysis of the station type and elevation distributions. Two of these regions show a high probability of having an exceptionally low precipitable water vapor column. We compared our results with global precipitable water vapor maps and find a plausible geographical correlation with regions with low water vapor columns (˜10 mm) at an accuracy of ˜20 km. Our methods can be applied to similar data sets taken in other countries as a first step toward astronomical site evaluation.

  19. Linezolid-Dependent Function and Structure Adaptation of Ribosomes in a Staphylococcus epidermidis Strain Exhibiting Linezolid Dependence

    Science.gov (United States)

    Kokkori, Sofia; Apostolidi, Maria; Tsakris, Athanassios; Pournaras, Spyros

    2014-01-01

    Linezolid-dependent growth was recently reported in Staphylococcus epidermidis clinical strains carrying mutations associated with linezolid resistance. To investigate this unexpected behavior at the molecular level, we isolated active ribosomes from one of the linezolid-dependent strains and we compared them with ribosomes isolated from a wild-type strain. Both strains were grown in the absence and presence of linezolid. Detailed biochemical and structural analyses revealed essential differences in the function and structure of isolated ribosomes which were assembled in the presence of linezolid. The catalytic activity of peptidyltransferase was found to be significantly higher in the ribosomes derived from the linezolid-dependent strain. Interestingly, the same ribosomes exhibited an abnormal ribosomal subunit dissociation profile on a sucrose gradient in the absence of linezolid, but the profile was restored after treatment of the ribosomes with an excess of the antibiotic. Our study suggests that linezolid most likely modified the ribosomal assembly procedure, leading to a new functional ribosomal population active only in the presence of linezolid. Therefore, the higher growth rate of the partially linezolid-dependent strains could be attributed to the functional and structural adaptations of ribosomes to linezolid. PMID:24890589

  20. Growth and properties of low-dimensional III-V semiconductor nanowire heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Heiss, Martin

    2010-08-25

    In this work the properties of GaAs nanowire based heterostructures are investigated. The nanowires and their heterostructures are synthesized with Molecular Beam Epitaxy. The optical and structural properties are characterized by means of low temperature confocal micro-photoluminescence spectroscopy and Transmission Electron Microscopy. Molecular Beam Epitaxy is a versatile technique that allows to switch from radial to axial growth in order to cap the nanowires by an epitaxial prismatic AlGaAs/GaAs heterostructure. This can passivate surface states and improve the optical properties. The effect of such a passivation layer is studied by quantitative comparison of the diameter dependence of photoluminescence in passivated and unpassivated nanowires. The passivation is an important prerequisite for more complex axial heterostructures. Evidence for radial confinement effects is found in passivated nanowires with core diameters smaller than 70 nm. Furthermore, the polarization dependence of light absorption and emission is investigated. Two different types of axial heterostructures are studied that have the potential to further enhance the functionality of such nanowires. In a first step, the possibility of growth of axial InGaAs heterostructure in the Au-free Molecular Beam Epitaxy growth regime is investigated. Suitable growth conditions are identified and the growth temperature window for both GaAs and InGaAs nanowires is determined. At the optimum growth temperature for GaAs nanowires, the incorporation of indium in the structure is limited to a few percent. It is shown that by lowering the growth temperature the indium concentration in the structure can be increased up to 20%. The optical properties of the synthesized axial heterostructures are investigated by means of micro-photoluminescence spectroscopy and Transmission Electron Microscopy. The second type of axial nanowire heterostructure investigated in the present work is characterized by a change in crystal

  1. Optical dynamics in low-dimensional semiconductor heterostructures. Quantum dots and quantum cascade lasers

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Carsten

    2008-07-01

    This work is focused on the optical dynamics of mesoscopic semiconductor heterostructures, using as prototypes zero-dimensional quantum dots and quantum cascade lasers which consist of quasitwo- dimensional quantum wells. Within a density matrix theory, a microscopic many-particle theory is applied to study scattering effects in these structures: the coupling to external as well as local fields, electron-phonon coupling, coupling to impurities, and Coulomb coupling. For both systems, the investigated effects are compared to experimentally observed results obtained during the past years. In quantum dots, the three-dimensional spatial confinement leads to the necessity to consider a quantum kinetic description of the dynamics, resulting in non-Markovian electron-phonon effects. This can be seen in the spectral phonon sidebands due to interaction with acoustic phonons as well as a damping of nonlinear Rabi oscillations which shows a nonmonotonous intensity and pulse duration dependence. An analysis of the inclusion of the self-interaction of the quantum dot shows that no dynamical local field terms appear for the simple two-level model. Considering local fields which have their origin in many quantum dots, consequences for a two-level quantum dot such as a zero-phonon line broadening and an increasing signal in photon echo experiments are found. For the use of quantum dots in an optical spin control scheme, it is found that the dephasing due to the electron-phonon interaction can be dominant in certain regimes. Furthermore, soliton and breather solutions are studied analytically in nonlinear quantum dot ensembles. Generalizing to quasi-two-dimensional structures, the intersubband dynamics of quantum cascade laser structures is investigated. A dynamical theory is considered in which the temporal evolution of the subband populations and the current density as well as the influence of scattering effects is studied. In the nonlinear regime, the scattering dependence and

  2. Effects of fast neutrons on chromatin: dependence on chromatin structure

    Energy Technology Data Exchange (ETDEWEB)

    Radu, L. [Dept. of Molecular Genetics, V. Babes National Inst., Bd. Timisoara, Bucharest (Romania); Constantinescu, B. [Dept. of Cyclotron, H. Hulubei National Inst., Bucharest (Romania); Gazdaru, D. [Dept. of Biophysics, Physics Faculty, Univ. of Bucharest (Romania)

    2002-07-01

    The effects of fast neutrons (10-100 Gy) on chromatin extracted from normal (liver of Wistar rats) and tumor (Walker carcinosarcoma maintained on Wistar rats) tissues were compared. The spectroscopic assays used were (i) chromatin intrinsic fluorescence, (ii) time-resolved fluorescence of chromatin-proflavine complexes, and (iii) fluorescence resonance energy transfer (FRET) between dansyl chloride and acridine orange coupled to chromatin. For both normal and tumor chromatin, the intensity of intrinsic fluorescence specific for acidic and basic proteins decreased with increasing dose. The relative contributions of the excited-state lifetime of proflavine bound to chromatin were reduced upon fast-neutron irradiation, indicating a decrease in the proportion of chromatin DNA available for ligand binding. The Forster energy transfer efficiencies were also modified by irradiation. These effects were larger for chromatin from tumor tissue. In the range 0-100 Gy, fast neutrons induced alterations in DNA and acidic and basic proteins, as well as in global chromatin structure. The radiosensitivity of chromatin extracted from tumor tissue seems to be higher than that of chromatin extracted from normal tissue, probably because of its higher euchromatin (loose)-heterochromatin (compact) ratio. (author)

  3. Generalized Artificial Life Structure for Time-dependent Problems

    Institute of Scientific and Technical Information of China (English)

    TSAU Minhe; KAO Weiwen; CHANG Albert

    2009-01-01

    In recent years, more attention has been paid on artificial life researches. Artificial life(AL) is a research on regulating gene parameters of digital organisms under complicated problematic environments through natural selections and evolutions to achieve the final emergence of intelligence. Most recent studies focused on solving certain real problems by artificial life methods, yet without much address on the AL life basic mechanism. The real problems are often very complicated, and the proposed methods sometimes seem too simple to handle those problems. This study proposed a new approach in AL research, named "generalized artificial life structure(GALS)", in which the traditional "gene bits" in genetic algorithms is first replaced by "gene parameters", which could appear anywhere in GALS. A modeling procedure is taken to normalize the input data, and AL "tissue" is innovated to make AL more complex. GALS is anticipated to contribute significantly to the fitness of AL evolution. The formation of"tissue" begins with some different AL basic cells, and then tissue is produced by the casual selections of one or several of these cells. As a result, the gene parameters, represented by "tissues", could become highly diversified. This diversification should have obvious effects on improving gene fitness. This study took the innovative method of GALS in a stock forecasting problem under a carefully designed manipulating platform. And the researching results verify that the GALS is successful in improving the gene evolution fitness.

  4. Effects of fast neutrons on chromatin: dependence on chromatin structure

    International Nuclear Information System (INIS)

    Radu, L.; Constantinescu, B.; Gazdaru, D.

    2002-01-01

    The effects of fast neutrons (10-100 Gy) on chromatin extracted from normal (liver of Wistar rats) and tumor (Walker carcinosarcoma maintained on Wistar rats) tissues were compared. The spectroscopic assays used were (i) chromatin intrinsic fluorescence, (ii) time-resolved fluorescence of chromatin-proflavine complexes, and (iii) fluorescence resonance energy transfer (FRET) between dansyl chloride and acridine orange coupled to chromatin. For both normal and tumor chromatin, the intensity of intrinsic fluorescence specific for acidic and basic proteins decreased with increasing dose. The relative contributions of the excited-state lifetime of proflavine bound to chromatin were reduced upon fast-neutron irradiation, indicating a decrease in the proportion of chromatin DNA available for ligand binding. The Forster energy transfer efficiencies were also modified by irradiation. These effects were larger for chromatin from tumor tissue. In the range 0-100 Gy, fast neutrons induced alterations in DNA and acidic and basic proteins, as well as in global chromatin structure. The radiosensitivity of chromatin extracted from tumor tissue seems to be higher than that of chromatin extracted from normal tissue, probably because of its higher euchromatin (loose)-heterochromatin (compact) ratio. (author)

  5. [Dependency structure of the elderly: an examination of women's social position in Taiwan].

    Science.gov (United States)

    Hu Y-h

    1996-04-01

    "The purpose of the paper is to examine the nature and the structure of elderly women's dependency [in Taiwan] and the underlying socio-cultural-political forces. From the social constructive perspective, we focused on three constructive forces--the Chinese patriarchal/patrilocal family system, the gender role, and the state policy on elderly welfare. Three types of dependency--economic dependency, dependency for personal and health care, and living arrangement--were examined." (SUMMARY IN ENG) excerpt

  6. Market Structure, Financial Dependence and Industrial Growth: Evidence from the Banking Industry in Emerging Asian Economies

    Science.gov (United States)

    Khan, Habib Hussain; Ahmad, Rubi Binit; Gee, Chan Sok

    2016-01-01

    In this study, we examine the role of market structure for growth in financially dependent industries from 10 emerging Asian economies over the period of 1995–2011. Our approach departs from existing studies in that we apply four alternative measures of market structure based on structural and non-structural approaches and compare their outcomes. Results indicate that higher bank concentration may slow down the growth of financially dependent industries. Bank competition on the other hand, allows financially dependent industries to grow faster. These findings are consistent across a number of sensitivity checks such as alternative measures of financial dependence, institutional factors (including property rights, quality of accounting standards and bank ownership), and endogeneity consideration. In sum, our study suggests that financially dependent industries grow more in more competitive/less concentrated banking systems. Therefore, regulatory authorities need to be careful while pursuing a consolidation policy for banking sector in emerging Asian economies. PMID:27490847

  7. Market Structure, Financial Dependence and Industrial Growth: Evidence from the Banking Industry in Emerging Asian Economies.

    Science.gov (United States)

    Khan, Habib Hussain; Ahmad, Rubi Binit; Gee, Chan Sok

    2016-01-01

    In this study, we examine the role of market structure for growth in financially dependent industries from 10 emerging Asian economies over the period of 1995-2011. Our approach departs from existing studies in that we apply four alternative measures of market structure based on structural and non-structural approaches and compare their outcomes. Results indicate that higher bank concentration may slow down the growth of financially dependent industries. Bank competition on the other hand, allows financially dependent industries to grow faster. These findings are consistent across a number of sensitivity checks such as alternative measures of financial dependence, institutional factors (including property rights, quality of accounting standards and bank ownership), and endogeneity consideration. In sum, our study suggests that financially dependent industries grow more in more competitive/less concentrated banking systems. Therefore, regulatory authorities need to be careful while pursuing a consolidation policy for banking sector in emerging Asian economies.

  8. Market Structure, Financial Dependence and Industrial Growth: Evidence from the Banking Industry in Emerging Asian Economies.

    Directory of Open Access Journals (Sweden)

    Habib Hussain Khan

    Full Text Available In this study, we examine the role of market structure for growth in financially dependent industries from 10 emerging Asian economies over the period of 1995-2011. Our approach departs from existing studies in that we apply four alternative measures of market structure based on structural and non-structural approaches and compare their outcomes. Results indicate that higher bank concentration may slow down the growth of financially dependent industries. Bank competition on the other hand, allows financially dependent industries to grow faster. These findings are consistent across a number of sensitivity checks such as alternative measures of financial dependence, institutional factors (including property rights, quality of accounting standards and bank ownership, and endogeneity consideration. In sum, our study suggests that financially dependent industries grow more in more competitive/less concentrated banking systems. Therefore, regulatory authorities need to be careful while pursuing a consolidation policy for banking sector in emerging Asian economies.

  9. Quantum theory of the electronic and optical properties of low-dimensional semiconductor systems

    Science.gov (United States)

    Lau, Wayne Heung

    This thesis examines the electronic and optical properties of low-dimensional semiconductor systems. A theory is developed to study the electron-hole generation-recombination process of type-II semimetallic semiconductor heterojunctions based on a 3 x 3 k·p matrix Hamiltonian (three-band model) and an 8 x 8 k·p matrix Hamiltonian (eight-band model). A novel electron-hole generation and recombination process, which is called activationless generation-recombination process, is predicted. It is demonstrated that the current through the type-II semimetallic semiconductor heterojunctions is governed by the activationless electron-hole generation-recombination process at the heterointerfaces, and that the current-voltage characteristics are essentially linear. A qualitative agreement between theory and experiments is observed. The numerical results of the eight-band model are compared with those of the threeband model. Based on a lattice gas model, a theory is developed to study the influence of a random potential on the ionization equilibrium conditions for bound electron-hole pairs (excitons) in III--V semiconductor heterostructures. It is demonstrated that ionization equilibrium conditions for bound electron-hole pairs change drastically in the presence of strong disorder. It is predicted that strong disorder promotes dissociation of excitons in III--V semiconductor heterostructures. A theory of polariton (photon dressed by phonon) spontaneous emission in a III--V semiconductor doped with semiconductor quantum dots (QDs) or quantum wells (QWs) is developed. For the first time, superradiant and subradiant polariton spontaneous emission phenomena in a polariton-QD (QW) coupled system are predicted when the resonance energies of the two identical QDs (QWs) lie outside the polaritonic energy gap. It is also predicted that when the resonance energies of the two identical QDs (QWs) lie inside the polaritonic energy gap, spontaneous emission of polariton in the polariton

  10. Semiquantum molecular dynamics simulation of thermal properties and heat transport in low-dimensional nanostructures

    Science.gov (United States)

    Savin, Alexander V.; Kosevich, Yuriy A.; Cantarero, Andres

    2012-08-01

    We present a detailed description of semiquantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian equations of motion in which the effects of phonon quantum statistics are introduced through random Langevin-like forces with a specific power spectral density (the color noise). The color noise describes the interaction of the molecular system with the thermostat. We apply this technique to the simulation of thermal properties and heat transport in different low-dimensional nanostructures. We describe the determination of temperature in quantum lattice systems, to which the equipartition limit is not applied. We show that one can determine the temperature of such a system from the measured power spectrum and temperature- and relaxation-rate-independent density of vibrational (phonon) states. We simulate the specific heat and heat transport in carbon nanotubes, as well as the heat transport in molecular nanoribbons with perfect (atomically smooth) and rough (porous) edges, and in nanoribbons with strongly anharmonic periodic interatomic potentials. We show that the effects of quantum statistics of phonons are essential for the carbon nanotube in the whole temperature range T<500K, in which the values of the specific heat and thermal conductivity of the nanotube are considerably less than that obtained within the description based on classical statistics of phonons. This conclusion is also applicable to other carbon-based materials and systems with high Debye temperature like graphene, graphene nanoribbons, fullerene, diamond, diamond nanowires, etc. We show that the existence of rough edges and quantum statistics of phonons change drastically the low-temperature thermal conductivity of the nanoribbon in comparison with that of the nanoribbon with perfect edges and classical phonon dynamics and statistics. The semiquantum molecular

  11. From point process observations to collective neural dynamics: Nonlinear Hawkes process GLMs, low-dimensional dynamics and coarse graining.

    Science.gov (United States)

    Truccolo, Wilson

    2016-11-01

    This review presents a perspective on capturing collective dynamics in recorded neuronal ensembles based on multivariate point process models, inference of low-dimensional dynamics and coarse graining of spatiotemporal measurements. A general probabilistic framework for continuous time point processes reviewed, with an emphasis on multivariate nonlinear Hawkes processes with exogenous inputs. A point process generalized linear model (PP-GLM) framework for the estimation of discrete time multivariate nonlinear Hawkes processes is described. The approach is illustrated with the modeling of collective dynamics in neocortical neuronal ensembles recorded in human and non-human primates, and prediction of single-neuron spiking. A complementary approach to capture collective dynamics based on low-dimensional dynamics ("order parameters") inferred via latent state-space models with point process observations is presented. The approach is illustrated by inferring and decoding low-dimensional dynamics in primate motor cortex during naturalistic reach and grasp movements. Finally, we briefly review hypothesis tests based on conditional inference and spatiotemporal coarse graining for assessing collective dynamics in recorded neuronal ensembles. Published by Elsevier Ltd.

  12. Measurement of the spin dependent structure functions of proton and neutron

    International Nuclear Information System (INIS)

    Rith, K.

    1989-01-01

    Recent results from the EMC experiment on the spin dependent structure function g 1 p (x) of the proton are discussed. They suggest that the nucleon spin does not originate from quark spins but rather from angular orbital momentum and gluon contributions. A proposed experiment at HERA is presented which will allow a very accurate measurement of the spin dependent structure functions and their integrals of both proton and neutron and a precise test of the Bjorken sum rule. (orig.)

  13. Effects of alcohol intake on brain structure and function in non-alcohol-dependent drinkers

    OpenAIRE

    Bruin, Eveline Astrid de

    2005-01-01

    About 85% of the adult population in the Netherlands regularly drinks alcohol. Chronic excessive alcohol intake in alcohol-dependent individuals is known to have damaging effects on brain structure and function. Relatives of alcohol-dependent individuals display differences in brain function that are similar to those found in alcoholics, even if they have never been drinking alcohol. This suggests that brain damage in alcohol-dependent individuals is at least partly related to genetic factors...

  14. Effects of alcohol intake on brain structure and function in non-alcohol-dependent drinkers

    NARCIS (Netherlands)

    Bruin, Eveline Astrid de

    2005-01-01

    About 85% of the adult population in the Netherlands regularly drinks alcohol. Chronic excessive alcohol intake in alcohol-dependent individuals is known to have damaging effects on brain structure and function. Relatives of alcohol-dependent individuals display differences in brain function that

  15. Potential dependence of surface crystal structure of iron passive films in borate buffer solution

    International Nuclear Information System (INIS)

    Deng, Huihua; Nanjo, Hiroshi; Qian, Pu; Santosa, Arifin; Ishikawa, Ikuo; Kurata, Yoshiaki

    2007-01-01

    The effect of passivation potential on surface crystal structure, apparent thickness and passivity of oxide films formed on pure iron prepared by plasma sputter deposition was investigated. The crystallinity was improved with passivation potential and the width of atomically flat terraces was expanded to 6 nm when passivating at 750 mV for 15 min, as observed by ex situ scanning tunneling microscopy (STM) after aging in air (<30% RH). Apparent thickness and passivity are linearly dependent on passivation potential. The former weakly depends on passivation duration, the latter strongly depends on passivation duration. This is well explained by the correlation between crystal structure and passivity

  16. Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

    Energy Technology Data Exchange (ETDEWEB)

    Oxley, M. P.; Kapetanakis, M. D.; Prange, Micah P.; Varela, M.; Pennycook, Stephen J.; Pantelides, Sokrates T.

    2014-03-31

    We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

  17. Low dimensional magnetism and nanograined materials - magnetometry, magnetooptics and laser-ultrasound

    International Nuclear Information System (INIS)

    Krenn, H.; Paltauf, G.; Rumpf, K.; Granitzer, P.; Kozhushko, V.; Nadeem, K.; Hofmayer, M.

    2008-01-01

    Full text: The working group 'Magnetometry and Photonics' headed by H. Krenn has directed its research focus on magnetic phenomena and properties of nanoscaled materials which are random or self assembled (principal investigators: K. Rumpf and P. Granitzer). Another activity is concerned with optoacoustics investigating the propagation and damping of ultrasound waves in non-magnetic (severely deformed) as well as bulk-nanostructured magnetic materials (principal investigators: G. Paltauf and V. Kozhusko). The gap between self assembled (1-dim) and randomly dense (bulk 3-dim) nanomagnets is bridged by preparation of ferrite-(0-dim) nanoparticles (PhD: K. Nadeem) dispersed in a SiO 2 or polymer matrix. As a template for magnetic nanowires and nanodots porous silicon is prepared by electrochemical methods. Remarkable magnetic effects beyond conventional spin-magnetism are experimentally observed by SQUID-magnetometry at high magnetic fields (7 T) and by spectroscopic magnetooptics from the infrared to VIS. The main purposes and aims of this hybrid system are experimental efforts to detect the spin injection and electronic transport from a ferromagnetic metal into silicon, and the possible development of direction dependent magnetic-field-sensors due to the strong magnetic anisotropy of the nanocomposite at high magnetic fields (> 2 T). By co-precipitation and sol-gel methods (Ni,Co)Fe 2 O 4 superparamagnetic ferrite nanoparticles (d < 20 nm) are produced. Both systems have a potential for drug delivery using magnetic carriers, but also for magnetic targeting of tumors where the former Si-based system is promising because of the biodegradability and biocompatibility of porous silicon. On the other hand steel samples offer nanoscopic grain refinement under severe plastic deformation and highly deformed magnetic materials show a softening of the magnetization, reflected in modified Barkhausen noise spectrum and ultrasound (magnetoacoustic) phenomena. Electric tunability

  18. Optimized expression and purification of NavAb provide the structural insight into the voltage dependence.

    Science.gov (United States)

    Irie, Katsumasa; Haga, Yukari; Shimomura, Takushi; Fujiyoshi, Yoshinori

    2018-01-01

    Voltage-gated sodium channels are crucial for electro-signalling in living systems. Analysis of the molecular mechanism requires both fine electrophysiological evaluation and high-resolution channel structures. Here, we optimized a dual expression system of NavAb, which is a well-established standard of prokaryotic voltage-gated sodium channels, for E. coli and insect cells using a single plasmid vector to analyse high-resolution protein structures and measure large ionic currents. Using this expression system, we evaluated the voltage dependence and determined the crystal structures of NavAb wild-type and two mutants, E32Q and N49K, whose voltage dependence were positively shifted and essential interactions were lost in voltage sensor domain. The structural and functional comparison elucidated the molecular mechanisms of the voltage dependence of prokaryotic voltage-gated sodium channels. © 2017 Federation of European Biochemical Societies.

  19. Transport Phenomena in Nanowires, Nanotubes, and Other Low-Dimensional Systems

    KAUST Repository

    Montes Muñ oz, Enrique

    2017-01-01

    and their dependence on the nanowire growth direction, diameter, and length. At equilibrium Au-nanowire distance we find strong electronic coupling between electrodes and nanowire, resulting in low contact resistance. For the tunneling regime, the decay

  20. Transport Phenomena in Nanowires, Nanotubes, and Other Low-Dimensional Systems

    KAUST Repository

    Montes, Enrique

    2017-01-01

    Nanoscale materials are not new in either nature or physics. However, the recent technological improvements have given scientists new tools to understand and quantify phenomena that occur naturally due to quantum confinement effects. In general, these phenomena induce remarkable optical, magnetic, and electronic properties in nanoscale materials in contrast to their bulk counterpart. In addition, scientists have recently developed the necessary tools to control and exploit these properties in electronic devices, in particular field effect transistors, magnetic memories, and gas sensors. In the present thesis we implement theoretical and computational tools for analyzing the ground state and electronic transport properties of nanoscale materials and their performance in electronic devices. The ground state properties are studied within density functional theory using the SIESTA code, whereas the transport properties are investigated using the non-equilibrium Green\\'s functions formalism implemented in the SMEAGOL code. First we study Si-based systems, as Si nanowires are believed to be important building blocks of the next generation of electronic devices. We derive the electron transport properties of Si nanowires connected to Au electrodes and their dependence on the nanowire growth direction, diameter, and length. At equilibrium Au-nanowire distance we find strong electronic coupling between electrodes and nanowire, resulting in low contact resistance. For the tunneling regime, the decay of the conductance with the nanowire length is rationalized using the complex band structure. The nanowires grown along the (110) direction show the smallest decay and the largest conductance and current. Due to the high spin coherence in Si, Si nanowires represent an interesting platform for spin devices. Therefore, we built a magnetic tunneling junction by connecting a (110) Si nanowire to ferromagnetic Fe electrodes. We have find a substantial low bias magnetoresistance of

  1. Temperature-dependent structural relaxation in As{sub 40}Se{sub 60} glass

    Energy Technology Data Exchange (ETDEWEB)

    Golovchak, R., E-mail: roman_ya@yahoo.com [Lviv Sci. and Res. Institute of Materials of SRC ' Carat' , 202 Stryjska str., 79031 Lviv (Ukraine); Kozdras, A. [Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Academy of Management and Administration, 18 Niedzialkowski str., Opole, PL-45085 (Poland); Shpotyuk, O. [Jan Dlugosz University, 13/15, al. Armii Krajowej, 42201, Czestochowa (Poland); Gorecki, Cz. [Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Kovalskiy, A.; Jain, H. [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States)

    2011-08-01

    The origin of structural relaxation in As{sub 40}Se{sub 60} glass at different annealing temperatures is studied by differential scanning calorimetry (DSC) and in situ extended X-ray absorption fine structure (EXAFS) methods. Strong physical aging effect, expressed through the increase of endothermic peak area in the vicinity of T{sub g}, is recorded by DSC technique at the annealing temperatures T{sub a}>90{sup o}C. EXAFS data show that the observed structural relaxation is not associated with significant changes in the short-range order of this glass. An explanation is proposed for this relaxation behavior assuming temperature-dependent constraints. -- Highlights: → In this study we report experimental evidence for temperature-dependent constraints theory. → Structural relaxation of As{sub 2}Se{sub 3} glass at higher annealing temperatures is studied by DSC technique. → Accompanied changes in the structure are monitored by in situ EXAFS measurements.

  2. NMR structure of the glucose-dependent insulinotropic polypeptide fragment, GIP(1-30)amide

    International Nuclear Information System (INIS)

    Alana, Inigo; Hewage, Chandralal M.; G. Malthouse, J. Paul; Parker, Jeremy C.; Gault, Victor A.; O'Harte, Finbarr P.M.

    2004-01-01

    Glucose-dependent insulinotropic polypeptide is an incretin hormone that stimulates insulin secretion and reduces postprandial glycaemic excursions. The glucose-dependent action of GIP on pancreatic β-cells has attracted attention towards its exploitation as a potential drug for type 2 diabetes. Use of NMR or X-ray crystallography is vital to determine the three-dimensional structure of the peptide. Therefore, to understand the basic structural requirements for the biological activity of GIP, the solution structure of the major biologically active fragment, GIP(1-30)amide, was investigated by proton NMR spectroscopy and molecular modelling. The structure is characterised by a full length α-helical conformation between residues F 6 and A 28 . This structural information could play an important role in the design of therapeutic agents based upon GIP receptor agonists

  3. Testing for long-range dependence in the Brazilian term structure of interest rates

    International Nuclear Information System (INIS)

    Cajueiro, Daniel O.; Tabak, Benjamin M.

    2009-01-01

    This paper presents empirical evidence of fractional dynamics in interest rates for different maturities for Brazil. A variation of a newly developed test for long-range dependence, the V/S statistic, with a post-blackening bootstrap is employed. Results suggest that Brazilian interest rates possess strong long-range dependence in volatility, even when considering the structural break in 1999. These findings imply that the development of policy models that give rise to long-range dependence in interest rates' volatility could be very useful. The long-short-term interest rates spread has strong long-range dependence, which suggests that traditional tests of expectation hypothesis of the term structure of interest rates may be misspecified.

  4. Numerical Investigation of Structural Response of Corrugated Blast Wall Depending on Blast Load Pulse Shapes

    Directory of Open Access Journals (Sweden)

    Jung Min Sohn

    Full Text Available Abstract Hydrocarbon explosions are one of most hazardous events for workers on offshore platforms. To protect structures against explosion loads, corrugated blast walls are typically installed. However, the profiles of real explosion loads are quite different depending on the congestion and confinement of Topside structures. As the level of congestion and confinement increases, the explosion load increases by up to 8 bar, and the rising time of the load decreases. This study primarily aims to investigate the structural behavior characteristics of corrugated blast walls under different types of explosion loadings. Four loading shapes were applied in the structural response analysis, which utilized a dynamic nonlinear finite element method.

  5. Control of the wavelength dependent thermo-optic coefficients in structured fibres

    DEFF Research Database (Denmark)

    Sørensen, Henrik Rokkjær; Canning, J.; Lægsgaard, Jesper

    2006-01-01

    By controlling the fibre geometry, the fraction of optical field within the holes and the inserted material of a photonic crystal fibre, we demonstrate that it is possible to engineer any arbitrary wavelength-dependent thermo-optic coefficient. The possibility of making a fibre with a zero temper...... temperature dependent thermo-optic coefficient, ideal for packaging of structured fibre gratings, is proposed and explored....

  6. A temperature-dependent theory for HeII: Application to the liquid structure factor

    International Nuclear Information System (INIS)

    Chela-Flores, J.; Ghassib, H.B.

    1981-08-01

    A temperature-dependent theory is presented for HeII, which is based on both a gauge-theoretic formulation as well as a mean-field (Hartree) approach. A simple model calculation is then performed within this framework for the liquid structure factor of the system. In particular, explicit expressions are obtained for the low-momentum-transfer and low-temperature limits, which seem to conform with the available experimental data. Further, the curvature of the structure factor is predicted, under these circumstances, to be only mildly dependent on temperature. Throughout, we compare and contrast with other theoretical attempts, including Feynman's. (author)

  7. Personality Assessment Inventory scale characteristics and factor structure in the assessment of alcohol dependency.

    Science.gov (United States)

    Schinka, J A

    1995-02-01

    Individual scale characteristics and the inventory structure of the Personality Assessment Inventory (PAI; Morey, 1991) were examined by conducting internal consistency and factor analyses of item and scale score data from a large group (N = 301) of alcohol-dependent patients. Alpha coefficients, mean inter-item correlations, and corrected item-total scale correlations for the sample paralleled values reported by Morey for a large clinical sample. Minor differences in the scale factor structure of the inventory from Morey's clinical sample were found. Overall, the findings support the use of the PAI in the assessment of personality and psychopathology of alcohol-dependent patients.

  8. Importance of Lorentz structure in the parton model: Target mass corrections, transverse momentum dependence, positivity bounds

    International Nuclear Information System (INIS)

    D'Alesio, U.; Leader, E.; Murgia, F.

    2010-01-01

    We show that respecting the underlying Lorentz structure in the parton model has very strong consequences. Failure to insist on the correct Lorentz covariance is responsible for the existence of contradictory results in the literature for the polarized structure function g 2 (x), whereas with the correct imposition we are able to derive the Wandzura-Wilczek relation for g 2 (x) and the target-mass corrections for polarized deep inelastic scattering without recourse to the operator product expansion. We comment briefly on the problem of threshold behavior in the presence of target-mass corrections. Careful attention to the Lorentz structure has also profound implications for the structure of the transverse momentum dependent parton densities often used in parton model treatments of hadron production, allowing the k T dependence to be derived explicitly. It also leads to stronger positivity and Soffer-type bounds than usually utilized for the collinear densities.

  9. Prosthetic avian vocal organ controlled by a freely behaving bird based on a low dimensional model of the biomechanical periphery.

    Directory of Open Access Journals (Sweden)

    Ezequiel M Arneodo

    Full Text Available Because of the parallels found with human language production and acquisition, birdsong is an ideal animal model to study general mechanisms underlying complex, learned motor behavior. The rich and diverse vocalizations of songbirds emerge as a result of the interaction between a pattern generator in the brain and a highly nontrivial nonlinear periphery. Much of the complexity of this vocal behavior has been understood by studying the physics of the avian vocal organ, particularly the syrinx. A mathematical model describing the complex periphery as a nonlinear dynamical system leads to the conclusion that nontrivial behavior emerges even when the organ is commanded by simple motor instructions: smooth paths in a low dimensional parameter space. An analysis of the model provides insight into which parameters are responsible for generating a rich variety of diverse vocalizations, and what the physiological meaning of these parameters is. By recording the physiological motor instructions elicited by a spontaneously singing muted bird and computing the model on a Digital Signal Processor in real-time, we produce realistic synthetic vocalizations that replace the bird's own auditory feedback. In this way, we build a bio-prosthetic avian vocal organ driven by a freely behaving bird via its physiologically coded motor commands. Since it is based on a low-dimensional nonlinear mathematical model of the peripheral effector, the emulation of the motor behavior requires light computation, in such a way that our bio-prosthetic device can be implemented on a portable platform.

  10. A stretch-tunable plasmonic structure with a polarization-dependent response

    DEFF Research Database (Denmark)

    Zhu, Xiaolong; Xiao, Sanshui; Shi, Lei

    2012-01-01

    Bragg-type surface plasmon resonances whose frequencies are sensitive to the arrangement of the metallic semishells. Under uniaxial stretching, the lattice symmetry of this plasmonic structure can be reconfigured from hexagonal to monoclinic, leading to resonance frequency shifts from 200 THz to 191 THz......-dependent response at the standard telecommunication band, and such tunable plasmonic structure might be exploited in realizing photonic devices such as sensors, switches and filters....

  11. Optical study on the dependence of breast tissue composition and structure on subject anamnesis

    Science.gov (United States)

    Taroni, Paola; Quarto, Giovanna; Pifferi, Antonio; Abbate, Francesca; Balestreri, Nicola; Menna, Simona; Cassano, Enrico; Cubeddu, Rinaldo

    2015-07-01

    Time domain multi-wavelength (635 to 1060 nm) optical mammography was performed on 200 subjects to estimate their average breast tissue composition in terms of oxy- and deoxy-hemoglobin, water, lipid and collagen, and structural information, as provided by scattering parameters (amplitude and power). Significant (and often marked) dependence of tissue composition and structure on age, menopausal status, body mass index, and use of oral contraceptives was demonstrated.

  12. Light-matter interaction in low-dimensional materials. A theoretical study

    DEFF Research Database (Denmark)

    Gjerding, Morten Niklas

    , not sufficiently large to completely eliminate optical losses. We therefore propose a new class of layered materials with the chemical formula 2H-MXY where M is a group 4 transition metal atom, X is a chalcogen atom, and Y is a halogen atom (Cl, Br, I) which increases the size of the energy gaps and significantly...... reflected by a sign-difference in their dielectric tensor resulting in hyperbolic isofrequency contours. Hyperbolic metamaterials obtain their anisotropic response from an artificial sub-wavelength structuring and are limited in their performance by the period of the structuring - the smaller, the better...

  13. Loading mode dependent effective properties of octet-truss lattice structures using 3D-printing

    Science.gov (United States)

    Challapalli, Adithya

    Cellular materials, often called lattice materials, are increasingly receiving attention for their ultralight structures with high specific strength, excellent impact absorption, acoustic insulation, heat dissipation media and compact heat exchangers. In alignment with emerging additive manufacturing (AM) technology, realization of the structural applications of the lattice materials appears to be becoming faster. Considering the direction dependent material properties of the products with AM, by directionally dependent printing resolution, effective moduli of lattice structures appear to be directionally dependent. In this paper, a constitutive model of a lattice structure, which is an octet-truss with a base material having an orthotropic material property considering AM is developed. In a case study, polyjet based 3D printing material having an orthotropic property with a 9% difference in the principal direction provides difference in the axial and shear moduli in the octet-truss by 2.3 and 4.6%. Experimental validation for the effective properties of a 3D printed octet-truss is done for uniaxial tension and compression test. The theoretical value based on the micro-buckling of truss member are used to estimate the failure strength. Modulus value appears a little overestimate compared with the experiment. Finite element (FE) simulations for uniaxial compression and tension of octettruss lattice materials are conducted. New effective properties for the octet-truss lattice structure are developed considering the observed behavior of the octet-truss structure under macroscopic compression and tension trough simulations.

  14. Pressure dependence of the interfacial structure of potassium chloride films on iron

    International Nuclear Information System (INIS)

    Olson, Dustin; Gao, Hongyu; Tang, Chun; Tysoe, Wilfred T.; Martini, Ashlie

    2015-01-01

    Potassium chloride films on a clean iron surface are used as a model system to explore the interfacial structure of the films and the dependence of that structure on film thickness and pressure. The interfacial structure of one-, two-, three- and four-layer films is measured experimentally using low-energy electron diffraction. Those findings are then complemented by molecular dynamics simulations in which the atomic interaction between the film and substrate is tuned to match film thickness-dependent sublimation activation energy obtained from temperature-programmed desorption measurements. The resultant simulation reliably predicts the structure of thicker films and is then used to study the effect of pressure on the distribution of the lattice constant within and between each layer of the potassium chloride films. Findings indicate that both film thickness and pressure affect the structure within the films as well as the degree of registry between the film and adjacent substrate. - Highlights: • KCl films on an Fe surface are used as a model system to explore interfacial structure • Thin film structure is measured using low-energy electron diffraction • An empirical potential is tuned to match sublimation activation energy • Simulations reveal the effect of pressure on the lattice constant within the KCl films • Pressure affects the film structure and registry between film and substrate

  15. Pressure dependence of the interfacial structure of potassium chloride films on iron

    Energy Technology Data Exchange (ETDEWEB)

    Olson, Dustin [Department of Chemistry and Laboratory for Surface Studies, University of Wisconsin—Milwaukee, Milwaukee, WI 53211 (United States); Gao, Hongyu; Tang, Chun [School of Engineering, University of California Merced, Merced CA 95343 (United States); Tysoe, Wilfred T. [Department of Chemistry and Laboratory for Surface Studies, University of Wisconsin—Milwaukee, Milwaukee, WI 53211 (United States); Martini, Ashlie [School of Engineering, University of California Merced, Merced CA 95343 (United States)

    2015-10-30

    Potassium chloride films on a clean iron surface are used as a model system to explore the interfacial structure of the films and the dependence of that structure on film thickness and pressure. The interfacial structure of one-, two-, three- and four-layer films is measured experimentally using low-energy electron diffraction. Those findings are then complemented by molecular dynamics simulations in which the atomic interaction between the film and substrate is tuned to match film thickness-dependent sublimation activation energy obtained from temperature-programmed desorption measurements. The resultant simulation reliably predicts the structure of thicker films and is then used to study the effect of pressure on the distribution of the lattice constant within and between each layer of the potassium chloride films. Findings indicate that both film thickness and pressure affect the structure within the films as well as the degree of registry between the film and adjacent substrate. - Highlights: • KCl films on an Fe surface are used as a model system to explore interfacial structure • Thin film structure is measured using low-energy electron diffraction • An empirical potential is tuned to match sublimation activation energy • Simulations reveal the effect of pressure on the lattice constant within the KCl films • Pressure affects the film structure and registry between film and substrate.

  16. Fermi surface studies of low-dimensional organic conductors based on BEDT-TTF

    International Nuclear Information System (INIS)

    Singleton, John; Caulfield, Jason; Hill, Stephen; Blundell, Stephen; Lubczynski, Wieslaw; House, Andrew; Hayes, William; Perenboom, Jos; Kurmoo, Mohammedally; Day, Peter

    1995-01-01

    This paper provides an introduction to charge-transfer salts of the ion bis(ethylenedithio)tetrathiafulvalene (ET) and their band-structure, and reviews some recent experiments on the salts involving high magnetic fields carried out by the Oxford group and coworkers. (orig.)

  17. Transformers: the changing phases of low-dimensional vanadium oxide bronzes.

    Science.gov (United States)

    Marley, Peter M; Horrocks, Gregory A; Pelcher, Kate E; Banerjee, Sarbajit

    2015-03-28

    In this feature article, we explore the electronic and structural phase transformations of ternary vanadium oxides with the composition MxV2O5 where M is an intercalated cation. The periodic arrays of intercalated cations ordered along quasi-1D tunnels or layered between 2D sheets of the V2O5 framework induce partial reduction of the framework vanadium atoms giving rise to charge ordering patterns that are specific to the metal M and stoichiometry x. This periodic charge ordering makes these materials remarkably versatile platforms for studying electron correlation and underpins the manifestation of phenomena such as colossal metal-insulator transitions, quantized charge corrals, and superconductivity. We describe current mechanistic understanding of these emergent phenomena with a particular emphasis on the benefits derived from scaling these materials to nanostructured dimensions wherein precise ordering of cations can be obtained and phase relationships can be derived that are entirely inaccessible in the bulk. In particular, structural transformations induced by intercalation are dramatically accelerated due to the shorter diffusion path lengths at nanometer-sized dimensions, which cause a dramatic reduction of kinetic barriers to phase transformations and facilitate interconversion between the different frameworks. We conclude by summarizing numerous technological applications that have become feasible due to recent advances in controlling the structural chemistry and both electronic and structural phase transitions in these versatile frameworks.

  18. Modeling dependence structure between stock market volatility and sukuk yields: A nonlinear study in the case of Saudi Arabia

    Directory of Open Access Journals (Sweden)

    Nader Naifar

    2016-09-01

    Full Text Available The aim of this paper is to investigate the dependence structure between sukuk (Islamic bonds yields and stock market (returns and volatility in the case of Saudi Arabia. We consider three Archimedean copula models with different tail dependence structures namely Gumbel, Clayton, and Frank. This study shows that the sukuk yields exhibit significant dependence only with stock market volatility. In addition, the dependence structure between sukuk yields and stock market volatility are symmetric and linked with the same intensity.

  19. Simulations of the low-dimensional molecular-based spin systems: dodecanuclear nickel ring

    International Nuclear Information System (INIS)

    Kamieniarz, G.; Haglauer, M.; Caramico D'Auria, A.; Esposito, F.; Gatteschi, D.

    2005-01-01

    The numerical exact diagonalization technique exploiting the point-group symmetry is worked out for the anisotropic Heisenberg spin Hamiltonian with the ring geometry. It is applied in large-scale simulations to the supramolecule Ni 12 (O 2 CMe) 12 (chp) 12 (H 2 O) 6 (THF) 6 , yielding the low-level energy spectra as a function of the single-ion anisotropy D and the thermodynamic functions. The strength of the constant D is analysed and estimated at D/k B =1.5K. The results for the zero-field susceptibility and the field-dependent magnetization are presented and compared with experimental data

  20. Computer simulation of phase separation and ordering processes in low-dimensional systems

    DEFF Research Database (Denmark)

    Mouritsen, O.G.; Shah, P.J.; Vitting Andersen, J.

    1991-01-01

    An account is given of recent activity in the field of dynamics of phase separation and ordering processes in two-dimensional statistical mechanical models. The fundamental questions of the dynamics involve the form of the growth law, the value of the growth exponent, the dynamical scaling...... properties, and a possible universal classification of the late-stage dynamics. Evidence from kinetic lattice model calculations using computer-simulation techniques is presented in favor of a universal description of the dynamics in terms of algebraic growth laws with exponents which only depend...

  1. Control of polarization and dipole moment in low-dimensional semiconductor nanostructures

    International Nuclear Information System (INIS)

    Li, L. H.; Ridha, P.; Mexis, M.; Smowton, P. M.; Blood, P.; Bozkurt, M.; Koenraad, P. M.; Patriarche, G.; Fiore, A.

    2009-01-01

    We demonstrate the control of polarization and dipole moment in semiconductor nanostructures, through nanoscale engineering of shape and composition. Rodlike nanostructures, elongated along the growth direction, are obtained by molecular beam epitaxial growth. By varying the aspect ratio and compositional contrast between the rod and the surrounding matrix, we rotate the polarization of the dominant interband transition from transverse-electric to transverse-magnetic, and modify the dipole moment producing a radical change in the voltage dependence of absorption spectra. This opens the way to the optimization of quantum dot amplifiers and electro-optical modulators.

  2. The enzymes of biotin dependent CO2 metabolism: What structures reveal about their reaction mechanisms

    Science.gov (United States)

    Waldrop, Grover L; Holden, Hazel M; Maurice, Martin St

    2012-01-01

    Biotin is the major cofactor involved in carbon dioxide metabolism. Indeed, biotin-dependent enzymes are ubiquitous in nature and are involved in a myriad of metabolic processes including fatty acid synthesis and gluconeogenesis. The cofactor, itself, is composed of a ureido ring, a tetrahydrothiophene ring, and a valeric acid side chain. It is the ureido ring that functions as the CO2 carrier. A complete understanding of biotin-dependent enzymes is critically important for translational research in light of the fact that some of these enzymes serve as targets for anti-obesity agents, antibiotics, and herbicides. Prior to 1990, however, there was a dearth of information regarding the molecular architectures of biotin-dependent enzymes. In recent years there has been an explosion in the number of three-dimensional structures reported for these proteins. Here we review our current understanding of the structures and functions of biotin-dependent enzymes. In addition, we provide a critical analysis of what these structures have and have not revealed about biotin-dependent catalysis. PMID:22969052

  3. No evidence for general condition-dependence of structural plumage colour in blue tits: an experiment

    NARCIS (Netherlands)

    Peters, A.; Kurvers, R.H.J.M.; Roberts, M.L.; Delhey, K.

    2011-01-01

    Condition-dependence is a central but contentious tenet of evolutionary theories on the maintenance of ornamental traits, and this is particularly true for structural plumage colour. By providing diets of different nutritional quality to moulting male and female blue tits, we experimentally

  4. Yeast beta-alanine synthase shares a structural scaffold and origin with dizinc-dependent exopeptidases

    DEFF Research Database (Denmark)

    Lundgren, S.; Gojkovic, Zoran; Piskur, Jure

    2003-01-01

    of the intersubunit contacts. Both domains exhibit a mixed alpha/beta-topology. Surprisingly, the observed high structural homology to a family of dizinc-dependent exopeptidases suggests that these two enzyme groups have a common origin. Alterations in the ligand composition of the metal-binding site can be explained...

  5. Nanoscale spin-dependent transport of electrons and holes in Si-ferromagnet structures

    NARCIS (Netherlands)

    Ul Haq, E.

    Given the rapid development of magnetic data storage and spin-electronics into the realm of nanotechnology, the understanding of the spin-dependent electronic transport and switching behavior of magnetic structures at the nanoscale is an important issue. We have developed spin-sensitive techniques

  6. Low-Dimensional Nanoparticle Clustering in Polymer Micelles and Their Transverse Relaxivity Rates

    Science.gov (United States)

    Hickey, Robert J.; Meng, Xin; Zhang, Peijun; Park, So-Jung

    2015-01-01

    One- or two-dimensional arrays of iron oxide nanoparticles were formed in colloidal assemblies of amphiphilic polymers. Electron tomography imaging revealed that nanoparticles are arranged into one-dimensional strings in magneto-micelles or two-dimensional sheets in magneto-core/shell assemblies. The distinct directional assembly behavior was attributed to the interparticle interaction relative to the nanoparticle–polymer interaction, which was modulated by varying the cosolvent used for the solution phase self-assembly. Magneto-core/shell assemblies with varying structural parameters were formed with a range of different sized as-synthesized nanoparticles. The transverse magnetic relaxivity rates (r2) of a series of different assemblies were determined to examine the effect of nanoparticle arrangement on the magnetic relaxivity for their potential applications in MRI. The results indicated that the assembly structure of nanoparticles in polymer micelles significantly affects the r2 of surrounding water, providing a way to control magnetic relaxivity. PMID:23731021

  7. Time-Dependent Thermally-Driven Interfacial Flows in Multilayered Fluid Structures

    Science.gov (United States)

    Haj-Hariri, Hossein; Borhan, A.

    1996-01-01

    A computational study of thermally-driven convection in multilayered fluid structures will be performed to examine the effect of interactions among deformable fluid-fluid interfaces on the structure of time-dependent flow in these systems. Multilayered fluid structures in two models configurations will be considered: the differentially heated rectangular cavity with a free surface, and the encapsulated cylindrical liquid bridge. An extension of a numerical method developed as part of our recent NASA Fluid Physics grant will be used to account for finite deformations of fluid-fluid interfaces.

  8. Polarization-dependent diffraction in all-dielectric, twisted-band structures

    Energy Technology Data Exchange (ETDEWEB)

    Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

    2015-11-23

    We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

  9. Electrochemistry of single molecules and biomolecules, molecular scale nanostructures, and low-dimensional systems

    DEFF Research Database (Denmark)

    Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Zinkicheva, Tamara T.

    2018-01-01

    Electrochemistry at ultra-small scales, where even the single molecule or biomolecule can be characterized and manipulated, is on the way to a consolidated status. At the same time molecular electrochemistry is expanding into other areas of sophisticated nano- and molecular scale systems includin...... molecular scale metal and semiconductor nanoparticles (NPs) and other nanostructures, e.g. nanotubes, “nanoflowers” etc.. The new structures offer both new electronic properties and highly confined novel charge transfer environments....

  10. Structural dependence of the galvanomagnetic properties of transition-metal aluminide thin films

    CERN Document Server

    Kim, K W; Jeong, M H; Lee, Y P; Rhee, J Y

    1999-01-01

    The structural dependences of the galvanomagnetic properties of Co-Al and Fe-Al alloy films were investigated in this study. Ordered and disordered alloy films with thickness of 150 nm were prepared by using the flash evaporation technique on the heated and cooled substrates, respectively. The temperature dependence of resistance was measured in the range of 2 approx 300 K range with and without a magnetic field of 0.5 T. The influence of the order-disorder structural transition on the temperature dependence of the resistance is discussed in connection with the results for the magnetic properties and is analyzed in the framework of the partial localization of the electronic states and variable-range hopping conductivity.

  11. Computer modelling of structures with account of the construction stages and the time dependent material properties

    Directory of Open Access Journals (Sweden)

    Traykov Alexander

    2015-01-01

    Full Text Available Numerical studies are performed on computer models taking into account the stages of construction and time dependent material properties defined in two forms. A 2D model of three storey two spans frame is created. The first form deals with material defined in the usual design practice way - without taking into account the time dependent properties of the concrete. The second form creep and shrinkage of the concrete are taken into account. Displacements and internal forces in specific elements and sections are reported. The influence of the time dependent material properties on the displacement and the internal forces in the main structural elements is tracked down. The results corresponding to the two forms of material definition are compared together as well as with the results obtained by the usual design calculations. Conclusions on the influence of the concrete creep and shrinkage during the construction towards structural behaviour are made.

  12. On the Soft Limit of the Large Scale Structure Power Spectrum: UV Dependence

    CERN Document Server

    Garny, Mathias; Porto, Rafael A; Sagunski, Laura

    2015-01-01

    We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agr...

  13. Investigation of the redox-dependent modulation of structure and dynamics in human cytochrome c.

    Science.gov (United States)

    Imai, Mizue; Saio, Tomohide; Kumeta, Hiroyuki; Uchida, Takeshi; Inagaki, Fuyuhiko; Ishimori, Koichiro

    2016-01-22

    Redox-dependent changes in the structure and dynamics of human cytochrome c (Cyt c) were investigated by solution NMR. We found significant structural changes in several regions, including residues 23-28 (loop 3), which were further corroborated by chemical shift differences between the reduced and oxidized states of Cyt c. These differences are essential for discriminating redox states in Cyt c by cytochrome c oxidase (CcO) during electron transfer reactions. Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion experiments identified that the region around His33 undergoes conformational exchanges on the μs-ms timescale, indicating significant redox-dependent structural changes. Because His33 is not part of the interaction site for CcO, our data suggest that the dynamic properties of the region, which is far from the interaction site for CcO, contribute to conformational changes during electron transfer to CcO. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Simulations of the low-dimensional molecular-based spin systems: dodecanuclear nickel ring

    Energy Technology Data Exchange (ETDEWEB)

    Kamieniarz, G. [Computational Physics Division, Institute of Physics, A. Mickiewicz University, ul. Umultowska 85, Poznan 61-614 (Poland)]. E-mail: gjk@amu.edu.pl; Haglauer, M. [Computational Physics Division, Institute of Physics, A. Mickiewicz University, ul. Umultowska 85, Poznan 61-614 (Poland); Caramico D' Auria, A. [Dipartimento di Scienze Fisiche, Universita di Napoli, Naples (Italy) and INFM Unita di Naples (Italy); Esposito, F. [Dipartimento di Scienze Fisiche, Universita di Napoli, Naples (Italy) and INFM Unita di Naples (Italy); Gatteschi, D. [Dipartimento di Chimica, Universita di Firenze, Sesto Fiorentino (Italy)

    2005-04-15

    The numerical exact diagonalization technique exploiting the point-group symmetry is worked out for the anisotropic Heisenberg spin Hamiltonian with the ring geometry. It is applied in large-scale simulations to the supramolecule Ni{sub 12}(O{sub 2}CMe){sub 12}(chp){sub 12}(H{sub 2}O){sub 6}(THF){sub 6}, yielding the low-level energy spectra as a function of the single-ion anisotropy D and the thermodynamic functions. The strength of the constant D is analysed and estimated at D/k{sub B}=1.5K. The results for the zero-field susceptibility and the field-dependent magnetization are presented and compared with experimental data.

  15. Dipolar magnetism in ordered and disordered low-dimensional nanoparticle assemblies

    DEFF Research Database (Denmark)

    Varón, M.; Beleggia, M; Kasama, T

    2013-01-01

    order at ambient temperature in assemblies of closely-spaced nanoparticles with magnetic moments of ≥ 100 μ(B). Here we use electron holography with sub-particle resolution to reveal the correlation between particle arrangement and magnetic order in self-assembled 1D and quasi-2D arrangements of 15 nm...... cobalt nanoparticles. In the initial states, we observe dipolar ferromagnetism, antiferromagnetism and local flux closure, depending on the particle arrangement. Surprisingly, after magnetic saturation, measurements and numerical simulations show that overall ferromagnetic order exists in the present...... nanoparticle assemblies even when their arrangement is completely disordered. Such direct quantification of the correlation between topological and magnetic order is essential for the technological exploitation of magnetic quasi-2D nanoparticle assemblies....

  16. Ionization induced by strong electromagnetic field in low dimensional systems bound by short range forces

    Energy Technology Data Exchange (ETDEWEB)

    Eminov, P.A., E-mail: peminov@mail.ru [Moscow State University of Instrument Engineering and Computer Sciences, 20 Stromynka Street, Moscow 2107996 (Russian Federation); National Research University Higher School of Economics, 3/12 Bolshoy Trekhsvyatskiy pereulok, Moscow 109028 (Russian Federation)

    2013-10-01

    Ionization processes for a two dimensional quantum dot subjected to combined electrostatic and alternating electric fields of the same direction are studied using quantum mechanical methods. We derive analytical equations for the ionization probability in dependence on characteristic parameters of the system for both extreme cases of a constant electric field and of a linearly polarized electromagnetic wave. The ionization probabilities for a superposition of dc and low frequency ac electric fields of the same direction are calculated. The impulse distribution of ionization probability for a system bound by short range forces is found for a superposition of constant and alternating fields. The total probability for this process per unit of time is derived within exponential accuracy. For the first time the influence of alternating electric field on electron tunneling probability induced by an electrostatic field is studied taking into account the pre-exponential term.

  17. Predictability analysis and validation of a low-dimensional model - an application to the dynamics of cereal crops observed from satellite

    Science.gov (United States)

    Mangiarotti, Sylvain; Drapeau, Laurent

    2013-04-01

    The global modeling approach aims to obtain parsimonious models of observed dynamics from few or single time series (Letellier et al. 2009). Specific algorithms were developed and validated for this purpose (Mangiarotti et al. 2012a). This approach was applied to the dynamics of cereal crops in semi-arid region using the vegetation index derived from satellite data as a proxy of the dynamics. A low-dimensional autonomous model could be obtained. The corresponding attractor is characteristic of weakly dissipative chaos and exhibits a toroidal-like structure. At present, only few theoretical cases of such chaos are known, and none was obtained from real world observations. Under smooth conditions, a robust validation of three-dimensional chaotic models can be usually performed based on the topological approach (Gilmore 1998). Such approach becomes more difficult for weakly dissipative systems, and almost impossible under noisy observational conditions. For this reason, another validation approach is developed which consists in comparing the forecasting skill of the model to other forecasts for which no dynamical model is required. A data assimilation process is associated to the model to estimate the model's skill; several schemes are tested (simple re-initialization, Extended and Ensemble Kalman Filters and Back and Forth Nudging). Forecasts without model are performed based on the search of analogous states in the phase space (Mangiarotti et al. 2012b). The comparison reveals the quality of the model's forecasts at short to moderate horizons and contributes to validate the model. These results suggest that the dynamics of cereal crops can be reasonably approximated by low-dimensional chaotic models, and also bring out powerful arguments for chaos. Chaotic models have often been used as benchmark to test data assimilation schemes; the present work shows that such tests may not only have a theoretical interest, but also almost direct applicative potential. Moreover

  18. Structural Analysis of Monomeric RNA-Dependent Polymerases: Evolutionary and Therapeutic Implications.

    Directory of Open Access Journals (Sweden)

    Rodrigo Jácome

    Full Text Available The crystal structures of monomeric RNA-dependent RNA polymerases and reverse transcriptases of more than 20 different viruses are available in the Protein Data Bank. They all share the characteristic right-hand shape of DNA- and RNA polymerases formed by the fingers, palm and thumb subdomains, and, in many cases, "fingertips" that extend from the fingers towards the thumb subdomain, giving the viral enzyme a closed right-hand appearance. Six conserved structural motifs that contain key residues for the proper functioning of the enzyme have been identified in all these RNA-dependent polymerases. These enzymes share a two divalent metal-ion mechanism of polymerization in which two conserved aspartate residues coordinate the interactions with the metal ions to catalyze the nucleotidyl transfer reaction. The recent availability of crystal structures of polymerases of the Orthomyxoviridae and Bunyaviridae families allowed us to make pairwise comparisons of the tertiary structures of polymerases belonging to the four main RNA viral groups, which has led to a phylogenetic tree in which single-stranded negative RNA viral polymerases have been included for the first time. This has also allowed us to use a homology-based structural prediction approach to develop a general three-dimensional model of the Ebola virus RNA-dependent RNA polymerase. Our model includes several of the conserved structural motifs and residues described in other viral RNA-dependent RNA polymerases that define the catalytic and highly conserved palm subdomain, as well as portions of the fingers and thumb subdomains. The results presented here help to understand the current use and apparent success of antivirals, i.e. Brincidofovir, Lamivudine and Favipiravir, originally aimed at other types of polymerases, to counteract the Ebola virus infection.

  19. In situ synthesized SnO2 nanorod/reduced graphene oxide low-dimensional structure for enhanced lithium storage.

    Science.gov (United States)

    Zhang, Wei; Xiao, Xuezhang; Zhang, Yiwen; Li, Junpeng; Zhong, Jiayi; Li, Meng; Fan, Xiulin; Wang, Chuntao; Chen, Lixin

    2018-03-09

    A unique SnO 2 nanorod (NR)/reduced graphene oxide (RGO) composite morphology has been synthesized using the in situ hydrothermal method, for use as an anode material in lithium-ion batteries. The SnO 2 NR adhering to the RGO exhibits a length of 250-400 nm and a diameter of 60-80 nm without any obvious aggregation. The initial discharge/charge capacities of the SnO 2 NR/RGO composite are 1761.3 mAh g -1 and 1233.1 mAh g -1 , with a coulombic efficiency (CE) of 70% under a current density of 200 mA g -1 , and a final capacity of 1101 mAh g -1 after 50 cycles. The rate capability of the SnO 2 NR/RGO is also improved compared to that of bare SnO 2 NR. The superior electrochemical performance is ascribed to the special morphology of the SnO 2 NRs-which plays a role in shorting the transmission path-and the sheet-like 2D graphene, which prevents the agglomeration of SnO 2 and enhances conductivity during the electrochemical reaction of SnO 2 NR/RGO.

  20. In situ synthesized SnO2 nanorod/reduced graphene oxide low-dimensional structure for enhanced lithium storage

    Science.gov (United States)

    Zhang, Wei; Xiao, Xuezhang; Zhang, Yiwen; Li, Junpeng; Zhong, Jiayi; Li, Meng; Fan, Xiulin; Wang, Chuntao; Chen, Lixin

    2018-03-01

    A unique SnO2 nanorod (NR)/reduced graphene oxide (RGO) composite morphology has been synthesized using the in situ hydrothermal method, for use as an anode material in lithium-ion batteries. The SnO2 NR adhering to the RGO exhibits a length of 250-400 nm and a diameter of 60-80 nm without any obvious aggregation. The initial discharge/charge capacities of the SnO2 NR/RGO composite are 1761.3 mAh g-1 and 1233.1 mAh g-1, with a coulombic efficiency (CE) of 70% under a current density of 200 mA g-1, and a final capacity of 1101 mAh g-1 after 50 cycles. The rate capability of the SnO2 NR/RGO is also improved compared to that of bare SnO2 NR. The superior electrochemical performance is ascribed to the special morphology of the SnO2 NRs—which plays a role in shorting the transmission path—and the sheet-like 2D graphene, which prevents the agglomeration of SnO2 and enhances conductivity during the electrochemical reaction of SnO2 NR/RGO.

  1. Comparative analysis of the effect of low-dimensional alumina structures on cell lines L929 and Neuro-2a

    Energy Technology Data Exchange (ETDEWEB)

    Fomenko, A. N., E-mail: alserova@ispms.tsc.ru; Korovin, M. S., E-mail: msk@ispms.tsc.ru [National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk, 634050 (Russian Federation)

    2016-08-02

    The paper presents the toxicity evaluation of nanostructures on the basis of alumina of different shape (nanofibers, nanoplates, nanosheets, nanosheet agglomerates) and with similar physical and chemical properties (particle size, specific surface area, phase composition, and zeta potential). The nanostructures were examined by transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), low-temperature nitrogen adsorption, and dynamic light scattering (DLS). The cytotoxicity of nanostructures was estimated using L929 fibroblast cells and Neuro-2a tumor cells. It has been found that the L929 cells are less subject to the influence of alumina nanoparticles than the Neuro-2a tumor cells. Probably, the differences in the proliferation activity of normal and tumor cells in contact with the synthesized nanostructures are due to a change in the pH of the cell microenvironment.

  2. Low-dimensional models of ‘Neuro-glio-vascular unit’ for describing neural dynamics under normal and energy-starved conditions

    Directory of Open Access Journals (Sweden)

    Karishma eChhabria

    2016-03-01

    Full Text Available The motivation of developing simple minimal models for neuro-glio-vascular system arises from a recent modeling study elucidating the bidirectional information flow within the neuro-glio-vascular system having 89 dynamic equations (Chander and Chakravarthy 2012. While this was one of the first attempts at formulating a comprehensive model for neuro-glia-vascular system, it poses severe restrictions in scaling up to network levels. On the contrary, low dimensional models are convenient devices in simulating large networks that also provide an intuitive understanding of the complex interactions occurring within the neuro-glio-vascular system. The key idea underlying the proposed models is to describe the glio-vascular system as a lumped system which takes neural firing rate as input and returns an ‘energy’ variable (analogous to ATP as output. To this end we present two models: Biophysical neuro-energy (Model #1 with 5 variables, comprising of KATP channel activity governed by neuronal ATP dynamics and the Dynamic threshold (Model #2 with 3 variables depicting the dependence of neural firing threshold on the ATP dynamics. Both the models show different firing regimes such as continuous spiking, phasic and tonic bursting depending on the ATP production coefficient, εp and external current. We then demonstrate that in a network comprising of such energy-dependent neuron units, εp could modulate the Local field potential (LFP frequency and amplitude. Interestingly, low frequency LFP dominates under low εp conditions, which is thought to be reminiscent of seizure-like activity observed in epilepsy. The proposed ‘neuron-energy’ unit may be implemented in building models of neuro-glio-vascular networks to simulate data obtained from multimodal neuroimaging systems such as fNIRS-EEG and fMRI-EEG. Such models could also provide a theoretical basis for devising optimal neurorehabilitation strategies such as non-invasive brain stimulation for

  3. Low-Dimensional Models of "Neuro-Glio-Vascular Unit" for Describing Neural Dynamics under Normal and Energy-Starved Conditions.

    Science.gov (United States)

    Chhabria, Karishma; Chakravarthy, V Srinivasa

    2016-01-01

    The motivation of developing simple minimal models for neuro-glio-vascular (NGV) system arises from a recent modeling study elucidating the bidirectional information flow within the NGV system having 89 dynamic equations (1). While this was one of the first attempts at formulating a comprehensive model for neuro-glio-vascular system, it poses severe restrictions in scaling up to network levels. On the contrary, low--dimensional models are convenient devices in simulating large networks that also provide an intuitive understanding of the complex interactions occurring within the NGV system. The key idea underlying the proposed models is to describe the glio-vascular system as a lumped system, which takes neural firing rate as input and returns an "energy" variable (analogous to ATP) as output. To this end, we present two models: biophysical neuro-energy (Model 1 with five variables), comprising KATP channel activity governed by neuronal ATP dynamics, and the dynamic threshold (Model 2 with three variables), depicting the dependence of neural firing threshold on the ATP dynamics. Both the models show different firing regimes, such as continuous spiking, phasic, and tonic bursting depending on the ATP production coefficient, ɛp, and external current. We then demonstrate that in a network comprising such energy-dependent neuron units, ɛp could modulate the local field potential (LFP) frequency and amplitude. Interestingly, low-frequency LFP dominates under low ɛp conditions, which is thought to be reminiscent of seizure-like activity observed in epilepsy. The proposed "neuron-energy" unit may be implemented in building models of NGV networks to simulate data obtained from multimodal neuroimaging systems, such as functional near infrared spectroscopy coupled to electroencephalogram and functional magnetic resonance imaging coupled to electroencephalogram. Such models could also provide a theoretical basis for devising optimal neurorehabilitation strategies, such as

  4. Size and composition dependence of the frozen structures in Co-based bimetallic clusters

    International Nuclear Information System (INIS)

    Li, Guojian; Wang, Qiang; Cao, Yongze; Du, Jiaojiao; He, Jicheng

    2012-01-01

    This Letter studies the size-dependent freezing of Co, Co–Ni, and Co–Cu clusters by using molecular dynamics with embedded atom method. Size effect occurs in these three types of clusters. The clusters with large sizes always freeze to form their bulk-like structures. However, the frozen structures for small sizes are generally related to their compositions. The icosahedral clusters are formed for Co clusters (for ⩽3.2 nm diameter) and also for Co–Ni clusters but at a larger size range (for ⩽4.08 nm). Upon the Co–Cu clusters, decahedral structure is obtained for small size (for 2.47 nm). The released energy induced the structural transformation plays a key role in the frozen structures. These results indicate that the preformed clusters with special structures can be tuned by controlling their compositions and sizes. -- Highlights: ► The size effect occurs in the Co, Co–Ni, and Co–Cu clusters. ► The clusters with large sizes always freeze to form their bulk-like structures. ► The frozen structures for small sizes are generally related to their compositions. ► Icosahedron is formed for Co and also for Co–Ni but at a larger size range. ► Upon the Co–Cu clusters, decahedral structure is obtained for small size.

  5. Indentation versus Rolling: Dependence of Adhesion on Contact Geometry for Biomimetic Structures.

    Science.gov (United States)

    Moyle, Nichole; He, Zhenping; Wu, Haibin; Hui, Chung-Yuen; Jagota, Anand

    2018-04-03

    Numerous biomimetic structures made from elastomeric materials have been developed to produce enhancement in properties such as adhesion, static friction, and sliding friction. As a property, one expects adhesion to be represented by an energy per unit area that is usually sensitive to the combination of shear and normal stresses at the crack front but is otherwise dependent only on the two elastic materials that meet at the interface. More specifically, one would expect that adhesion measured by indentation (a popular and convenient technique) could be used to predict adhesion hysteresis in the more practically important rolling geometry. Previously, a structure with a film-terminated fibrillar geometry exhibited dramatic enhancement of adhesion by a crack-trapping mechanism during indentation with a rigid sphere. Roughly isotropic structures such as the fibrillar geometry show a strong correlation between adhesion enhancement in indentation versus adhesion hysteresis in rolling. However, anisotropic structures, such as a film-terminated ridge-channel geometry, surprisingly show a dramatic divergence between adhesion measured by indentation versus rolling. We study this experimentally and theoretically, first comparing the adhesion of the anisotropic ridge-channel structure to the roughly isotropic fibrillar structure during indentation with a rigid sphere, where only the isotropic structure shows adhesion enhancement. Second, we examine in more detail the anomalous anisotropic film-terminated ridge-channel structure during indentation with a rigid sphere versus rolling to show why these structures show a dramatic adhesion enhancement for the rolling case and no adhesion enhancement for indentation.

  6. Local likelihood estimation of complex tail dependence structures in high dimensions, applied to US precipitation extremes

    KAUST Repository

    Camilo, Daniela Castro

    2017-10-02

    In order to model the complex non-stationary dependence structure of precipitation extremes over the entire contiguous U.S., we propose a flexible local approach based on factor copula models. Our sub-asymptotic spatial modeling framework yields non-trivial tail dependence structures, with a weakening dependence strength as events become more extreme, a feature commonly observed with precipitation data but not accounted for in classical asymptotic extreme-value models. To estimate the local extremal behavior, we fit the proposed model in small regional neighborhoods to high threshold exceedances, under the assumption of local stationarity. This allows us to gain in flexibility, while making inference for such a large and complex dataset feasible. Adopting a local censored likelihood approach, inference is made on a fine spatial grid, and local estimation is performed taking advantage of distributed computing resources and of the embarrassingly parallel nature of this estimation procedure. The local model is efficiently fitted at all grid points, and uncertainty is measured using a block bootstrap procedure. An extensive simulation study shows that our approach is able to adequately capture complex, non-stationary dependencies, while our study of U.S. winter precipitation data reveals interesting differences in local tail structures over space, which has important implications on regional risk assessment of extreme precipitation events. A comparison between past and current data suggests that extremes in certain areas might be slightly wider in extent nowadays than during the first half of the twentieth century.

  7. Condition dependence of male and female genital structures in the seed beetle Callosobruchus maculatus (Coleoptera: Bruchidae).

    Science.gov (United States)

    Cayetano, L; Bonduriansky, R

    2015-07-01

    Theory predicts that costly secondary sexual traits will evolve heightened condition dependence, and many studies have reported strong condition dependence of signal and weapon traits in a variety of species. However, although genital structures often play key roles in intersexual interactions and appear to be subject to sexual or sexually antagonistic selection, few studies have examined the condition dependence of genital structures, especially in both sexes simultaneously. We investigated the responses of male and female genital structures to manipulation of larval diet quality (new versus once-used mung beans) in the bruchid seed beetle Callosobruchus maculatus. We quantified effects on mean relative size and static allometry of the male aedeagus, aedeagal spines, flap and paramere and the female reproductive tract and bursal spines. None of the male traits showed a significant effect of diet quality. In females, we found that longer bursal spines (relative to body size) were expressed on low-quality diet. Although the function of bursal spines is poorly understood, we suggest that greater bursal spine length in low-condition females may represent a sexually antagonistic adaptation. Overall, we found no evidence that genital traits in C. maculatus are expressed to a greater extent when nutrients are more abundant. This suggests that, even though some genital traits appear to function as secondary sexual traits, genital traits do not exhibit heightened condition dependence in this species. We discuss possible reasons for this finding. © 2015 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2015 European Society For Evolutionary Biology.

  8. Local likelihood estimation of complex tail dependence structures in high dimensions, applied to US precipitation extremes

    KAUST Repository

    Camilo, Daniela Castro; Huser, Raphaë l

    2017-01-01

    In order to model the complex non-stationary dependence structure of precipitation extremes over the entire contiguous U.S., we propose a flexible local approach based on factor copula models. Our sub-asymptotic spatial modeling framework yields non-trivial tail dependence structures, with a weakening dependence strength as events become more extreme, a feature commonly observed with precipitation data but not accounted for in classical asymptotic extreme-value models. To estimate the local extremal behavior, we fit the proposed model in small regional neighborhoods to high threshold exceedances, under the assumption of local stationarity. This allows us to gain in flexibility, while making inference for such a large and complex dataset feasible. Adopting a local censored likelihood approach, inference is made on a fine spatial grid, and local estimation is performed taking advantage of distributed computing resources and of the embarrassingly parallel nature of this estimation procedure. The local model is efficiently fitted at all grid points, and uncertainty is measured using a block bootstrap procedure. An extensive simulation study shows that our approach is able to adequately capture complex, non-stationary dependencies, while our study of U.S. winter precipitation data reveals interesting differences in local tail structures over space, which has important implications on regional risk assessment of extreme precipitation events. A comparison between past and current data suggests that extremes in certain areas might be slightly wider in extent nowadays than during the first half of the twentieth century.

  9. Investigation of the field dependent spin structure of exchange coupled magnetic heterostructures

    International Nuclear Information System (INIS)

    Gurieva, Tatiana

    2016-05-01

    This thesis describes the investigation of the field dependent magnetic spin structure of an antiferromagnetically (AF) coupled Fe/Cr heterostructure sandwiched between a hardmagnetic FePt buffer layer and a softmagnetic Fe top layer. The depth-resolved experimental studies of this system were performed via Magneto-optical Kerr effect (MOKE), Vibrating Sample Magnetometry (VSM) and various measuring methods based on nuclear resonant scattering (NRS) technique. Nucleation and evolution of the magnetic spiral structure in the AF coupled Fe/Cr multilayer structure in an azimuthally rotating external magnetic field were observed using NRS. During the experiment a number of time-dependent magnetic side effects (magnetic after-effect, domain-wall creep effect) caused by the non-ideal structure of a real sample were observed and later explained. Creation of the magnetic spiral structure in rotating external magnetic field was simulated using a one-dimensional micromagnetic model.The cross-sectional magnetic X-ray diffraction technique was conceived and is theoretically described in the present work. This method allows to determine the magnetization state of an individual layer in the magnetic heterostructure. It is also applicable in studies of the magnetic structure of tiny samples where conventional x-ray reflectometry fails.

  10. Investigation of the redox-dependent modulation of structure and dynamics in human cytochrome c

    Energy Technology Data Exchange (ETDEWEB)

    Imai, Mizue [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-0810 (Japan); Saio, Tomohide [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-0810 (Japan); Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Kumeta, Hiroyuki [Faculty of Advanced Life Science, Hokkaido University, Sapporo 001-0021 (Japan); Uchida, Takeshi [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-0810 (Japan); Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Inagaki, Fuyuhiko [Faculty of Advanced Life Science, Hokkaido University, Sapporo 001-0021 (Japan); Ishimori, Koichiro, E-mail: koichiro@sci.hokudai.ac.jp [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-0810 (Japan); Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2016-01-22

    Redox-dependent changes in the structure and dynamics of human cytochrome c (Cyt c) were investigated by solution NMR. We found significant structural changes in several regions, including residues 23–28 (loop 3), which were further corroborated by chemical shift differences between the reduced and oxidized states of Cyt c. These differences are essential for discriminating redox states in Cyt c by cytochrome c oxidase (CcO) during electron transfer reactions. Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion experiments identified that the region around His33 undergoes conformational exchanges on the μs-ms timescale, indicating significant redox-dependent structural changes. Because His33 is not part of the interaction site for CcO, our data suggest that the dynamic properties of the region, which is far from the interaction site for CcO, contribute to conformational changes during electron transfer to CcO. - Highlights: • Solution structure and dynamics analysis for human Cyt c by NMR. • Structural changes responsible for the discrimination of the redox state in Cyt c. • Conformational exchange in the region outside of the interaction site for CcO. • Less flexibility and rigid structure of the interaction site on Cyt c for CcO.

  11. Anomalies in the transverse magnetoresistance of bismuth nanowires in the quantum low-dimensional limit

    International Nuclear Information System (INIS)

    Nikolaeva, A.A.; Konopko, L.A.; Tsurkan, A.K.; Botnari, O.V.

    2013-01-01

    Full text: We report here anomalies observed at low temperatures in the transverse magnetoresistance of single Bi nanowires. Bi wires in glass capillary were prepared by liquid phase casting technique with diameters up to 45 nm. The Bi wire are single crystals, with their axis oriented in the bisectrix trigonal plane, about 19 degrees from bisectrix axis. For the first time it was found that the field dependence of transverse magnetoresistance (TMR), R(H) at I perpendicular H in Bi wires with d 0 at T<5K. Effect has been observed at low temperatures in Bi nanowires, with diameter around the critical diameter, at the semimetal-to-semiconductor transition (SMSCT) due to size quantization effect. To interpret these anomalous an accurate model of parabolic potentials taken into account the anisotropy of effective mass of current carriers have been used. The electrical conductivity of quantum Bi wires in the homogeneous magnetic field, directed perpendicular to axis of quantum wire is calculated using the Cubo formula taking into account the scattering process carrier on the interface roughest and phonons. The experimental results confirm the existence of the semimetal-semiconductor phase transition seen in the transverse magnetoresistance.

  12. Predicting the bounds of large chaotic systems using low-dimensional manifolds.

    Directory of Open Access Journals (Sweden)

    Asger M Haugaard

    Full Text Available Predicting extrema of chaotic systems in high-dimensional phase space remains a challenge. Methods, which give extrema that are valid in the long term, have thus far been restricted to models of only a few variables. Here, a method is presented which treats extrema of chaotic systems as belonging to discretised manifolds of low dimension (low-D embedded in high-dimensional (high-D phase space. As a central feature, the method exploits that strange attractor dimension is generally much smaller than parent system phase space dimension. This is important, since the computational cost associated with discretised manifolds depends exponentially on their dimension. Thus, systems that would otherwise be associated with tremendous computational challenges, can be tackled on a laptop. As a test, bounding manifolds are calculated for high-D modifications of the canonical Duffing system. Parameters can be set such that the bounding manifold displays harmonic behaviour even if the underlying system is chaotic. Thus, solving for one post-transient forcing cycle of the bounding manifold predicts the extrema of the underlying chaotic problem indefinitely.

  13. Fish Pectoral Fin Hydrodynamics; Part III: Low Dimensional Models via POD Analysis

    Science.gov (United States)

    Bozkurttas, M.; Madden, P.

    2005-11-01

    The highly complex kinematics of the pectoral fin and the resulting hydrodynamics does not lend itself easily to analysis based on simple notions of pitching/heaving/paddling kinematics or lift/drag based propulsive mechanisms. A more inventive approach is needed to dissect the fin gait and gain insight into the hydrodynamic performance of the pectoral fin. The focus of the current work is on the hydrodynamics of the pectoral fin of a bluegill sunfish in steady forward motion. The 3D, time-dependent fin kinematics is obtained via a stereo-videographic technique. We employ proper orthogonal decomposition to extract the essential features of the fin gait and then use CFD to examine the hydrodynamics of simplified gaits synthesized from the POD modes. The POD spectrum shows that the first two, three and five POD modes capture 55%, 67%, and 80% of the motion respectively. The first three modes are in particular highly distinct: Mode-1 is a ``cupping'' motion where the fin cups forward as it is abducted; Mode-2 is an ``expansion'' motion where the fin expands to present a larger area during adduction and finally Mode-3 involves a ``spanwise flick'' of the dorsal edge of the fin. Numerical simulation of flow past fin gaits synthesized from these modes lead to insights into the mechanisms of thrust production; these are discussed in detail.

  14. Formation of low-dimensional crystalline nucleus region during insulin amyloidogenesis process

    International Nuclear Information System (INIS)

    Amdursky, Nadav; Gazit, Ehud; Rosenman, Gil

    2012-01-01

    Highlights: ► We observe lag-phase crystallization process in insulin. ► The crystallization is a result of the formation of higher order oligomers. ► The crystallization also changes the secondary structure of the protein. ► The spectroscopic signature can be used for amyloid inhibitors assay. -- Abstract: Insulin, as other amyloid proteins, can form amyloid fibrils at certain conditions. The self-assembled aggregation process of insulin can result in a variety of conformations, starting from small oligomers, going through various types of protofibrils, and finishing with bundles of fibrils. One of the most common consensuses among the various self-assembly processes that are suggested in the literature is the formation of an early stage nucleus conformation. Here we present an additional insight for the self-assembly process of insulin. We show that at the early lag phase of the process (prior to fibril formation) the insulin monomers self-assemble into ordered nanostructures. The most notable feature of this early self-assembly process is the formation of nanocrystalline nucleus regions with a strongly bound electron–hole confinement, which also change the secondary structure of the protein. Each step in the self-assembly process is characterized by an optical spectroscopic signature, and possesses a narrow size distribution. By following the spectroscopic signature we can measure the potency of amyloid fibrils inhibitors already at the lag phase. We further demonstrate it by the use of epigallocatechin gallate, a known inhibitor for insulin fibrils. The findings can result in a spectroscopic-based application for the analysis of amyloid fibrils inhibitors.

  15. Front propagation in a regular vortex lattice: Dependence on the vortex structure.

    Science.gov (United States)

    Beauvier, E; Bodea, S; Pocheau, A

    2017-11-01

    We investigate the dependence on the vortex structure of the propagation of fronts in stirred flows. For this, we consider a regular set of vortices whose structure is changed by varying both their boundary conditions and their aspect ratios. These configurations are investigated experimentally in autocatalytic solutions stirred by electroconvective flows and numerically from kinematic simulations based on the determination of the dominant Fourier mode of the vortex stream function in each of them. For free lateral boundary conditions, i.e., in an extended vortex lattice, it is found that both the flow structure and the front propagation negligibly depend on vortex aspect ratios. For rigid lateral boundary conditions, i.e., in a vortex chain, vortices involve a slight dependence on their aspect ratios which surprisingly yields a noticeable decrease of the enhancement of front velocity by flow advection. These different behaviors reveal a sensitivity of the mean front velocity on the flow subscales. It emphasizes the intrinsic multiscale nature of front propagation in stirred flows and the need to take into account not only the intensity of vortex flows but also their inner structure to determine front propagation at a large scale. Differences between experiments and simulations suggest the occurrence of secondary flows in vortex chains at large velocity and large aspect ratios.

  16. A-dependence of structure functions and multiquark clusters in nuclei

    International Nuclear Information System (INIS)

    Kondratyuk, L.; Shmatikov, M.

    1984-01-01

    Assuming existence of 12q-clusters (bags) in nuclei the structure functions of deep inelastic scattering of leptons on nuclei are discussed. Universal momentum distribution of quarks in a multiquark cluster is used with high-momentum component falling exponentially PHIsub(q)sup(2)(k) approximately esup(-k/ksub(0)) with k 0 approximately equal to 50-60 MeV/c. The admixture of 12q-cluster W required for the description of SLAG data increases from 10% for 4 He to 30% for Au. The A-dependence of W agrees well with the A-dependence of cumulative particle spectra

  17. Pair copula constructions to determine the dependence structure of Treasury bond yields

    Directory of Open Access Journals (Sweden)

    Marcelo Brutti Righi

    2015-12-01

    Full Text Available We estimated the dependence structure of US Treasury bonds through a pair copula construction. As a result, we verified that the variability of the yields decreases with a longer time of maturity of the bond. The yields presented strong dependence with past values, strongly positive bivariate associations between the daily variations, and prevalence of the Student's t copula in the relationships between the bonds. Furthermore, in tail associations, we identified relevant values in most of the relationships, which highlights the importance of risk management in the context of bonds diversification.

  18. 2012 Aspen Winter Conference New Paradigms for Low-Dimensional Electronic Materials, February 5-10, 2012

    Energy Technology Data Exchange (ETDEWEB)

    Moore, Joel; Rabe, Karin; Nayak, Chetan; Troyer, Matthias

    2012-05-01

    Aspen Center for Physics Project Summary DOE Budget Period: 10/1/2011 to 9/30/2012 Contract # DE-SC0007479 New Paradigms for Low-Dimensional Electronic Materials The 2012 Aspen Winter Conference on Condensed Matter Physics was held at the Aspen Center for Physics from February 5 to 10, 2012. Seventy-four participants from seven countries, and several universities and national labs attended the workshop titled, New Paradigms for Low-Dimensional Electronic Materials. There were 34 formal talks, and a number of informal discussions held during the week. Talks covered a variety of topics related to DOE BES priorities, including, for example, advanced photon techniques (Hasan, Abbamonte, Orenstein, Shen, Ghosh) and predictive theoretical modeling of materials properties (Rappe, Pickett, Balents, Zhang, Vanderbilt); the full conference schedule is provided with this report. The week's events included a public lecture (Quantum Matters given by Chetan Nayak from Microsoft Research) and attended by 234 members of the public, and a physics caf© geared for high schoolers that is a discussion with physicists conducted by Kathryn Moler (Stanford University) and Andrew M. Rappe (University of Pennsylvania) and attended by 67 locals and visitors. While there were no published proceedings, some of the talks are posted online and can be Googled. The workshop was organized by Joel Moore (University of California Berkeley), Chetan Nayak (Microsoft Research), Karin Rabe (Rutgers University), and Matthias Troyer (ETH Zurich). Two organizers who did not attend the conference were Gabriel Aeppli (University College London & London Centre for Nanotechnology) and Andrea Cavalleri (Oxford University & Max Planck Hamburg).

  19. Quasiclassical methods for spin-charge coupled dynamics in low-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Corini, Cosimo

    2009-06-12

    Spintronics is a new field of study whose broad aim is the manipulation of the spin degrees of freedom in solid state systems. One of its main goals is the realization of devices capable of exploiting, besides the charge, the carriers' - and possibly the nuclei's - spin. The presence of spin-orbit coupling in a system enables the spin and charge degrees of freedom to ''communicate'', a favorable situation if one is to realize such devices. More importantly, it offers the opportunity of doing so by relying solely on electric fields, whereas magnetic fields are otherwise required. Eminent examples of versatile systems with built-in and variously tunable spin-orbit interaction are two-dimensional electron - or hole - gases. The study of spin-charge coupled dynamics in such a context faces a large number of open questions, both of the fundamental and of the more practical type. To tackle the problem we rely on the quasiclassical formalism. This is an approximate quantum-field theoretical formulation with a solid microscopic foundation, perfectly suited for describing phenomena at the mesoscopic scale, and bearing a resemblance to standard Boltzmann theory which makes for physical transparency. Originally born to deal with transport in electron-phonon systems, we first generalize it to the case in which spin-orbit coupling is present, and then move on to apply it to specific situations and phenomena. Among these, to the description of the spin Hall effect and of voltage induced spin polarizations in two-dimensional electron gases under a variety of conditions - stationary or time-dependent, in the presence of magnetic and non-magnetic disorder, in the bulk or in confined geometries -, and to the problem of spin relaxation in narrow wires. (orig.)

  20. Quasiclassical methods for spin-charge coupled dynamics in low-dimensional systems

    International Nuclear Information System (INIS)

    Corini, Cosimo

    2009-01-01

    Spintronics is a new field of study whose broad aim is the manipulation of the spin degrees of freedom in solid state systems. One of its main goals is the realization of devices capable of exploiting, besides the charge, the carriers' - and possibly the nuclei's - spin. The presence of spin-orbit coupling in a system enables the spin and charge degrees of freedom to ''communicate'', a favorable situation if one is to realize such devices. More importantly, it offers the opportunity of doing so by relying solely on electric fields, whereas magnetic fields are otherwise required. Eminent examples of versatile systems with built-in and variously tunable spin-orbit interaction are two-dimensional electron - or hole - gases. The study of spin-charge coupled dynamics in such a context faces a large number of open questions, both of the fundamental and of the more practical type. To tackle the problem we rely on the quasiclassical formalism. This is an approximate quantum-field theoretical formulation with a solid microscopic foundation, perfectly suited for describing phenomena at the mesoscopic scale, and bearing a resemblance to standard Boltzmann theory which makes for physical transparency. Originally born to deal with transport in electron-phonon systems, we first generalize it to the case in which spin-orbit coupling is present, and then move on to apply it to specific situations and phenomena. Among these, to the description of the spin Hall effect and of voltage induced spin polarizations in two-dimensional electron gases under a variety of conditions - stationary or time-dependent, in the presence of magnetic and non-magnetic disorder, in the bulk or in confined geometries -, and to the problem of spin relaxation in narrow wires. (orig.)

  1. Quantum phases of low-dimensional ultra-cold atom systems

    Science.gov (United States)

    Mathey, Ludwig G.

    2007-06-01

    In this thesis we derive and explore the quantum phases of various types of ultracold atom systems, as well as their experimental signature. The technology of cooling, trapping and manipulating ultracold atoms has advanced in an amazing fashion during the last decade, which has led to the study of many-body effects of atomic ensembles. We first consider atomic mixtures in one dimension, which show a rich structure of phases, using a Luttinger liquid description. We then go on to consider how noise correlations in time-of-flight images of one-dimensional systems can be used to draw conclusions about the many-body state that they're in. Thirdly, we consider the quantum phases of Bose-Fermi mixtures in optical lattices, either square lattices or triangular lattices, using the powerful method of functional renormalization group analysis. Lastly, we study the phases of two-coupled quasi-superfluids in two dimensions, which shows unusual phases, and which could be used to realize the Kibble-Zurek mechanism, i.e. the generation of topological defects by ramping across a phase transition, first proposed in the context of an early universe scenario.

  2. Irradiation effects and the role of disorder in low dimensional conductors

    International Nuclear Information System (INIS)

    Zuppiroli, L.; Mutka, H.; Bouffard, S.

    1981-08-01

    The concentration of defects produced by irradiation can be measured by several independent methods such as longitudinal and transverse conductivity measurements at room temperature, spin susceptibility at low temperature, volume or lattice parameters change. The physical consequences of this kind of disorder are as follows. The superconductivy in (TMTSF) 2 PF 6 is destroyed by a molecular concentration of 10-4. The concentration of 2.10 -3 corresponds to the full pinning of charge density waves in monoclinic TaS 3 , 1T-TaS 2 , TTF-TCNQ, TMTSF-DMTCNQ ... Microdiffraction experiments demonstrate some structural aspects of this pinning and conductivity, Hall effect and thermoelectric power measurements demonstrate the consequence of the pinning on the electronic properties of several low temperature charge density wave insulators. In most of the cases the metallic state is stabilized by a weak disorder. The problem of the charge density wave motion in presence of defects is discussed in connection with the electric field depinning experiments. Concentrations of the order of 10 -2 or more correspond to a concentration range of localization by disorder

  3. The spin-dependent structure function g1 of the deuteron

    International Nuclear Information System (INIS)

    Bueltmann, S.

    1996-01-01

    Results on the spin-dependent structure function g 1 d of the deuteron measured by the Spin Muon Collaboration at CERN are presented. They are based on deep-inelastic scattering of 190 GeV polarized muons off a polarized deuteron target in the kinematic range of 0.003 ≤ x Bj ≤ 0.7 and 1 GeV 2 ≤ Q 2 ≤ 60 GeV 2 . The structure function is found to be negative for small values of x Bj , while the proton structure function g 1 p measured earlier by the SMC is positive over the whole x Bj -range. The Bjorken sum rule is in good agreement with the first moments of the structure functions, while the Ellis-Jaffe sum rule is violated by more than three standard deviations for the deuteron measurement. (author)

  4. Film-thickness dependence of structure formation in ultra-thin polymer blend films

    CERN Document Server

    Gutmann, J S; Stamm, M

    2002-01-01

    We investigated the film-thickness dependence of structure formation in ultra-thin polymer blend films prepared from solution. As a model system we used binary blends of statistical poly(styrene-co-p-bromostyrene) copolymers of different degrees of bromination. Ultra-thin-film samples differing in miscibility and film thickness were prepared via spin coating of common toluene solutions onto silicon (100) substrates. The resulting morphologies were investigated with scanning force microscopy, reflectometry and grazing-incidence scattering techniques using both X-rays and neutrons in order to obtain a picture of the sample structure at and below the sample surface. (orig.)

  5. Panel Data with Cross-Sectional Dependence Characterized by a Multi-Level Factor Structure

    DEFF Research Database (Denmark)

    Rodríguez-Caballero, Carlos Vladimir

    A panel data model with a multi-level cross-sectional dependence is proposed. The factor structure is driven by top-level common factors as well as non-pervasive factors. I propose a simple method to filter out the full factor structure that overcomes limitations in standard procedures which may...... mix up both levels of unobservable factors and may hamper the identification of the model. The model covers both stationary and non-stationary cases and takes into account other relevant features that make the model well suited to the analysis of many types of time series frequently addressed...

  6. Measuring size dependent electrical properties from nanoneedle structures: Pt/ZnO Schottky diodes

    International Nuclear Information System (INIS)

    Mao, Shimin; Anderson, Daniel D.; Shang, Tao; Park, Byoungnam; Dillon, Shen J.

    2014-01-01

    This work reports the fabrication and testing of nanoneedle devices with well-defined interfaces that are amenable to a variety of structural and electrical characterization, including transmission electron microscopy. Single Pt/ZnO nanoneedle Schottky diodes were fabricated by a top down method using a combination of electro-polishing, sputtering, and focused ion beam milling. The resulting structures contained nanoscale planar heterojunctions with low ideality factors, the dimensions of which were tuned to study size-dependent electrical properties. The diameter dependence of the Pt/ZnO diode barrier height is explained by a joule heating effect and/or electronic inhomogeneity in the Pt/ZnO contact area

  7. Crystal-Size-Dependent Structural Transitions in Nanoporous Crystals: Adsorption-Induced Transitions in ZIF-8

    KAUST Repository

    Zhang, Chen

    2014-09-04

    © 2014 American Chemical Society. Understanding the crystal-size dependence of both guest adsorption and structural transitions of nanoporous solids is crucial to the development of these materials. We find that nano-sized metal-organic framework (MOF) crystals have significantly different guest adsorption properties compared to the bulk material. A new methodology is developed to simulate the adsorption and transition behavior of entire MOF nanoparticles. Our simulations predict that the transition pressure significantly increases with decreasing particle size, in agreement with crystal-size-dependent experimental measurements of the N2-ZIF-8 system. We also propose a simple core-shell model to examine this effect on length scales that are inaccessible to simulations and again find good agreement with experiments. This study is the first to examine particle size effects on structural transitions in ZIFs and provides a thermodynamic framework for understanding the underlying mechanism.

  8. Temperature dependence of conductivity in high mobility MIS structures on a base of (001) silicon

    International Nuclear Information System (INIS)

    Vyrodov, E.A.; Dolgopolov, V.T.; Dorozhkin, C.I.; Zhitenev, N.B.

    1988-01-01

    Measurements of the temperature dependence of the conductivity of two-dimensional electrons in silicon MIS structures were carried out. It is shown that the observed dependence is well described by the equation σ(T) = σ(0)(1-Q(kT var-epsilon F )-P(kT/var-epsilon F )3/2 + O[(kT/var-epsilon F ) 2 ]). The variation of the coefficient Q with the density N S of the two-dimensional electrons is determined, and it is shown that the observed trend of the Q(s) curve is described by consideration of the temperature dependence of the dielectric function of a two-dimensional electron gas

  9. Electronic structure of free and doped actinides: N and Z dependences of energy levels and electronic structure parameters

    International Nuclear Information System (INIS)

    Kulagin, N.

    2005-01-01

    Theoretical study of electronic structure of antinide ions and its dependence on N and Z are presented in this paper. The main 5f N and excited 5f N n'l' N' configurations of actinides have been studied using Hartree-Fock-Pauli approximation. Results of calculations of radial integrals and the energy of X-ray lines for all 5f ions with electronic state AC +1 -AC +4 show approximate dependence on N and Z. A square of N and cubic of Z are ewalized for the primary electronic parameters of the actinides. Theoretical values of radial integrals for free actinides and for ions in a cluster AC +n :[L] k are compared, too

  10. Alterations in Brain Structure and Functional Connectivity in Alcohol Dependent Patients and Possible Association with Impulsivity.

    Science.gov (United States)

    Wang, Junkai; Fan, Yunli; Dong, Yue; Ma, Mengying; Ma, Yi; Dong, Yuru; Niu, Yajuan; Jiang, Yin; Wang, Hong; Wang, Zhiyan; Wu, Liuzhen; Sun, Hongqiang; Cui, Cailian

    2016-01-01

    Previous studies have documented that heightened impulsivity likely contributes to the development and maintenance of alcohol use disorders. However, there is still a lack of studies that comprehensively detected the brain changes associated with abnormal impulsivity in alcohol addicts. This study was designed to investigate the alterations in brain structure and functional connectivity associated with abnormal impulsivity in alcohol dependent patients. Brain structural and functional magnetic resonance imaging data as well as impulsive behavior data were collected from 20 alcohol dependent patients and 20 age- and sex-matched healthy controls respectively. Voxel-based morphometry was used to investigate the differences of grey matter volume, and tract-based spatial statistics was used to detect abnormal white matter regions between alcohol dependent patients and healthy controls. The alterations in resting-state functional connectivity in alcohol dependent patients were examined using selected brain areas with gray matter deficits as seed regions. Compared with healthy controls, alcohol dependent patients had significantly reduced gray matter volume in the mesocorticolimbic system including the dorsal posterior cingulate cortex, the dorsal anterior cingulate cortex, the medial prefrontal cortex, the orbitofrontal cortex and the putamen, decreased fractional anisotropy in the regions connecting the damaged grey matter areas driven by higher radial diffusivity value in the same areas and decreased resting-state functional connectivity within the reward network. Moreover, the gray matter volume of the left medial prefrontal cortex exhibited negative correlations with various impulse indices. These findings suggest that chronic alcohol dependence could cause a complex neural changes linked to abnormal impulsivity.

  11. Temperature dependent XAFS studies of local atomic structure of the perovskite-type zirconates

    International Nuclear Information System (INIS)

    Vedrinskii, R. V.; Lemeshko, M. P.; Novakovich, A. A.; Nazarenko, E. S.; Nassif, V.; Proux, O.; Joly, Y.

    2006-01-01

    Temperature dependent preedge and extended x-ray absorption fine structure measurements at the Zr K edge for the perovskite-type zirconates PbZr 0.515 Ti 0.485 O 3 (PZT), PbZrO 3 (PZ), and BaZrO 3 are performed. To carry out a more accurate study of the weak reconstruction of the local atomic structure we employed a combination of two techniques: (i) analysis of the preedge fine structure, and (ii) analysis of the Fourier transform of the difference between χ(k) functions obtained at different temperatures. A detailed investigation of local atomic structure in the cubic phase for all the crystals is also performed. It is shown that neither the displacive nor the order-disorder model can describe correctly the changes of local atomic structure during phase transitions in PZ and PZT. A spherical model describing the local atomic structure of perovskite-type crystals suffering structural phase transitions is proposed

  12. Rate Dependent Multicontinuum Progressive Failure Analysis of Woven Fabric Composite Structures under Dynamic Impact

    Directory of Open Access Journals (Sweden)

    James Lua

    2004-01-01

    Full Text Available Marine composite materials typically exhibit significant rate dependent response characteristics when subjected to extreme dynamic loading conditions. In this work, a strain-rate dependent continuum damage model is incorporated with multicontinuum technology (MCT to predict damage and failure progression for composite material structures. MCT treats the constituents of a woven fabric composite as separate but linked continua, thereby allowing a designer to extract constituent stress/strain information in a structural analysis. The MCT algorithm and material damage model are numerically implemented with the explicit finite element code LS-DYNA3D via a user-defined material model (umat. The effects of the strain-rate hardening model are demonstrated through both simple single element analyses for woven fabric composites and also structural level impact simulations of a composite panel subjected to various impact conditions. Progressive damage at the constituent level is monitored throughout the loading. The results qualitatively illustrate the value of rate dependent material models for marine composite materials under extreme dynamic loading conditions.

  13. Low-Dimensional Nanomaterials and Molecular Dielectrics for Radiation-Hard Electronics

    Science.gov (United States)

    McMorrow, Julian

    for SAND deposition, supporting the SAND superlattice structure and its superlative electronic properties on a metal surface. This result is critical for conducting fundamental transport studies when integrating SAND with novel semiconductor materials, as well as enabling complex circuit integration and SAND on flexible substrates. Altogether, these works drive the integration of novel nanoelectronic materials for future electronics while providing an understanding of their varying radiation response mechanisms to enable their adoption in future space-bound applications.

  14. Dependency distance minimization in understanding of ambiguous structure. Comment on "Dependency distance: A new perspective on syntactic patterns in natural languages" by Haitao Liu et al.

    Science.gov (United States)

    Zhao, Yiyi

    2017-07-01

    Dependency Distance, proposed by Hudson [1], calculated by Liu [2,3], is an important concept in Dependency Theory. It can be used as a measure of the syntactic difficulty, and lots of research [2,4] have testified the universal of Dependency Distance in various languages. Human languages seem to present a preference for short dependency distance, which may be explained in terms of general cognitive constraint of limited working memory [5]. Psychological experiments in English, German, Russian and Chinese support the hypothesis that Dependency Distance minimization (DDM) make languages to evolve into some syntactic patterns to reduce memory burden [6-9]. The study of psychology focuses on the process and mechanism of syntactic structure selection in speech comprehension. In many speech comprehension experiments [10], ambiguous structure is an important experimental material.

  15. Designing Structure-Dependent MPC-Based AGC Schemes Considering Network Topology

    Directory of Open Access Journals (Sweden)

    Young-Sik Jang

    2015-04-01

    Full Text Available This paper presents the important features of structure-dependent model predictive control (MPC-based approaches for automatic generation control (AGC considering network topology. Since power systems have various generators under different topologies, it is necessary to reflect the characteristics of generators in power networks and the control system structures in order to improve the dynamic performance of AGC. Specifically, considering control system structures is very important because not only can the topological problems be reduced, but also a computing system for AGC in a bulk-power system can be realized. Based on these considerations, we propose new schemes in the proposed controller for minimizing inadvertent line flows and computational burden, which strengthen the advantages of MPC-based approach for AGC. Analysis and simulation results in the IEEE 39-bus model system show different dynamic behaviors among structure-dependent control schemes and possible improvements in computational burden via the proposed control scheme while system operators in each balancing area consider physical load reference ramp constraints among generators.

  16. Statistical discovery of site inter-dependencies in sub-molecular hierarchical protein structuring.

    Science.gov (United States)

    Durston, Kirk K; Chiu, David Ky; Wong, Andrew Kc; Li, Gary Cl

    2012-07-13

    Much progress has been made in understanding the 3D structure of proteins using methods such as NMR and X-ray crystallography. The resulting 3D structures are extremely informative, but do not always reveal which sites and residues within the structure are of special importance. Recently, there are indications that multiple-residue, sub-domain structural relationships within the larger 3D consensus structure of a protein can be inferred from the analysis of the multiple sequence alignment data of a protein family. These intra-dependent clusters of associated sites are used to indicate hierarchical inter-residue relationships within the 3D structure. To reveal the patterns of associations among individual amino acids or sub-domain components within the structure, we apply a k-modes attribute (aligned site) clustering algorithm to the ubiquitin and transthyretin families in order to discover associations among groups of sites within the multiple sequence alignment. We then observe what these associations imply within the 3D structure of these two protein families. The k-modes site clustering algorithm we developed maximizes the intra-group interdependencies based on a normalized mutual information measure. The clusters formed correspond to sub-structural components or binding and interface locations. Applying this data-directed method to the ubiquitin and transthyretin protein family multiple sequence alignments as a test bed, we located numerous interesting associations of interdependent sites. These clusters were then arranged into cluster tree diagrams which revealed four structural sub-domains within the single domain structure of ubiquitin and a single large sub-domain within transthyretin associated with the interface among transthyretin monomers. In addition, several clusters of mutually interdependent sites were discovered for each protein family, each of which appear to play an important role in the molecular structure and/or function. Our results

  17. A study of angle dependent surface plasmon polaritons in nano-hole array structures

    Energy Technology Data Exchange (ETDEWEB)

    Balakrishnan, Shankar [Department of Physics and Astronomy, University of Western Ontario, London, Ontario N6A 3K7 (Canada); Lawson Health Research Institute, St. Joseph' s Health Care, London, Ontario N6A 4V2 (Canada); Najiminaini, Mohamadreza; Carson, Jeffrey J. L. [Lawson Health Research Institute, St. Joseph' s Health Care, London, Ontario N6A 4V2 (Canada); Department of Medical Biophysics, University of Western Ontario, London, Ontario N6A 3K7 (Canada); Singh, Mahi R. [Department of Physics and Astronomy, University of Western Ontario, London, Ontario N6A 3K7 (Canada)

    2016-07-21

    We report that the light-matter interaction in metallic nano-hole array structures possess a subwavelength hole radius and periodicity. The transmission coefficient for nano-hole array structures was measured for different angles of incidence of light. Each measured transmission spectrum had several peaks due to surface plasmon polaritons. A theory of the transmission coefficient was developed based on the quantum density matrix method. It was found that the location of the surface plasmon polariton and the heights of the spectral peaks were dependent on the angle of incidence of light. Good agreement was observed between the experimental and theoretical results. This property of these structures has opened up new possibilities for sensing applications.

  18. The Structure of Social Cognition: In(ter)dependence of Sociocognitive Processes.

    Science.gov (United States)

    Happé, Francesca; Cook, Jennifer L; Bird, Geoffrey

    2017-01-03

    Social cognition is a topic of enormous interest and much research, but we are far from having an agreed taxonomy or factor structure of relevant processes. The aim of this review is to outline briefly what is known about the structure of social cognition and to suggest how further progress can be made to delineate the in(ter)dependence of core sociocognitive processes. We focus in particular on several processes that have been discussed and tested together in typical and atypical (notably autism spectrum disorder) groups: imitation, biological motion, empathy, and theory of mind. We consider the domain specificity/generality of core processes in social learning, reward, and attention, and we highlight the potential relevance of dual-process theories that distinguish systems for fast/automatic and slow/effortful processing. We conclude with methodological and conceptual suggestions for future progress in uncovering the structure of social cognition.

  19. Target-Dependent Structural Changes Accompanying Long-Term Synaptic Facilitation in Aplysia Neurons

    Science.gov (United States)

    Glanzman, David L.; Kandel, Eric R.; Schacher, Samuel

    1990-08-01

    The mechanisms underlying structural changes that accompany learning and memory have been difficult to investigate in the intact nervous system. In order to make these changes more accessible for experimental analysis, dissociated cell culture and low-light-level video microscopy were used to examine Aplysia sensory neurons in the presence or absence of their target cells. Repeated applications of serotonin, a facilitating transmitter important in behavioral dishabituation and sensitization, produced growth of the sensory neurons that paralleled the long-term enhancement of synaptic strength. This growth required the presence of the postsynaptic motor neuron. Thus, both the structural changes and the synaptic facilitation of Aplysia sensorimotor synapses accompanying long-term behavioral sensitization can be produced in vitro by applying a single facilitating transmitter repeatedly. These structural changes depend on an interaction of the presynaptic neuron with an appropriate postsynaptic target.

  20. Weak temperature dependence of ageing of structural properties in atomistic model glassformers

    Science.gov (United States)

    Jenkinson, Thomas; Crowther, Peter; Turci, Francesco; Royall, C. Patrick

    2017-08-01

    Ageing phenomena are investigated from a structural perspective in two binary Lennard-Jones glassformers, the Kob-Andersen and Wahnström mixtures. In both, the geometric motif assumed by the glassformer upon supercooling, the locally favoured structure (LFS), has been established. The Kob-Andersen mixture forms bicapped square antiprisms; the Wahnström model forms icosahedra. Upon ageing, we find that the structural relaxation time has a time-dependence consistent with a power law. However, the LFS population and potential energy increase and decrease, respectively, in a logarithmic fashion. Remarkably, over the time scales investigated, which correspond to a factor of 104 change in relaxation times, the rate at which these quantities age appears almost independent of temperature. Only at temperatures far below the Vogel-Fulcher-Tamman temperature do the ageing dynamics slow.

  1. An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase

    Energy Technology Data Exchange (ETDEWEB)

    Davies, Douglas R.; Staker, Bart L.; Abendroth, Jan A.; Edwards, Thomas E.; Hartley, Robert; Leonard, Jess; Kim, Hidong; Rychel, Amanda L.; Hewitt, Stephen N.; Myler, Peter J.; Stewart, Lance J. (UWASH); (Emerald)

    2011-12-07

    Burkholderia pseudomallei is a soil-dwelling bacterium endemic to Southeast Asia and Northern Australia. Burkholderia is responsible for melioidosis, a serious infection of the skin. The enzyme 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase (PGAM) catalyzes the interconversion of 3-phosphoglycerate and 2-phosphoglycerate, a key step in the glycolytic pathway. As such it is an extensively studied enzyme and X-ray crystal structures of PGAM enzymes from multiple species have been elucidated. Vanadate is a phosphate mimic that is a powerful tool for studying enzymatic mechanisms in phosphoryl-transfer enzymes such as phosphoglycerate mutase. However, to date no X-ray crystal structures of phosphoglycerate mutase have been solved with vanadate acting as a substrate mimic. Here, two vanadate complexes together with an ensemble of substrate and fragment-bound structures that provide a comprehensive picture of the function of the Burkholderia enzyme are reported.

  2. Neutron scattering investigation on low-dimensional, quantum and frustrated magnetism and utilization of neutron polarization analysis. My first encounter with neutron research

    International Nuclear Information System (INIS)

    Kakurai, Kazuhisa

    2013-01-01

    My first encounter with neutron scattering research on low-dimensional magnetism at the Hahn-Meitner Institut under the supervision of Prof. H. Dachs and Prof. M. Steiner, were it all began, is accounted for. The polarized neutron analysis research on low-dimensional magnetism at the Institut Laue Langevin under the supervision of Dr. R. Pynn is also reported. I would like to dedicate this article to late Prof. H. Dachs expressing may deepest gratitude for his warm guidance during the early period of my neutron science carrier. (author)

  3. On the soft limit of the large scale structure power spectrum. UV dependence

    International Nuclear Information System (INIS)

    Garny, Mathias

    2015-08-01

    We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agreement within the expected uncertainties. Our approach can in principle be used to precisely infer the relevance of the leading order EFT coefficient(s) using small volume simulations in an 'anisotropic separate universe' framework. Our results suggest that the importance of these coefficient(s) is a ∝ 10% effect, and plausibly smaller.

  4. Q2 dependence of the spin structure function in the resonance region

    International Nuclear Information System (INIS)

    Li, Z.; Li, Z.

    1994-01-01

    In this paper, we show what we can learn from the CEBAF experiments on spin-structure functions, and the transition from the Drell-Hearn-Gerasimov sum rule in the real photon limit to the spin-dependent sum rules in deep inelastic scattering, and how the asymmetry A 1 (x,Q 2 ) approaches the scaling limit in the resonance region. The spin structure function in the resonance region alone cannot determine the spin-dependent sum rule due to the kinematic restriction of the resonance region. The integral ∫ 0 1 {A 1 (x,Q 2 )F 2 (x,Q 2 )/2x[1+R(x,Q 2 )]}dx is estimated from Q 2 =0--2.5 GeV 2 . The result shows that there is a region where both contributions from the baryon resonances and the deep inelastic scattering are important; thus it provides important information on the high twist effects on the spin-dependent sum rule

  5. Structure of Hordeum vulgare NADPH-dependent thioredoxin reductase 2. Unwinding the reaction mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Kirkensgaard, Kristine G. [Carlsberg Laboratory (Denmark); Enzyme and Protein Chemistry, Department of Systems BioIogy, Technical University of Denmark (Denmark); Hägglund, Per; Finnie, Christine; Svensson, Birte [Enzyme and Protein Chemistry, Department of Systems BioIogy, Technical University of Denmark (Denmark); Henriksen, Anette, E-mail: anette@crc.dk [Carlsberg Laboratory (Denmark)

    2009-09-01

    The first crystal structure of a cereal NTR, a protein involved in seed development and germination, has been determined. The structure is in a conformation that excludes NADPH binding and indicates that a domain reorientation facilitated by Trx binding precedes NADPH binding in the reaction mechanism. Thioredoxins (Trxs) are protein disulfide reductases that regulate the intracellular redox environment and are important for seed germination in plants. Trxs are in turn regulated by NADPH-dependent thioredoxin reductases (NTRs), which provide reducing equivalents to Trx using NADPH to recycle Trxs to the active form. Here, the first crystal structure of a cereal NTR, HvNTR2 from Hordeum vulgare (barley), is presented, which is also the first structure of a monocot plant NTR. The structure was determined at 2.6 Å resolution and refined to an R{sub cryst} of 19.0% and an R{sub free} of 23.8%. The dimeric protein is structurally similar to the structures of AtNTR-B from Arabidopsis thaliana and other known low-molecular-weight NTRs. However, the relative position of the two NTR cofactor-binding domains, the FAD and the NADPH domains, is not the same. The NADPH domain is rotated by 25° and bent by a 38% closure relative to the FAD domain in comparison with AtNTR-B. The structure may represent an intermediate between the two conformations described previously: the flavin-oxidizing (FO) and the flavin-reducing (FR) conformations. Here, analysis of interdomain contacts as well as phylogenetic studies lead to the proposal of a new reaction scheme in which NTR–Trx interactions mediate the FO to FR transformation.

  6. Structure of Hordeum vulgare NADPH-dependent thioredoxin reductase 2. Unwinding the reaction mechanism

    International Nuclear Information System (INIS)

    Kirkensgaard, Kristine G.; Hägglund, Per; Finnie, Christine; Svensson, Birte; Henriksen, Anette

    2009-01-01

    The first crystal structure of a cereal NTR, a protein involved in seed development and germination, has been determined. The structure is in a conformation that excludes NADPH binding and indicates that a domain reorientation facilitated by Trx binding precedes NADPH binding in the reaction mechanism. Thioredoxins (Trxs) are protein disulfide reductases that regulate the intracellular redox environment and are important for seed germination in plants. Trxs are in turn regulated by NADPH-dependent thioredoxin reductases (NTRs), which provide reducing equivalents to Trx using NADPH to recycle Trxs to the active form. Here, the first crystal structure of a cereal NTR, HvNTR2 from Hordeum vulgare (barley), is presented, which is also the first structure of a monocot plant NTR. The structure was determined at 2.6 Å resolution and refined to an R cryst of 19.0% and an R free of 23.8%. The dimeric protein is structurally similar to the structures of AtNTR-B from Arabidopsis thaliana and other known low-molecular-weight NTRs. However, the relative position of the two NTR cofactor-binding domains, the FAD and the NADPH domains, is not the same. The NADPH domain is rotated by 25° and bent by a 38% closure relative to the FAD domain in comparison with AtNTR-B. The structure may represent an intermediate between the two conformations described previously: the flavin-oxidizing (FO) and the flavin-reducing (FR) conformations. Here, analysis of interdomain contacts as well as phylogenetic studies lead to the proposal of a new reaction scheme in which NTR–Trx interactions mediate the FO to FR transformation

  7. Time-Dependent Variations in Structure of Sheep Wool Irradiated by Electron Beam

    Directory of Open Access Journals (Sweden)

    Zuzana Hanzlíková

    2017-01-01

    Full Text Available Wool scoured in tap water with no special degreasing and containing a balanced humidity responding to usual laboratory conditions was irradiated by accelerated electron beam in the range of 0–350 kGy dose. Time variations of the wool structure were measured using FTIR, Raman, and EPR spectroscopy. The aim was to determine whether preexposure treatment of the wool, as well as postexposure time, affects the properties of the irradiated wool. Reactive products such as S-sulfonate, cystine monoxide, cystine dioxide, cysteic acid, disulphides, and carboxylates displayed a considerable fluctuation in quantity depending on both the absorbed dose and time. Mutual transformations of S-oxidized products into cysteic acid appeared to be faster than those in dry and degreased wool assuming that the present humidity inside the fibres is decisive as an oxygen source. EPR results indicated a longer lifetime for free radicals induced by lower doses compared with the radicals generated by higher ones. The pattern of the conformational composition of the secondary structure (α-helix, β-sheet, random, and residual conformations also showed a large variability depending on absorbed dose as well as postexposure time. The most stable secondary structure was observed in nonirradiated wool but even this showed a small but observable change after a longer time, too.

  8. Biomolecule-assisted construction of cadmium sulfide hollow spheres with structure-dependent photocatalytic activity.

    Science.gov (United States)

    Wei, Chengzhen; Zang, Wenzhe; Yin, Jingzhou; Lu, Qingyi; Chen, Qun; Liu, Rongmei; Gao, Feng

    2013-02-25

    In this study, we report the synthesis of monodispersive solid and hollow CdS spheres with structure-dependent photocatalytic abilities for dye photodegradation. The monodispersive CdS nanospheres were constructed with the assistance of the soulcarboxymthyi chitosan biopolymer under hydrothermal conditions. The solid CdS spheres were corroded by ammonia to form hollow CdS nanospheres through a dissolution-reprecipitation mechanism. Their visible-light photocatalytic activities were investigated, and the results show that both the solid and the hollow CdS spheres have visible-light photocatalytic abilities for the photodegradation of dyes. The photocatalytic properties of the CdS spheres were demonstrated to be structure dependent. Although the nanoparticles comprising the hollow spheres have larger sizes than those comprising the solid spheres, the hollow CdS spheres have better photocatalytic performances than the solid CdS spheres, which can be attributed to the special hollow structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Genetic and ontogenetic variation in an endangered tree structures dependent arthropod and fungal communities.

    Directory of Open Access Journals (Sweden)

    Benjamin J Gosney

    Full Text Available Plant genetic and ontogenetic variation can significantly impact dependent fungal and arthropod communities. However, little is known of the relative importance of these extended genetic and ontogenetic effects within a species. Using a common garden trial, we compared the dependent arthropod and fungal community on 222 progeny from two highly differentiated populations of the endangered heteroblastic tree species, Eucalyptus morrisbyi. We assessed arthropod and fungal communities on both juvenile and adult foliage. The community variation was related to previous levels of marsupial browsing, as well as the variation in the physicochemical properties of leaves using near-infrared spectroscopy. We found highly significant differences in community composition, abundance and diversity parameters between eucalypt source populations in the common garden, and these were comparable to differences between the distinctive juvenile and adult foliage. The physicochemical properties assessed accounted for a significant percentage of the community variation but did not explain fully the community differences between populations and foliage types. Similarly, while differences in population susceptibility to a major marsupial herbivore may result in diffuse genetic effects on the dependent community, this still did not account for the large genetic-based differences in dependent communities between populations. Our results emphasize the importance of maintaining the populations of this rare species as separate management units, as not only are the populations highly genetically structured, this variation may alter the trajectory of biotic colonization of conservation plantings.

  10. Structural Understanding of the Glutathione-dependent Reduction Mechanism of Glutathionyl-Hydroquinone Reductases*

    Science.gov (United States)

    Green, Abigail R.; Hayes, Robert P.; Xun, Luying; Kang, ChulHee

    2012-01-01

    Glutathionyl-hydroquinone reductases (GS- HQRs) are a newly identified group of glutathione transferases, and they are widely distributed in bacteria, halobacteria, fungi, and plants. GS-HQRs catalyze glutathione (GSH)-dependent reduction of glutathionyl-hydroquinones (GS-hydroquinones) to hydroquinones. GS-hydroquinones can be spontaneously formed from benzoquinones reacting with reduced GSH via Michael addition, and GS-HQRs convert the conjugates to hydroquinones. In this report we have determined the structures of two bacterial GS-HQRs, PcpF of Sphingobium chlorophenolicum and YqjG of Escherichia coli. The two structures and the previously reported structure of a fungal GS-HQR shared many features and displayed complete conservation for all the critical residues. Furthermore, we obtained the binary complex structures with GS-menadione, which in its reduced form, GS-menadiol, is a substrate. The structure revealed a large H-site that could accommodate various substituted hydroquinones and a hydrogen network of three Tyr residues that could provide the proton for reductive deglutathionylation. Mutation of the Tyr residues and the position of two GSH molecules confirmed the proposed mechanism of GS-HQRs. The conservation of GS-HQRs across bacteria, halobacteria, fungi, and plants potentiates the physiological role of these enzymes in quinone metabolism. PMID:22955277

  11. The nuclear structure dependence of (p,α) reactions on light nuclei

    International Nuclear Information System (INIS)

    Leitner, W.

    1985-01-01

    As the theoretical predictions on nuclear structure and on nucleon-nucleon correlations implied by the nuclear wave functions are not subject to an immediate experimental verification the authors require a reaction theory connecting these state functions with observable quantities. The application of (rho,α) reactions as a spectroscopic tool has found widespread interest, as a number of microscopic descriptions of the reaction mechanism have facilitated the extraction of nuclear structure information. A microscopic formulation results in a strong dependence of the cross section on the nuclear structure of the reaction partners. The different basic configurations of the transferred nucleon system contribute coherently, thus causing a great sensitivity to the relative phases of the wave functions' amplitudes. A major disadvantage inherent to these microscopic theories of multinucleon-transfer reactions is based on the destruction of the transition amplitude's formal symmetry in the dynamic and in the nuclear structure part. In order to retain the factorization of the reaction amplitude, the authors applied the cluster ansatz to the microscopic theory of an earlier studies. The attractive features of this procedure are the conservation of the coherence properties of the structure term and the straightforward determination of transition strengths, independent of an elaborate DWBA treatment

  12. Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390 (United States)

    2015-12-07

    We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.

  13. Temperature dependent electrical characteristics of Zn/ZnSe/n-GaAs/In structure

    Science.gov (United States)

    Sağlam, M.; Güzeldir, B.

    2016-04-01

    We have reported a study of the I-V characteristics of Zn/ZnSe/n-GaAs/In sandwich structure in a wide temperature range of 80-300 K by a step of 20 K, which are prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) method. The main electrical parameters, such as ideality factor and zero-bias barrier height determined from the forward bias I-V characteristics were found strongly depend on temperature and when the increased, the n decreased with increasing temperature. The ideality factor and barrier height values as a function of the sample temperature have been attributed to the presence of the lateral inhomogeneities of the barrier height. Furthermore, the series resistance have been calculated from the I-V measurements as a function of temperature dependent.

  14. Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium

    Energy Technology Data Exchange (ETDEWEB)

    Wernimont, Amy K; Artz, Jennifer D.; Jr, Patrick Finerty; Lin, Yu-Hui; Amani, Mehrnaz; Allali-Hassani, Abdellah; Senisterra, Guillermo; Vedadi, Masoud; Tempel, Wolfram; Mackenzie, Farrell; Chau, Irene; Lourido, Sebastian; Sibley, L. David; Hui, Raymond (Toronto); (WU-MED)

    2010-09-21

    Calcium-dependent protein kinases (CDPKs) have pivotal roles in the calcium-signaling pathway in plants, ciliates and apicomplexan parasites and comprise a calmodulin-dependent kinase (CaMK)-like kinase domain regulated by a calcium-binding domain in the C terminus. To understand this intramolecular mechanism of activation, we solved the structures of the autoinhibited (apo) and activated (calcium-bound) conformations of CDPKs from the apicomplexan parasites Toxoplasma gondii and Cryptosporidium parvum. In the apo form, the C-terminal CDPK activation domain (CAD) resembles a calmodulin protein with an unexpected long helix in the N terminus that inhibits the kinase domain in the same manner as CaMKII. Calcium binding triggers the reorganization of the CAD into a highly intricate fold, leading to its relocation around the base of the kinase domain to a site remote from the substrate binding site. This large conformational change constitutes a distinct mechanism in calcium signal-transduction pathways.

  15. SFG study on potential-dependent structure of water at Pt electrode/electrolyte solution interface

    Energy Technology Data Exchange (ETDEWEB)

    Noguchi, Hidenori; Okada, Tsubasa; Uosaki, Kohei [Physical Chemistry Laboratory, Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2008-10-01

    Structure of water at Pt/electrolyte solution interface was investigated by sum frequency generation (SFG) spectroscopy. Two broad peaks were observed in OH stretching region at ca. 3200 cm{sup -1} and ca. 3400 cm{sup -1}, which are known to be due to the symmetric OH stretching (U{sub 1}) of tetrahedrally coordinated, i.e., strongly hydrogen bonded 'ice-like' water, and the asymmetric OH stretching (U{sub 3}) of water molecules in a more random arrangement, i.e., weakly hydrogen bonded 'liquid-like' water, respectively. The SFG intensity strongly depended on electrode potential. Several possibilities are suggested for the potential dependence of the SFG intensity. (author)

  16. NATO Advanced Study Institute on Low-dimensional Cooperative Phenomena : the Possibility of High-Temperature Superconductivity

    CERN Document Server

    1975-01-01

    Theoretical and experimental work on solids with low-dimensional cooperative phenomena has been rather explosively expanded in the last few years, and it seems to be quite fashionable to con­ tribute to this field, especially to the problem of one-dimensional metals. On the whole, one could divide the huge amount of recent investigations into two parts although there is much overlap bet­ ween these regimes, namely investigations on magnetic exchange interactions constrained to mainly one or two dimensions and, secondly, work done on Id metallic solids or linear chain compounds with Id delocalized electrons. There is, of course, overlap from one extreme case to the other with these solids and in some rare cases both phenomena are studied on one and the same crystal. In fact, however, most of the scientific groups in this area could be associated roughly with one of these categories and,in addition, a separation between theoreticians and experimentalists in each of these groups leads to a further splitting of...

  17. A perspective on bridging scales and design of models using low-dimensional manifolds and data-driven model inference

    KAUST Repository

    Tegner, Jesper; Zenil, Hector; Kiani, Narsis A.; Ball, Gordon; Gomez-Cabrero, David

    2016-01-01

    Systems in nature capable of collective behaviour are nonlinear, operating across several scales. Yet our ability to account for their collective dynamics differs in physics, chemistry and biology. Here, we briefly review the similarities and differences between mathematical modelling of adaptive living systems versus physico-chemical systems. We find that physics-based chemistry modelling and computational neuroscience have a shared interest in developing techniques for model reductions aiming at the identification of a reduced subsystem or slow manifold, capturing the effective dynamics. By contrast, as relations and kinetics between biological molecules are less characterized, current quantitative analysis under the umbrella of bioinformatics focuses on signal extraction, correlation, regression and machine-learning analysis. We argue that model reduction analysis and the ensuing identification of manifolds bridges physics and biology. Furthermore, modelling living systems presents deep challenges as how to reconcile rich molecular data with inherent modelling uncertainties (formalism, variables selection and model parameters). We anticipate a new generative data-driven modelling paradigm constrained by identified governing principles extracted from low-dimensional manifold analysis. The rise of a new generation of models will ultimately connect biology to quantitative mechanistic descriptions, thereby setting the stage for investigating the character of the model language and principles driving living systems.

  18. A perspective on bridging scales and design of models using low-dimensional manifolds and data-driven model inference

    KAUST Repository

    Tegner, Jesper

    2016-10-04

    Systems in nature capable of collective behaviour are nonlinear, operating across several scales. Yet our ability to account for their collective dynamics differs in physics, chemistry and biology. Here, we briefly review the similarities and differences between mathematical modelling of adaptive living systems versus physico-chemical systems. We find that physics-based chemistry modelling and computational neuroscience have a shared interest in developing techniques for model reductions aiming at the identification of a reduced subsystem or slow manifold, capturing the effective dynamics. By contrast, as relations and kinetics between biological molecules are less characterized, current quantitative analysis under the umbrella of bioinformatics focuses on signal extraction, correlation, regression and machine-learning analysis. We argue that model reduction analysis and the ensuing identification of manifolds bridges physics and biology. Furthermore, modelling living systems presents deep challenges as how to reconcile rich molecular data with inherent modelling uncertainties (formalism, variables selection and model parameters). We anticipate a new generative data-driven modelling paradigm constrained by identified governing principles extracted from low-dimensional manifold analysis. The rise of a new generation of models will ultimately connect biology to quantitative mechanistic descriptions, thereby setting the stage for investigating the character of the model language and principles driving living systems.

  19. Underwound DNA under Tension: Structure, Elasticity, and Sequence-Dependent Behaviors

    Science.gov (United States)

    Sheinin, Maxim Y.; Forth, Scott; Marko, John F.; Wang, Michelle D.

    2011-09-01

    DNA melting under torsion plays an important role in a wide variety of cellular processes. In the present Letter, we have investigated DNA melting at the single-molecule level using an angular optical trap. By directly measuring force, extension, torque, and angle of DNA, we determined the structural and elastic parameters of torsionally melted DNA. Our data reveal that under moderate forces, the melted DNA assumes a left-handed structure as opposed to an open bubble conformation and is highly torsionally compliant. We have also discovered that at low forces melted DNA properties are highly dependent on DNA sequence. These results provide a more comprehensive picture of the global DNA force-torque phase diagram.

  20. Time-domain representation of frequency dependent inertial forces on offshore structures

    DEFF Research Database (Denmark)

    Krenk, Steen

    2013-01-01

    dependence is then approximated by a rational function, corresponding to a set of ordinary differential equations in the time domain. The MacCamy-Fuchs solution leads to a representation of the inertial force coefficient as a complex function with argument mainly corresponding to a 'phase lead', in contrast...... history of the inertial force is determined by processing the stable part of the transformation by a forward time integration, followed by an integration in the negative time-direction to obtain the final inertial force time history. The differential equations of the local inertial force at a cross......The inertial wave force on a vertical cylinder decreases with decreasing wave length, when the wave length is less than about six times the diameter of the diameter of the cylinder. In structures with a largediameter component like mono-towers the resonance frequency of the structure is typically...

  1. A lattice calculation of the nucleon's spin-dependent structure function g2 revisited

    International Nuclear Information System (INIS)

    Goeckeler, M.; Rakow, P.E.L.; Schaefer, A.; Schierholz, G.

    2000-11-01

    Our previous calculation of the spin-dependent structure function g 2 is revisited. The interest in this structure function is to a great extent motivated by the fact that it receives contributions from twist-two as well as from twist-three operators already in leading order of 1/Q 2 thus offering the unique possibility of directly assessing higher-twist effects. In our former calculation the lattice operators were renormalized perturbatively and mixing with lower-dimensional operators was ignored. However, the twist-three operator which gives rise to the matrix element d 2 mixes non-perturbatively with an operator of lower dimension. Taking this effect into account leads to a considerably smaller value of d 2 , which is consistent with the experimental data. (orig.)

  2. Scale-Dependence of Processes Structuring Dung Beetle Metacommunities Using Functional Diversity and Community Deconstruction Approaches

    Science.gov (United States)

    da Silva, Pedro Giovâni; Hernández, Malva Isabel Medina

    2015-01-01

    Community structure is driven by mechanisms linked to environmental, spatial and temporal processes, which have been successfully addressed using metacommunity framework. The relative importance of processes shaping community structure can be identified using several different approaches. Two approaches that are increasingly being used are functional diversity and community deconstruction. Functional diversity is measured using various indices that incorporate distinct community attributes. Community deconstruction is a way to disentangle species responses to ecological processes by grouping species with similar traits. We used these two approaches to determine whether they are improvements over traditional measures (e.g., species composition, abundance, biomass) for identification of the main processes driving dung beetle (Scarabaeinae) community structure in a fragmented mainland-island landscape in southern Brazilian Atlantic Forest. We sampled five sites in each of four large forest areas, two on the mainland and two on the island. Sampling was performed in 2012 and 2013. We collected abundance and biomass data from 100 sampling points distributed over 20 sampling sites. We studied environmental, spatial and temporal effects on dung beetle community across three spatial scales, i.e., between sites, between areas and mainland-island. The γ-diversity based on species abundance was mainly attributed to β-diversity as a consequence of the increase in mean α- and β-diversity between areas. Variation partitioning on abundance, biomass and functional diversity showed scale-dependence of processes structuring dung beetle metacommunities. We identified two major groups of responses among 17 functional groups. In general, environmental filters were important at both local and regional scales. Spatial factors were important at the intermediate scale. Our study supports the notion of scale-dependence of environmental, spatial and temporal processes in the distribution

  3. Chemical/molecular structure of the dentin-enamel junction is dependent on the intratooth location.

    Science.gov (United States)

    Xu, Changqi; Yao, Xiaomei; Walker, Mary P; Wang, Yong

    2009-03-01

    The dentin-enamel junction (DEJ) plays an important role in preventing crack propagation from enamel into dentin. This function stems from its complex structure and materials properties that are different from either dentin or enamel. The molecular structural differences in both mineral and organic matrix across the DEJ zone were investigated by two-dimensional confocal Raman microspectroscopic mapping/imaging technique. The intensity ratios of 1450 (CH, matrix)/960 (P-O, mineral) decreased gradually to nearly zero across the DEJ. The width of this transition zone was dependent on the intratooth location, with 12.9 +/- 3.2 microm width at occlusal positions and 6.2 +/- 1.3 microm at cervical positions. The difference in width was significant (P < 0.001). Concurrently, spectral differences in both organic and inorganic matrices across the DEJ were also noted. For example, the ratios of 1243 (amide III)/1450 (CH) within the DEJ were lower than the values in dentin; however, the ratios of 1665 (amide I)/1450 (CH) within the DEJ were higher than those values in dentin. In addition, the ratios of 1070 (carbonate)/960 (phosphate) within the dentin were lower than the values in the DEJ. Raman images indicated that the distribution of the above ratios across the DEJ zone were also different at occlusal and cervical positions. The results suggest that the intratooth-location-dependent structure of the DEJ may be related to its function. Micro-Raman spectroscopic/imaging analysis of the DEJ provides a powerful means of identifying the functional width and molecular structural differences across the DEJ.

  4. Dependence of toxicity of silver nanoparticles on Pseudomonas putida biofilm structure.

    Science.gov (United States)

    Thuptimdang, Pumis; Limpiyakorn, Tawan; Khan, Eakalak

    2017-12-01

    Susceptibility of biofilms with different physical structures to silver nanoparticles (AgNPs) was studied. Biofilms of Pseudomonas putida KT2440 were formed in batch conditions under different carbon sources (glucose, glutamic acid, and citrate), glucose concentrations (5 and 50 mM), and incubation temperatures (25 and 30 °C). The biofilms were observed using confocal laser scanning microscopy for their physical characteristics (biomass amount, thickness, biomass volume, surface to volume ratio, and roughness coefficient). The biofilms forming under different growth conditions exhibited different physical structures. The biofilm thickness and the roughness coefficient were found negatively and positively correlated with the biofilm susceptibility to AgNPs, respectively. The effect of AgNPs on biofilms was low (1-log reduction of cell number) when the biofilms had high biomass amount, high thickness, high biomass volume, low surface to volume ratio, and low roughness coefficient. Furthermore, the extracellular polymeric substance (EPS) stripping process was applied to confirm the dependence of susceptibility to AgNPs on the structure of biofilm. After the EPS stripping process, the biofilms forming under different conditions showed reduction in thickness and biomass volume, and increases in surface to volume ratio and roughness coefficient, which led to more biofilm susceptibility to AgNPs. The results of this study suggest that controlling the growth conditions to alter the biofilm physical structure is a possible approach to reduce the impact of AgNPs on biofilms in engineered and natural systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Temperature-dependent fine structure splitting in InGaN quantum dots

    Science.gov (United States)

    Wang, Tong; Puchtler, Tim J.; Zhu, Tongtong; Jarman, John C.; Kocher, Claudius C.; Oliver, Rachel A.; Taylor, Robert A.

    2017-07-01

    We report the experimental observation of temperature-dependent fine structure splitting in semiconductor quantum dots using a non-polar (11-20) a-plane InGaN system, up to the on-chip Peltier cooling threshold of 200 K. At 5 K, a statistical average splitting of 443 ± 132 μeV has been found based on 81 quantum dots. The degree of fine structure splitting stays relatively constant for temperatures less than 100 K and only increases above that temperature. At 200 K, we find that the fine structure splitting ranges between 2 and 12 meV, which is an order of magnitude higher than that at low temperatures. Our investigations also show that phonon interactions at high temperatures might have a correlation with the degree of exchange interactions. The large fine structure splitting at 200 K makes it easier to isolate the individual components of the polarized emission spectrally, increasing the effective degree of polarization for potential on-chip applications of polarized single-photon sources.

  6. Structure dependent electrochemical performance of Li-rich layered oxides in lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Fang; Yao, Yuze; Wang, Haiyan; Xu, Gui-Liang; Amine, Khalil; Sun, Shi-Gang; Shao, Minhua

    2017-04-08

    Rational and precise control of the structure and dimension of electrode materials is an efficient way to improve their electrochemical performance. In this work, solvothermal or co-precipitation method is used to synthesize lithium-rich layered oxide materials of Li1.2Mn0.56Co0.12Ni0.12O2 (LLO) with various morphologies and structures, including microspheres, microrods, nanoplates, and irregular nanoparticles. These materials exhibit strong structure- dependent electrochemical properties. The porous hierarchical structured LLO microrods exhibit the best performance, delivering a discharge capacity of 264.6 mAh g(-1) at 0.5 C with over 91% retention after 100 cycles. At a high rate of 5 C, a high discharge capacity of 173.6 mAh g(-1) can be achieved. This work reveals the relationship between the morphologies and electrochemical properties of LLO cathode materials, and provides a feasible approach to fabricating robust and high-performance electrode materials for lithium-ion batteries.

  7. Energetic Approach to Investigation of Chaotic Behavior of Low-Dimensional Dynamic Systems and its Illustration on a Two-Disc Rikitake Dynamo

    Czech Academy of Sciences Publication Activity Database

    Pánek, D.; Hrušák, J.; Doležel, Ivo

    2007-01-01

    Roč. 43, č. 596 (2007), s. 46-51 ISSN 0321-0499 R&D Projects: GA ČR(CZ) GA102/07/0496 Institutional research plan: CEZ:AV0Z20570509 Keywords : chaotic behavior * low-dimensional chaotic systems * Rikitake dynamo Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  8. Emergence of coherent localized structures in shear deformations of temperature dependent fluids

    KAUST Repository

    Katsaounis, Theodoros

    2016-11-25

    Shear localization occurs in various instances of material instability in solid mechanics and is typically associated with Hadamard-instability for an underlying model. While Hadamard instability indicates the catastrophic growth of oscillations around a mean state, it does not by itself explain the formation of coherent structures typically observed in localization. The latter is a nonlinear effect and its analysis is the main objective of this article. We consider a model that captures the main mechanisms observed in high strain-rate deformation of metals, and describes shear motions of temperature dependent non-Newtonian fluids. For a special dependence of the viscosity on the temperature, we carry out a linearized stability analysis around a base state of uniform shearing solutions, and quantitatively assess the effects of the various mechanisms affecting the problem: thermal softening, momentum diffusion and thermal diffusion. Then, we turn to the nonlinear model, and construct localized states - in the form of similarity solutions - that emerge as coherent structures in the localization process. This justifies a scenario for localization that is proposed on the basis of asymptotic analysis in \\\\cite{KT}.

  9. Pressure dependent elastic and structural (B3-B1) properties of Ga based monopnictides

    International Nuclear Information System (INIS)

    Varshney, Dinesh; Joshi, Geetanjali; Varshney, Meenu; Shriya, Swarna

    2010-01-01

    By formulating an effective interionic interaction potential that incorporates the long-range Coulomb, the covalency effects, the charge transfer caused by the deformation of the electron shells of the overlapping ions, the Hafemeister and Flygare type short-range overlap repulsion extended up to the second neighbour ions and the van der Waals (vdW) interaction, the pressure dependent elastic and thermodynamical properties of the III-V semiconductors as GaY (Y = N, P, As) are studied. The estimated values of phase transition pressure of GaY (Y = N, P, As) are in reasonably good agreement with the available data on the phase transition pressures (P t = 41, 22, 17 GPa). The vast volume discontinuity in pressure-volume phase diagram identifies a structural phase transition from zinc-blende (B3) to rock salt (B1) structure. Later on, the Poisson's ratio ν, the ratio R S/B of S (Voigt averaged shear modulus) over B (bulk modulus), elastic anisotropy parameter, elastic wave velocity, average wave velocity and Debye temperature as functions of pressure is calculated. From Poisson's ratio and the ratio R S/B it is inferred that GaY (Y = N, P, As) is brittle [ductile] in zinc-blende (B3) [Sodium Chloride (B1)] phase. To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of ductile (brittle) nature of GaY compounds and still awaits experimental confirmations.

  10. Emergence of coherent localized structures in shear deformations of temperature dependent fluids

    KAUST Repository

    Katsaounis, Theodoros; Olivier, Julien; Tzavaras, Athanasios

    2016-01-01

    Shear localization occurs in various instances of material instability in solid mechanics and is typically associated with Hadamard-instability for an underlying model. While Hadamard instability indicates the catastrophic growth of oscillations around a mean state, it does not by itself explain the formation of coherent structures typically observed in localization. The latter is a nonlinear effect and its analysis is the main objective of this article. We consider a model that captures the main mechanisms observed in high strain-rate deformation of metals, and describes shear motions of temperature dependent non-Newtonian fluids. For a special dependence of the viscosity on the temperature, we carry out a linearized stability analysis around a base state of uniform shearing solutions, and quantitatively assess the effects of the various mechanisms affecting the problem: thermal softening, momentum diffusion and thermal diffusion. Then, we turn to the nonlinear model, and construct localized states - in the form of similarity solutions - that emerge as coherent structures in the localization process. This justifies a scenario for localization that is proposed on the basis of asymptotic analysis in \\cite{KT}.

  11. Dependence structure of the commodity and stock markets, and relevant multi-spread strategy

    Science.gov (United States)

    Kim, Min Jae; Kim, Sehyun; Jo, Yong Hwan; Kim, Soo Yong

    2011-10-01

    Understanding the dependence structure between the commodity and stock markets is a crucial issue in constructing a portfolio. It can also help us to discover new opportunities to implement spread trading using multiple assets classified in the two different markets. This study analyzed the dependence structure of the commodity and stock markets using the random matrix theory technique and network analysis. Our results show that the stock and commodity markets must be handled as completely separated asset classes except for the oil and gold markets, so the performance enhancement of the mean-variance portfolio is significant as expected. In light of the fact that WTI 1 month futures and four oil-related stocks are strongly correlated, they were selected as basic ingredients to complement the multi-spread convergence trading strategy using a machine learning technique called the AdaBoost algorithm. The performance of this strategy for non-myopic investors, who can endure short-term loss, can be enhanced significantly on a risk measurement basis.

  12. Time-dependent bow shocks and the condensation structure of Herbig-Haro objects

    International Nuclear Information System (INIS)

    Raga, A.C.; Bohm, K.H.

    1987-01-01

    Some Herbig-Haro objects show a structure which appears to look like a bow shock, but also show a number of condensations superposed on this bow-shaped structure. In the case of HH 1 and HH 2 considerably different proper motions have been measured for the individual condensations. It is, however, very hard to explain why the condensations remain so close to each other if they are indeed separate entities. In this paper it is shown that an interpretation of the whole Herbig-Haro object as a single, time-dependent bow shock provides a natural explanation for the occurrence of condensations (which in numerical calculations appear to be associated with thermal instabilities in the postshock flow) with different proper motions. To this effect, time-dependent, axisymmetric, nonadiabatic bow shock models have been developed from which predictions were obtained for spatially resolved H-alpha intensity maps, and then these predictions are compared qualitatively with observations of a few Herbig-Haro objects. 57 references

  13. Structural requirements for cub domain containing protein 1 (CDCP1 and Src dependent cell transformation.

    Directory of Open Access Journals (Sweden)

    Gwendlyn Kollmorgen

    Full Text Available Cub domain containing protein 1 (CDCP1 is strongly expressed in tumors derived from lung, colon, ovary, or kidney. It is a membrane protein that is phosphorylated and then bound by Src family kinases. Although expression and phosphorylation of CDCP1 have been investigated in many tumor cell lines, the CDCP1 features responsible for transformation have not been fully evaluated. This is in part due to the lack of an experimental system in which cellular transformation depends on expression of exogenous CDCP1 and Src. Here we use retrovirus mediated co-overexpression of c-Src and CDCP1 to induce focus formation of NIH3T3 cells. Employing different mutants of CDCP1 we show that for a full transformation capacity, the intact amino- and carboxy-termini of CDCP1 are essential. Mutation of any of the core intracellular tyrosine residues (Y734, Y743, or Y762 abolished transformation, and mutation of a palmitoylation motif (C689,690G strongly reduced it. Src kinase binding to CDCP1 was not required since Src with a defective SH2 domain generated even more CDCP1 dependent foci whereas Src myristoylation was necessary. Taken together, the focus formation assay allowed us to define structural requirements of CDCP1/Src dependent transformation and to characterize the interaction of CDCP1 and Src.

  14. Safety factor profile dependence of turbulent structure formation in relevant to internal transport barrier relaxation

    International Nuclear Information System (INIS)

    Tokunaga, S.; Yagi, M.; Itoh, S.-I.; Itoh, K.

    2009-01-01

    Full text: It is widely understood that the improved confinement mode with transport barrier is necessary to achieve the self-ignition condition in ITER. The negative magnetic shear, mean ExB flow shear, and zonal flow are considered to play important roles for ITB formation. In our previous study, it is found that the non-linear interaction between the meso-scale modes produces non-local energy transfer to the off-resonant mode in the vicinity of q min surface and brings global relaxation of the temperature profile involving ITB collapse. Experimental studies indicate that a relationship exists between the ITB formation and safety factor q-profile, with a reversed magnetic shear (RS) configuration. Transitional ITB events occur on the low-order rational resonant surface. The ITB shape and location depend on the q-profile and q min position. These observations indicate that the q-profile might play an essential role in determining the turbulent structure. In this study, the effect of safety factor profile on the ion temperature gradient driven drift wave (ITG) turbulence is investigated using a global non-linear simulation code based on the gyro-fluid model. A heat source and toroidal momentum source are introduced. Dependence of safety factor profiles on ITB formation and its stability is examined to clarify the influence of the radial distribution of the rational surfaces and the q min value. It is found that the nonlinearly excited meso-scale mode in the vicinity of q min depends on the value of q min . A detailed analysis of the structure selection rule is in progress. (author)

  15. Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.

    Directory of Open Access Journals (Sweden)

    Misty L Kuhn

    Full Text Available The emerging view of Nε-lysine acetylation in eukaryotes is of a relatively abundant post-translational modification (PTM that has a major impact on the function, structure, stability and/or location of thousands of proteins involved in diverse cellular processes. This PTM is typically considered to arise by the donation of the acetyl group from acetyl-coenzyme A (acCoA to the ε-amino group of a lysine residue that is reversibly catalyzed by lysine acetyltransferases and deacetylases. Here, we provide genetic, mass spectrometric, biochemical and structural evidence that Nε-lysine acetylation is an equally abundant and important PTM in bacteria. Applying a recently developed, label-free and global mass spectrometric approach to an isogenic set of mutants, we detected acetylation of thousands of lysine residues on hundreds of Escherichia coli proteins that participate in diverse and often essential cellular processes, including translation, transcription and central metabolism. Many of these acetylations were regulated in an acetyl phosphate (acP-dependent manner, providing compelling evidence for a recently reported mechanism of bacterial Nε-lysine acetylation. These mass spectrometric data, coupled with observations made by crystallography, biochemistry, and additional mass spectrometry showed that this acP-dependent acetylation is both non-enzymatic and specific, with specificity determined by the accessibility, reactivity and three-dimensional microenvironment of the target lysine. Crystallographic evidence shows acP can bind to proteins in active sites and cofactor binding sites, but also potentially anywhere molecules with a phosphate moiety could bind. Finally, we provide evidence that acP-dependent acetylation can impact the function of critical enzymes, including glyceraldehyde-3-phosphate dehydrogenase, triosephosphate isomerase, and RNA polymerase.

  16. Elucidating the pH-Dependent Structural Transition of T7 Bacteriophage Endolysin.

    Science.gov (United States)

    Sharma, Meenakshi; Kumar, Dinesh; Poluri, Krishna Mohan

    2016-08-23

    Bacteriophages are the most abundant and diverse biological entities on earth. Bacteriophage endolysins are unique peptidoglycan hydrolases and have huge potential as effective enzybiotics in various infectious models. T7 bacteriophage endolysin (T7L), also known as N-acetylmuramoyl-l-alanine amidase or T7 lysozyme, is a 17 kDa protein that lyses a range of Gram-negative bacteria by hydrolyzing the amide bond between N-acetylmuramoyl residues and the l-alanine of the peptidoglycan layer. Although the activity profiles of several of the T7 family members have been known for many years, the molecular basis for their pH-dependent differential activity is not clear. In this study, we explored the pH-induced structural, stability, and activity characteristics of T7L by applying a variety of biophysical techniques and protein nuclear magnetic resonance (NMR) spectroscopy. Our studies established a reversible structural transition of T7L below pH 6 and the formation of a partially denatured conformation at pH 3. This low-pH conformation is thermally stable and exposed its hydrophobic pockets. Further, NMR relaxation measurements and structural analysis unraveled that T7L is highly dynamic in its native state and a network of His residues are responsible for the observed pH-dependent conformational dynamics and transitions. As bacteriophage chimeric and engineered endolysins are being developed as novel therapeutics against multiple drug resistance pathogens, we believe that our results are of great help in designing these entities as broadband antimicrobial and/or antibacterial agents.

  17. Structural and functional characteristics of cGMP-dependent methionine oxidation in Arabidopsis thaliana proteins

    KAUST Repository

    Marondedze, Claudius

    2013-01-05

    Background: Increasing structural and biochemical evidence suggests that post-translational methionine oxidation of proteins is not just a result of cellular damage but may provide the cell with information on the cellular oxidative status. In addition, oxidation of methionine residues in key regulatory proteins, such as calmodulin, does influence cellular homeostasis. Previous findings also indicate that oxidation of methionine residues in signaling molecules may have a role in stress responses since these specific structural modifications can in turn change biological activities of proteins. Findings. Here we use tandem mass spectrometry-based proteomics to show that treatment of Arabidopsis thaliana cells with a non-oxidative signaling molecule, the cell-permeant second messenger analogue, 8-bromo-3,5-cyclic guanosine monophosphate (8-Br-cGMP), results in a time-dependent increase in the content of oxidised methionine residues. Interestingly, the group of proteins affected by cGMP-dependent methionine oxidation is functionally enriched for stress response proteins. Furthermore, we also noted distinct signatures in the frequency of amino acids flanking oxidised and un-oxidised methionine residues on both the C- and N-terminus. Conclusions: Given both a structural and functional bias in methionine oxidation events in response to a signaling molecule, we propose that these are indicative of a specific role of such post-translational modifications in the direct or indirect regulation of cellular responses. The mechanisms that determine the specificity of the modifications remain to be elucidated. 2013 Marondedze et al.; licensee BioMed Central Ltd.

  18. Dependence of hydrogen storage characteristics of mechanically milled carbon materials on their host structures

    International Nuclear Information System (INIS)

    Shindo, K.; Kondo, T.; Sakurai, Y.

    2004-01-01

    We investigated whether the hydrogen storage characteristics of carbon materials prepared by mechanical milling in an H 2 atmosphere were dependent on their host structures. We used natural graphite (NG) and activated carbon fibers (ACF) and compared them with activated carbon (AC) powders. The XRD patterns of NG and ACF milled for over 20 h and SEM images of these samples milled for 80 h were almost the same as those of AC. The hydrogen storage capacities of NG and ACF estimated by the inert gas fusion-thermal conductivity method increased with the mechanical milling time up to 10 h and showed little milling time dependence thereafter. The capacities of NG and ACF reached about 3.0 wt.% and were similar to that of AC. However, it should be noted that the hydrogen storage mechanism of NG and ACF mechanically milled in an H 2 atmosphere might be different because the changes in their specific surface areas with milling time were opposite. Thermal desorption mass spectroscopy (TDS) revealed that the desorption spectra of the hydrogen molecules (mass number=2) of NG and ACF milled for 10 h in the same way as AC contained two peaks at about 500 and 800 deg. C. The desorption activation energies of hydrogenated NG and ACF at these peaks calculated from a Kissinger plot were almost with the same as those of hydrogenated AC. This suggests that the state of the hydrogen trapped in the structural defects in NG introduced by the mechanical milling may be almost the same as that of AC. In addition, we assumed the possibility that the state of the hydrogen in ACF hydrogenated by mechanical milling could be almost the same as that in hydrogenated AC. We considered that the nanocarbon materials hydrogenated under our milling conditions had very similar physical shapes and hydrogen storage capacities, independent of their host structures

  19. Size dependences of crystal structure and magnetic properties of DyMnO{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Tajiri, T., E-mail: tajiri@fukuoka-u.ac.jp [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan); Terashita, N.; Hamamoto, K.; Deguchi, H.; Mito, M. [Faculty of Engineering, Kyushu Institute of Technology, Kitakyushu 804-8550 (Japan); Morimoto, Y.; Konishi, K. [Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Kohno, A. [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan)

    2013-11-15

    We synthesized DyMnO{sub 3} nanoparticles with particle sizes of about 7.5–15.3 nm in the pores of mesoporous silica and investigated their crystal structure and magnetic properties. As the particle size decreased, the lattice constants of the DyMnO{sub 3} nanoparticles deviated from those of the bulk crystal, and the Jahn–Teller distortion in the nanoparticle systems decreased. In addition, the estimated lattice strain increased with decreasing particle size. The DyMnO{sub 3} nanoparticles showed superparamagnetic behavior. The blocking temperature and the coercive field increased with decreasing particle size, and this behavior was contrary to the usual magnetic size effects. It is deduced that these unique size dependences of the magnetic properties for the DyMnO{sub 3} nanoparticles were derived from the changes in lattice constants and lattice strain. The anisotropic lattice deformation in the crystal structure of the nanoparticles induces an enhancement of the magnetic anisotropy, which results in the increase in blocking temperature and coercive field with decreasing particle size. - Highlights: • We successfully synthesized DyMnO{sub 3} nanoparticles with particle size of 7.5–15.3 nm. • Lattice strain increases with decreasing particle size. • Lattice constants exhibit anisotropic change with decreasing particle size. • Distortion of crystal structure leads to enhancement of magnetic anisotropy constant. • Blocking temperature and coercive field increases with decreasing particle size.

  20. Structural and electronic transformations in substituted La-Sr manganites depending on cations and oxygen content

    Science.gov (United States)

    Karpasyuk, Vladimir; Badelin, Alexey; Merkulov, Denis; Derzhavin, Igor; Estemirova, Svetlana

    2018-05-01

    In the present research experimental data are obtained for the Jahn-Teller O‧ phase formation, phase transformation "orthorhombic-rhombohedral structure" and the change of the conductance type in the systems of manganites La3+1-c+xSr2+c-xMn3+1-c-x-2γMn4+c+2γZn2+xO3+γ, La3+1-c-xSr2+c+xMn3+1-c-x-2γMn4+c+2γGe4+xO3+γ, La3+1-cSr2+cMn3+1-x-c-2γMn4+c+2γ(Zn2+0.5Ge4+0.5)xO3+γ, where Mn4+ ions concentration is independent of "x". Ceramic samples were sintered in air at 1473 K. As-sintered samples had an excess of oxygen content. In order to provide stoichiometric oxygen content, the samples were annealed at 1223 K and partial pressure of oxygen PO2 = 10-1 Pа. Structural characteristics of the O‧ phase were obtained. The position of the phase boundary "orthorhombic-rhombohedral structure" and the temperature of the conductance type change depending on the cation composition of manganites and oxygen content were determined. Possible approaches to the interpretation of experimental results were suggested.

  1. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    Energy Technology Data Exchange (ETDEWEB)

    Snodin, Benedict E. K., E-mail: benedict.snodin@chem.ox.ac.uk; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K., E-mail: jonathan.doye@chem.ox.ac.uk [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Randisi, Ferdinando [Life Sciences Interface Doctoral Training Center, South Parks Road, Oxford OX1 3QU (United Kingdom); Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Šulc, Petr [Center for Studies in Physics and Biology, The Rockefeller University, 1230 York Avenue, New York, New York 10065 (United States); Ouldridge, Thomas E. [Department of Mathematics, Imperial College, 180 Queen’s Gate, London SW7 2AZ (United Kingdom); Tsukanov, Roman; Nir, Eyal [Department of Chemistry and the Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer Sheva (Israel); Louis, Ard A. [Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2015-06-21

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na{sup +}] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

  2. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    International Nuclear Information System (INIS)

    Snodin, Benedict E. K.; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K.; Randisi, Ferdinando; Šulc, Petr; Ouldridge, Thomas E.; Tsukanov, Roman; Nir, Eyal; Louis, Ard A.

    2015-01-01

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na + ] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA

  3. Thickness dependencies of structural and magnetic properties of cubic and tetragonal Heusler alloy bilayer films

    Science.gov (United States)

    Ranjbar, R.; Suzuki, K. Z.; Sugihara, A.; Ando, Y.; Miyazaki, T.; Mizukami, S.

    2017-07-01

    The thickness dependencies of the structural and magnetic properties for bilayers of cubic Co-based Heusler alloys (CCHAs: Co2FeAl (CFA), Co2FeSi (CFS), Co2MnAl (CMA), and Co2MnSi (CMS)) and D022-MnGa were investigated. Epitaxy of the B2 structure of CCHAs on a MnGa film was achieved; the smallest thickness with the B2 structure was found for 3-nm-thick CMS and CFS. The interfacial exchange coupling (Jex) was antiferromagnetic (AFM) for all of the CCHAs/MnGa bilayers except for unannealed CFA/MnGa samples. A critical thickness (tcrit) at which perpendicular magnetization appears of approximately 4-10 nm for the CMA/MnGa and CMS/MnGa bilayers was observed, whereas this thickness was 1-3 nm for the CFA/MnGa and CFS/MnGa films. The critical thickness for different CCHAs materials is discussed in terms of saturation magnetization (Ms) and the Jex .

  4. Repeated Structural Imaging Reveals Nonlinear Progression of Experience-Dependent Volume Changes in Human Motor Cortex.

    Science.gov (United States)

    Wenger, Elisabeth; Kühn, Simone; Verrel, Julius; Mårtensson, Johan; Bodammer, Nils Christian; Lindenberger, Ulman; Lövdén, Martin

    2017-05-01

    Evidence for experience-dependent structural brain change in adult humans is accumulating. However, its time course is not well understood, as intervention studies typically consist of only 2 imaging sessions (before vs. after training). We acquired up to 18 structural magnetic resonance images over a 7-week period while 15 right-handed participants practiced left-hand writing and drawing. After 4 weeks, we observed increases in gray matter of both left and right primary motor cortices relative to a control group; 3 weeks later, these differences were no longer reliable. Time-series analyses revealed that gray matter in the primary motor cortices expanded during the first 4 weeks and then partially renormalized, in particular in the right hemisphere, despite continued practice and increasing task proficiency. Similar patterns of expansion followed by partial renormalization are also found in synaptogenesis, cortical map plasticity, and maturation, and may qualify as a general principle of structural plasticity. Research on human brain plasticity needs to encompass more than 2 measurement occasions to capture expansion and potential renormalization processes over time. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  5. NADP-Dependent Aldehyde Dehydrogenase from Archaeon Pyrobaculum sp.1860: Structural and Functional Features

    Directory of Open Access Journals (Sweden)

    Ekaterina Yu. Bezsudnova

    2016-01-01

    Full Text Available We present the functional and structural characterization of the first archaeal thermostable NADP-dependent aldehyde dehydrogenase AlDHPyr1147. In vitro, AlDHPyr1147 catalyzes the irreversible oxidation of short aliphatic aldehydes at 60–85°С, and the affinity of AlDHPyr1147 to the NADP+ at 60°С is comparable to that for mesophilic analogues at 25°С. We determined the structures of the apo form of AlDHPyr1147 (3.04 Å resolution, three binary complexes with the coenzyme (1.90, 2.06, and 2.19 Å, and the ternary complex with the coenzyme and isobutyraldehyde as a substrate (2.66 Å. The nicotinamide moiety of the coenzyme is disordered in two binary complexes, while it is ordered in the ternary complex, as well as in the binary complex obtained after additional soaking with the substrate. AlDHPyr1147 structures demonstrate the strengthening of the dimeric contact (as compared with the analogues and the concerted conformational flexibility of catalytic Cys287 and Glu253, as well as Leu254 and the nicotinamide moiety of the coenzyme. A comparison of the active sites of AlDHPyr1147 and dehydrogenases characterized earlier suggests that proton relay systems, which were previously proposed for dehydrogenases of this family, are blocked in AlDHPyr1147, and the proton release in the latter can occur through the substrate channel.

  6. Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins

    Energy Technology Data Exchange (ETDEWEB)

    McGrath, Denise A.; Fifield, Bre-Anne; Marceau, Aimee H.; Tripathi, Sarvind; Porter, Lisa A.; Rubin, Seth M. (UCSC); (Windsor)

    2017-06-30

    Cyclin-dependent kinases (Cdks) are principal drivers of cell division and are an important therapeutic target to inhibit aberrant proliferation. Cdk enzymatic activity is tightly controlled through cyclin interactions, posttranslational modifications, and binding of inhibitors such as the p27 tumor suppressor protein. Spy1/RINGO (Spy1) proteins bind and activate Cdk but are resistant to canonical regulatory mechanisms that establish cell-cycle checkpoints. Cancer cells exploit Spy1 to stimulate proliferation through inappropriate activation of Cdks, yet the mechanism is unknown. We have determined crystal structures of the Cdk2-Spy1 and p27-Cdk2-Spy1 complexes that reveal how Spy1 activates Cdk. We find that Spy1 confers structural changes to Cdk2 that obviate the requirement of Cdk activation loop phosphorylation. Spy1 lacks the cyclin-binding site that mediates p27 and substrate affinity, explaining why Cdk-Spy1 is poorly inhibited by p27 and lacks specificity for substrates with cyclin-docking sites. We identify mutations in Spy1 that ablate its ability to activate Cdk2 and to proliferate cells. Our structural description of Spy1 provides important mechanistic insights that may be utilized for targeting upregulated Spy1 in cancer.

  7. Trans-acting RNAs as molecular probes for monitoring time-dependent structural change of an RNA complex adapting two structures.

    Science.gov (United States)

    Maeda, Yuri; Furuta, Hiroyuki; Ikawa, Yoshiya

    2011-03-01

    As dynamic structural changes are pivotal for the functions of some classes of RNA molecule, it is important to develop methods to monitor structural changes in RNA in a time-dependent manner without chemical modification. Based on previous reports that trans-acting RNAs can be used as probes for analysis and control of 3D structures of target RNAs, we applied this method to monitor time-dependent structural changes in RNA. We designed and performed a proof-of-principle study using a simple model RNA complex that adopts two different structures as a target. The time-dependent structural changes in the target RNA were successfully monitored using two trans-acting RNAs, which stably form a ternary complex with the bimolecular target RNA and act as a catalyst to join two RNA fragments of the target complex, respectively. Copyright © 2010 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  8. Structural insights into lipid-dependent reversible dimerization of human GLTP

    International Nuclear Information System (INIS)

    Samygina, Valeria R.; Ochoa-Lizarralde, Borja; Popov, Alexander N.; Cabo-Bilbao, Aintzane; Goni-de-Cerio, Felipe; Molotkovsky, Julian G.; Patel, Dinshaw J.; Brown, Rhoderick E.; Malinina, Lucy

    2013-01-01

    It is shown that dimerization is promoted by glycolipid binding to human GLTP. The importance of dimer flexibility in wild-type protein is manifested by point mutation that ‘locks’ the dimer while diversifying ligand/protein adaptations. Human glycolipid transfer protein (hsGLTP) forms the prototypical GLTP fold and is characterized by a broad transfer selectivity for glycosphingolipids (GSLs). The GLTP mutation D48V near the ‘portal entrance’ of the glycolipid binding site has recently been shown to enhance selectivity for sulfatides (SFs) containing a long acyl chain. Here, nine novel crystal structures of hsGLTP and the SF-selective mutant complexed with short-acyl-chain monoSF and diSF in different crystal forms are reported in order to elucidate the potential functional roles of lipid-mediated homodimerization. In all crystal forms, the hsGLTP–SF complexes displayed homodimeric structures supported by similarly organized intermolecular interactions. The dimerization interface always involved the lipid sphingosine chain, the protein C-terminus (C-end) and α-helices 6 and 2, but the D48V mutant displayed a ‘locked’ dimer conformation compared with the hinge-like flexibility of wild-type dimers. Differences in contact angles, areas and residues at the dimer interfaces in the ‘flexible’ and ‘locked’ dimers revealed a potentially important role of the dimeric structure in the C-end conformation of hsGLTP and in the precise positioning of the key residue of the glycolipid recognition centre, His140. ΔY207 and ΔC-end deletion mutants, in which the C-end is shifted or truncated, showed an almost complete loss of transfer activity. The new structural insights suggest that ligand-dependent reversible dimerization plays a role in the function of human GLTP

  9. Sex dependence of the components and structure of urinary calculi induced by biphenyl administration in rats.

    Science.gov (United States)

    Ohnishi, M; Yajima, H; Yamamoto, S; Matsushima, T; Ishii, T

    2000-08-01

    To obtain definitive information about the mechanisms of urinary calculus formation and the structural characteristics of the calculi induced by biphenyl administration in rats, with a focus on the sex dependency, the constituents of the urinary calculi were analyzed by HPLC, inductively coupled plasma spectroscopy (ICP), micro Fourier transform infrared spectroscopy (mFT-IR), and ion chromatography (IC), and structural analyses were carried out by microscopy, mFT-IR, and the electron probe microanalyzer (EPMA) method. We attempted to account for the appreciably higher incidence of calculi in males than in females. mFT-IR analysis revealed that the biphenyl-induced urinary calculi in male rats are composed mainly of potassium 4-hydroxybiphenyl-o-sulfate (4-HBPOSK), whereas the calculi in female rats are composed mainly of 4-hydroxybiphenyl (4-HBP) and KHSO(4) produced by the hydrolysis of 4-HBPOSK. Observations of photomicrographs and the results of mFT-IR analysis indicated that the calculi in males have a multilayer structure consisting of alternating layers of 4-HBPOSK and calcium phosphate, whereas the calculi in females have no multilayer structure, but open holes in which needle-shaped crystals are present in some places. In view of the results of these analyses, including the EPMA analysis, it appears that calculus formation in males may involve a series of successive and irreversible reactions, whereas calculus formation in females may result from a series of reversible reactions, including the hydrolysis of 4-HBPOSK. It was inferred that the series of irreversible reactions involved in calculus formation in males is relatively more stable than that in the case of females, and thus, a sex difference in the reaction features may be responsible for the observed difference in the incidence of calculus formation.

  10. Aberrant default-mode functional and structural connectivity in heroin-dependent individuals.

    Directory of Open Access Journals (Sweden)

    Xiaofen Ma

    Full Text Available Little is known about connectivity within the default mode network (DMN in heroin-dependent individuals (HDIs. In the current study, diffusion-tensor imaging (DTI and resting-state functional MRI (rs-fMRI were combined to investigate both structural and functional connectivity within the DMN in HDIs.Fourteen HDIs and 14 controls participated in the study. Structural (path length, tracts count, (fractional anisotropy FA and (mean diffusivity MD derived from DTI tractographyand functional (temporal correlation coefficient derived from rs-fMRI DMN connectivity changes were examined in HDIs. Pearson correlation analysis was performed to compare the structural/functional indices and duration of heroin use/Iowa gambling task(IGT performance in HDIs.HDIs had lower FA and higher MD in the tract connecting the posterior cingulate cortex/precuneus (PCC/PCUN to right parahippocampal gyrus (PHG, compared to the controls. HDIs also had decreased FA and track count in the tract connecting the PCC/PCUN and medial prefrontal cortex (MPFC, as well as decreased functional connectivity between the PCC/PCUN and bilateral PHG and MPFC, compared to controls. FA values for the tract connecting PCC/PCUN to the right PHG and connecting PCC/PCUN to the MPFC were negatively correlated to the duration of heroin use. The temporal correlation coefficients between the PCC/PCUN and the MPFC, and the FA values for the tract connecting the PCC/PCUN to the MPFC were positively correlated to IGT performance in HDIs.Structural and functional connectivity within the DMN are both disturbed in HDIs. This disturbance progresses as duration of heroin use increases and is related to deficits in decision making in HDIs.

  11. Italianization Accomplished. Forms and Structures of Albanian Television’s Dependency on Italian Media and Culture

    Directory of Open Access Journals (Sweden)

    Paolo Carelli

    2014-06-01

    Full Text Available After the fall of the Berlin Wall and the end of communist regimes in 1989, national media systems of the Eastern European countries belonging to the Soviet bloc began a process of transformation along the way of liberalization and commercialization. In Albania, this process occurred in different phases, but with a common trend, that is the Italian television as a structural, economic and cultural model to inspire. In this article, I try to outline the deep influences and legacies between Italian and Albanian television systems (dating back to the last years of the regime showing how, despite a progressive sliding towards americanization, they remain a typical landmark of Albanian media. From the formats of the first programmes after the regime to the recent appearances of Italian Tv presenters (in particular, from Berlusconi's channels on Albanian private channels, we can observe a subtle but rooted and continuous dependency from the country on the other side of the Adriatic Sea.  

  12. Recent SLAC measurements of the spin dependent structure functions for the proton and neutron

    International Nuclear Information System (INIS)

    Zapalac, G.

    1995-09-01

    The authors present results from SLAC experiments E142 and E143 for the spin dependent structure functions of the proton g 1 p (x, Q 2 ) and neutron g 1 n (x,Q 2 ) measured in deep inelastic scattering of polarized electrons from a polarized target. Experiment E142 measures ∫ 0 1 g 1 n (x)dx = -0.022 ± 0.011 at 2 > = 2 (GeV/c) 2 using a polarized 3 He target. Experiment E143 measures ∫ 0 1 g 1 p (x)dx = 0.129 ± 0.011 at 2 > = 3 (GeV/c) 2 using a polarized NH 3 target. These results are combined at Q 2 = 3 (GeV/c) 2 to yield ∫ 0 1 [g 1 p (x) - g 1 n (x)]dx = 0.151 ± 0.015. The Bjorken sum rule predicts 0.171 ± 0.008

  13. On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

    International Nuclear Information System (INIS)

    Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

    1985-01-01

    Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

  14. Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain.

    Science.gov (United States)

    Li, Qufei; Wanderling, Sherry; Paduch, Marcin; Medovoy, David; Singharoy, Abhishek; McGreevy, Ryan; Villalba-Galea, Carlos A; Hulse, Raymond E; Roux, Benoît; Schulten, Klaus; Kossiakoff, Anthony; Perozo, Eduardo

    2014-03-01

    The transduction of transmembrane electric fields into protein motion has an essential role in the generation and propagation of cellular signals. Voltage-sensing domains (VSDs) carry out these functions through reorientations of positive charges in the S4 helix. Here, we determined crystal structures of the Ciona intestinalis VSD (Ci-VSD) in putatively active and resting conformations. S4 undergoes an ~5-Å displacement along its main axis, accompanied by an ~60° rotation. This movement is stabilized by an exchange in countercharge partners in helices S1 and S3 that generates an estimated net charge transfer of ~1 eo. Gating charges move relative to a ''hydrophobic gasket' that electrically divides intra- and extracellular compartments. EPR spectroscopy confirms the limited nature of S4 movement in a membrane environment. These results provide an explicit mechanism for voltage sensing and set the basis for electromechanical coupling in voltage-dependent enzymes and ion channels.

  15. Development of a Genetic Algorithm to Automate Clustering of a Dependency Structure Matrix

    Science.gov (United States)

    Rogers, James L.; Korte, John J.; Bilardo, Vincent J.

    2006-01-01

    Much technology assessment and organization design data exists in Microsoft Excel spreadsheets. Tools are needed to put this data into a form that can be used by design managers to make design decisions. One need is to cluster data that is highly coupled. Tools such as the Dependency Structure Matrix (DSM) and a Genetic Algorithm (GA) can be of great benefit. However, no tool currently combines the DSM and a GA to solve the clustering problem. This paper describes a new software tool that interfaces a GA written as an Excel macro with a DSM in spreadsheet format. The results of several test cases are included to demonstrate how well this new tool works.

  16. The temperature dependence of the static structure factor for liquid 4He below Tsub(lambda)

    International Nuclear Information System (INIS)

    Puoskari, M.; Kallio, A.; Pollari, P.

    1984-01-01

    The temperature dependence of the structure factor S(k,T) is studied based on an assumption that the anomalous behaviour of S(k,T) below Tsub(lambda) is due to thermally excited rotons and phonons. The calculation of S(k,T) is performed with the help of the HNC-equation from a model density matrix of Penrose which in turn is obtained from a quasiparticle Hamiltonian describing elementary excitations of liquid helium (both phonons and rotons). The results are in qualitative agreement with recent neutron and X-ray scattering experiments below Tsub(lambda). The theoretical temperature correction is used to deduce S(k,T=0) separately from the most recent X-ray and neutron scattering experiments. (Auth.)

  17. The Deuteron Spin-dependent Structure Function $g^{d}_1$ and its First Moment

    CERN Document Server

    Alexakhin, V.Yu.; Alexeev, G.D.; Alexeev, M.; Amoroso, A.; Balestra, F.; Ball, J.; Barth, J.; Baum, G.; Becker, M.; Bedfer, Y.; Bernet, C.; Bertini, R.; Bettinelli, M.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bressan, A.; Brona, G.; Burtin, E.; Bussa, M.P.; Bytchkov, V.N.; Chapiro, A.; Cicuttin, A.; Colantoni, M.; Colavita, A.A.; Costa, S.; Crespo, M.L.; d'Hose, N.; Dalla Torre, S.; Das, S.; Dasgupta, S.S.; De Masi, R.; Dedek, N.; Demchenko, D.; Denisov, O.Yu.; Dhara, L.; Diaz, V.; Dinkelbach, A.M.; Donskov, S.V.; Dorofeev, V.A.; Doshita, N.; Duic, V.; Dunnweber, W.; Efremov, A.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Fauland, P.; Ferrero, A.; Ferrero, L.; Finger, M.; M. Finger jr.; Fischer, H.; Franz, J.; Friedrich, J.M.; Frolov, V.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.P.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gobbo, B.; Goertz, S.; Gorin, A.M.; Grajek, O.A.; Grasso, A.; Grube, B.; Guskov, A.; Haas, F.; Hannappel, J.; von Harrach, D.; Hasegawa, T.; Hedicke, S.; Heinsius, F.H.; Hermann, R.; Hess, C.; Hinterberger, F.; von Hodenberg, M.; Horikawa, N.; Horikawa, S.; Horn, I.; Ilgner, C.; Ioukaev, A.I.; Ivanchin, I.; Ivanov, O.; Iwata, T.; Jahn, R.; Janata, A.; Joosten, R.; Jouravlev, N.I.; Kabuss, E.; Kang, D.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu. A.; Kisselev, Yu.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.H.; Kolosov, V.N.; Komissarov, E.V.; Kondo, K.; Konigsmann, K.; Konorov, I.; Konstantinov, V.F.; Korentchenko, A.S.; Korzenev, A.; Kotzinian, A.M.; Koutchinski, N.A.; Kouznetsov, O.; Kowalik, K.; Kramer, D.; Kravchuk, N.P.; Krivokhizhin, G.V.; Kroumchtein, Z.V.; Kubart, J.; Kuhn, R.; Kukhtin, V.; Kunne, F.; Kurek, K.; Ladygin, M.E.; Lamanna, M.; Le Goff, J.M.; Leberig, M.; Lednev, A.A.; Lehmann, A.; Lichtenstadt, J.; Liska, T.; Ludwig, I.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.K.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Masek, L.; Massmann, F.; Matsuda, T.; Matthia, D.; Maximov, A.N.; Meyer, W.; Mielech, A.; Mikhailov, Yu. V.; Moinester, M.A.; Nagel, T.; Nahle, O.; Nassalski, J.; Neliba, S.; Neyret, D.P.; Nikolaenko, V.I.; Nikolaev, K.; Nozdrin, A.A.; Obraztsov, V.F.; Olshevsky, A.G.; Ostrick, M.; Padee, A.; Pagano, P.; Panebianco, S.; Panzieri, D.; Paul, S.; Peshekhonov, D.V.; Peshekhonov, V.D.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.A.; Pontecorvo, G.; Popov, A.A.; Pretz, J.; Procureur, S.; Quintans, C.; Ramos, S.; Reicherz, G.; Rondio, E.; Rozhdestvensky, A.M.; Ryabchikov, D.; Samoylenko, V.D.; Sandacz, A.; Santos, H.; Sapozhnikov, M.G.; Savin, I.A.; Schiavon, P.; Schill, C.; Schmitt, L.; Schroeder, W.; Seeharsch, D.; Seimetz, M.; Setter, D.; Shevchenko, O.Yu.; Siebert, H.W.; Silva, L.; Sinha, L.; Sissakian, A.N.; Slunecka, M.; Smirnov, G.I.; Sozzi, F.; Srnka, A.; Stinzing, F.; Stolarski, M.; Sugonyaev, V.P.; Sulc, M.; Sulej, R.; Tchalishev, V.V.; Tessaro, S.; Tessarotto, F.; Teufel, A.; Tkatchev, L.G.; Trippel, S.; Venugopal, G.; Virius, M.; Vlassov, N.V.; Webb, R.; Weise, E.; Weitzel, Q.; Windmolders, R.; Wislicki, W.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Zhao, J.; Zvyagin, A.

    2007-01-01

    We present a measurement of the deuteron spin-dependent structure function g^d_1 based on the data collected by the COMPASS experiment at CERN during the years 2002-2004. The data provide an accurate evaluation for \\Gamma^d_1, the first moment of g^d_1(x), and for the matrix element of the singlet axial current, a_0. The results of QCD fits in the next to leading order (NLO) on all g1 deep inelastic scattering data are also presented. They provide two solutions with the gluon spin distribution function \\Delta_G positive or negative, which describe the data equally well. In both cases, at Q^2 = 3(GeV/c)^2 the first moment of \\Delta G is found to be of the order of 0:2 - 0:3 in absolute value.

  18. Dependency of {gamma}-secretase complex activity on the structural integrity of the bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hua, E-mail: hzhou2@lbl.gov [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Zhou, Shuxia; Walian, Peter J.; Jap, Bing K. [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States)

    2010-11-12

    Research highlights: {yields} Partial solubilization of membranes with CHAPSO can increase {gamma}-secretase activity. {yields} Completely solubilized {gamma}-secretase is inactive. {yields} Purified {gamma}-secretase regains activity after reconstitution into lipid bilayers. {yields} A broad range of detergents can be used to successfully reconstitute {gamma}-secretase. -- Abstract: {gamma}-secretase is a membrane protein complex associated with the production of A{beta} peptides that are pathogenic in Alzheimer's disease. We have characterized the activity of {gamma}-secretase complexes under a variety of detergent solubilization and reconstitution conditions, and the structural state of proteoliposomes by electron microscopy. We found that {gamma}-secretase activity is highly dependent on the physical state or integrity of the membrane bilayer - partial solubilization may increase activity while complete solubilization will abolish it. The activity of well-solubilized {gamma}-secretase can be restored to near native levels when properly reconstituted into a lipid bilayer environment.

  19. Time-dependent chemo-electro-mechanical behavior of hydrogel-based structures

    Science.gov (United States)

    Leichsenring, Peter; Wallmersperger, Thomas

    2018-03-01

    Charged hydrogels are ionic polymer gels and belong to the class of smart materials. These gels are multiphasic materials which consist of a solid phase, a fluid phase and an ionic phase. Due to the presence of bound charges these materials are stimuli-responsive to electrical or chemical loads. The application of electrical or chemical stimuli as well as mechanical loads lead to a viscoelastic response. On the macroscopic scale, the response is governed by a local reversible release or absorption of water which, in turn, leads to a local decrease or increase of mass and a respective volume change. Furthermore, the chemo-electro-mechanical equilibrium of a hydrogel depends on the chemical composition of the gel and the surrounding solution bath. Due to the presence of bound charges in the hydrogel, this system can be understood as an osmotic cell where differences in the concentration of mobile ions in the gel and solution domain lead to an osmotic pressure difference. In the present work, a continuum-based numerical model is presented in order to describe the time-dependent swelling behavior of hydrogels. The numerical model is based on the Theory of Porous Media and captures the fluid-solid, fluid-ion and ion-ion interactions. As a direct consequence of the chemo-electro-mechanical equilibrium, the corresponding boundary conditions are defined following the equilibrium conditions. For the interaction of the hydrogel with surrounding mechanical structures, also respective jump condtions are formulated. Finaly, numerical results of the time-dependent behavior of a hydrogel-based chemo-sensor will be presented.

  20. Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation.

    Science.gov (United States)

    Payne, Karl Ap; Quezada, Carolina P; Fisher, Karl; Dunstan, Mark S; Collins, Fraser A; Sjuts, Hanno; Levy, Colin; Hay, Sam; Rigby, Stephen Ej; Leys, David

    2015-01-22

    Organohalide chemistry underpins many industrial and agricultural processes, and a large proportion of environmental pollutants are organohalides. Nevertheless, organohalide chemistry is not exclusively of anthropogenic origin, with natural abiotic and biological processes contributing to the global halide cycle. Reductive dehalogenases are responsible for biological dehalogenation in organohalide respiring bacteria, with substrates including polychlorinated biphenyls or dioxins. Reductive dehalogenases form a distinct subfamily of cobalamin (B12)-dependent enzymes that are usually membrane associated and oxygen sensitive, hindering detailed studies. Here we report the characterization of a soluble, oxygen-tolerant reductive dehalogenase and, by combining structure determination with EPR (electron paramagnetic resonance) spectroscopy and simulation, show that a direct interaction between the cobalamin cobalt and the substrate halogen underpins catalysis. In contrast to the carbon-cobalt bond chemistry catalysed by the other cobalamin-dependent subfamilies, we propose that reductive dehalogenases achieve reduction of the organohalide substrate via halogen-cobalt bond formation. This presents a new model in both organohalide and cobalamin (bio)chemistry that will guide future exploitation of these enzymes in bioremediation or biocatalysis.

  1. Structural basis of the pH-dependent assembly of a botulinum neurotoxin complex.

    Science.gov (United States)

    Matsui, Tsutomu; Gu, Shenyan; Lam, Kwok-Ho; Carter, Lester G; Rummel, Andreas; Mathews, Irimpan I; Jin, Rongsheng

    2014-11-11

    Botulinum neurotoxins (BoNTs) are among the most poisonous biological substances known. They assemble with non-toxic non-hemagglutinin (NTNHA) protein to form the minimally functional progenitor toxin complexes (M-PTC), which protects BoNT in the gastrointestinal tract and releases it upon entry into the circulation. Here we provide molecular insight into the assembly between BoNT/A and NTNHA-A using small-angle X-ray scattering. We found that the free form BoNT/A maintains a pH-independent conformation with limited domain flexibility. Intriguingly, the free form NTNHA-A adopts pH-dependent conformational changes due to a torsional motion of its C-terminal domain. Once forming a complex at acidic pH, they each adopt a stable conformation that is similar to that observed in the crystal structure of the M-PTC. Our results suggest that assembly of the M-PTC depends on the environmental pH and that the complex form of BoNT/A is induced by interacting with NTNHA-A at acidic pH. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. A structural basis for the pH-dependent xanthophyll cycle in Arabidopsis thaliana.

    Science.gov (United States)

    Arnoux, Pascal; Morosinotto, Tomas; Saga, Giorgia; Bassi, Roberto; Pignol, David

    2009-07-01

    Plants adjust their photosynthetic activity to changing light conditions. A central regulation of photosynthesis depends on the xanthophyll cycle, in which the carotenoid violaxanthin is converted into zeaxanthin in strong light, thus activating the dissipation of the excess absorbed energy as heat and the scavenging of reactive oxygen species. Violaxanthin deepoxidase (VDE), the enzyme responsible for zeaxanthin synthesis, is activated by the acidification of the thylakoid lumen when photosynthetic electron transport exceeds the capacity of assimilatory reactions: at neutral pH, VDE is a soluble and inactive enzyme, whereas at acidic pH, it attaches to the thylakoid membrane where it binds its violaxanthin substrate. VDE also uses ascorbate as a cosubstrate with a pH-dependent Km that may reflect a preference for ascorbic acid. We determined the structures of the central lipocalin domain of VDE (VDEcd) at acidic and neutral pH. At neutral pH, VDEcd is monomeric with its active site occluded within a lipocalin barrel. Upon acidification, the barrel opens up and the enzyme appears as a dimer. A channel linking the two active sites of the dimer can harbor the entire carotenoid substrate and thus may permit the parallel deepoxidation of the two violaxanthin beta-ionone rings, making VDE an elegant example of the adaptation of an asymmetric enzyme to its symmetric substrate.

  3. Board leadership structure and firm performance: An examination of resource dependence role

    Directory of Open Access Journals (Sweden)

    Afzalur Rashid

    2011-01-01

    Full Text Available This study examines if the CEO duality influence the firm economic performance in Bangladesh and the moderating effects of board composition in the form of outside independent directors. While doing so, it examines the relationship between CEO duality and firm performance during the pre appointment of outside independent directors and post appointment of outside independent directors (the role of other corporate governance mechanism as moderating variable. The finding is that there is there is a negative (non-significant relationship between CEO duality and firm performance before appointment of outside independent directors in the board. However, independent leadership structure and firm performance is found to be positively related following the acquisition of resource (outside independent directors in the board supporting the ’resource dependence theory’. The findings of this study partially support the ’agency theory’ and ’resource dependence theory’ but do not support the stewardship theory. This study contributes to the literature on CEO duality in the context of less a developed country.

  4. A Structural Overview of RNA-Dependent RNA Polymerases from the Flaviviridae Family

    Directory of Open Access Journals (Sweden)

    Jiqin Wu

    2015-06-01

    Full Text Available RNA-dependent RNA polymerases (RdRPs from the Flaviviridae family are representatives of viral polymerases that carry out RNA synthesis through a de novo initiation mechanism. They share a ≈ 600-residue polymerase core that displays a canonical viral RdRP architecture resembling an encircled right hand with palm, fingers, and thumb domains surrounding the active site. Polymerase catalytic motifs A–E in the palm and motifs F/G in the fingers are shared by all viral RdRPs with sequence and/or structural conservations regardless of the mechanism of initiation. Different from RdRPs carrying out primer-dependent initiation, Flaviviridae and other de novo RdRPs utilize a priming element often integrated in the thumb domain to facilitate primer-independent initiation. Upon the transition to the elongation phase, this priming element needs to undergo currently unresolved conformational rearrangements to accommodate the growth of the template-product RNA duplex. In the genera of Flavivirus and Pestivirus, the polymerase module in the C-terminal part of the RdRP protein may be regulated in cis by the N-terminal region of the same polypeptide. Either being a methyltransferase in Flavivirus or a functionally unclarified module in Pestivirus, this region could play auxiliary roles for the canonical folding and/or the catalysis of the polymerase, through defined intra-molecular interactions.

  5. Substrate structure dependence of the growth modes of p-quaterphenyl thin films on gold

    International Nuclear Information System (INIS)

    Muellegger, S.; Mitsche, S.; Poelt, P.; Haenel, K.; Birkner, A.; Woell, C.; Winkler, A.

    2005-01-01

    The variably oriented crystallite surfaces of a recrystallized polycrystalline gold sample served as substrates for the investigation of the structure dependence of p-quaterphenyl (4P) thin film growth. The films were prepared in ultrahigh vacuum by organic molecular beam evaporation. Optical microscopy, scanning electron microscopy, combined with laterally resolved electron backscatter diffraction and scanning tunnelling microscopy have been applied to determine the correlation between the substrate surface structure and 4P film morphology. Crystallite surfaces consisting of (110) terraces favour highly anisotropic needle-like 4P growth with the needle orientation normal to the Au directions. Atomic steps on vicinal planes with narrow terraces (< 2 nm) can also induce anisotropy in the 4P thin film growth, in particular elongated 4P islands normal to the step direction. In contrast to that, a nearly isotropic distribution of the needle orientations is observed on Au grains terminated by highly symmetric (111) or (100) crystal planes. Additionally, patches of continuous 4P layers can be found on these surfaces. There is strong evidence that the 4P molecules within the needle-like crystallites are oriented parallel to the Au surface, whereas for the continuous layers the 4P molecules are oriented nearly upright on the surface

  6. The spin dependent structure function g1 of the deuteron and the proton

    International Nuclear Information System (INIS)

    Klostermann, L.

    1995-01-01

    This thesis presents a study on the spin structure of the nucleon, via deep inelastic scattering (DIS) of polarised nuons on polarised proton and deuterium targets. The work was done in the Spin Muon Collaboration (SMC) at CERN in Geneva. From the asymmetry in the scattering cross section for nucleon and lepton spins parallel and anti-parallel, one con determine the spin dependent structure function g 1 , which contains information on the quark and gluon spin distribution functions. The interpretation in the frame work of the quark parton model (QPM) of earlier results on g 1 p by the European Muon Collaboration (EMC), gave an indication that only a small fraction of the proton spin, compatible with zero, is carried by the spins of the constituent quarks. The SMC was set up to check this unexpected result with improved accuracy, and to combine measurements of g 1 p and g 1 d to test a fundamental sum rule in quantum chromodynamics (QCD), the Bjorken sum rule. (orig./WL)

  7. Valley-dependent band structure and valley polarization in periodically modulated graphene

    Science.gov (United States)

    Lu, Wei-Tao

    2016-08-01

    The valley-dependent energy band and transport property of graphene under a periodic magnetic-strained field are studied, where the time-reversal symmetry is broken and the valley degeneracy is lifted. The considered superlattice is composed of two different barriers, providing more degrees of freedom for engineering the electronic structure. The electrons near the K and K' valleys are dominated by different effective superlattices. It is found that the energy bands for both valleys are symmetric with respect to ky=-(AM+ξ AS) /4 under the symmetric superlattices. More finite-energy Dirac points, more prominent collimation behavior, and new crossing points are found for K' valley. The degenerate miniband near the K valley splits into two subminibands and produces a new band gap under the asymmetric superlattices. The velocity for the K' valley is greatly renormalized compared with the K valley, and so we can achieve a finite velocity for the K valley while the velocity for the K' valley is zero. Especially, the miniband and band gap could be manipulated independently, leading to an increase of the conductance. The characteristics of the band structure are reflected in the transmission spectra. The Dirac points and the crossing points appear as pronounced peaks in transmission. A remarkable valley polarization is obtained which is robust to the disorder and can be controlled by the strain, the period, and the voltage.

  8. Gender-dependence of bone structure and properties in adult osteogenesis imperfecta murine model.

    Science.gov (United States)

    Yao, Xiaomei; Carleton, Stephanie M; Kettle, Arin D; Melander, Jennifer; Phillips, Charlotte L; Wang, Yong

    2013-06-01

    Osteogenesis imperfecta (OI) is a dominant skeletal disorder characterized by bone fragility and deformities. Though the oim mouse model has been the most widely studied of the OI models, it has only recently been suggested to exhibit gender-dependent differences in bone mineralization. To characterize the impact of gender on the morphometry/ultra-structure, mechanical properties, and biochemical composition of oim bone on the congenic C57BL/J6 background, 4-month-old oim/oim, +/oim, and wild-type (wt) female and male tibiae were evaluated using micro-computed tomography, three-point bending, and Raman spectroscopy. Dramatic gender differences were evident in both cortical and trabecular bone morphological and geometric parameters. Male mice had inherently more bone and increased moment of inertia than genotype-matched female counterparts with corresponding increases in bone biomechanical strength. The primary influence of gender was structure/geometry in bone growth and mechanical properties, whereas the mineral/matrix composition and hydroxyproline content of bone were influenced primarily by the oim collagen mutation. This study provides evidence of the importance of gender in the evaluation and interpretation of potential therapeutic strategies when using mouse models of OI.

  9. Structure dependent antioxidant capacity of phlorotannins from Icelandic Fucus vesiculosus by UHPLC-DAD-ECD-QTOFMS.

    Science.gov (United States)

    Hermund, Ditte B; Plaza, Merichel; Turner, Charlotta; Jónsdóttir, Rosa; Kristinsson, Hordur G; Jacobsen, Charlotte; Nielsen, Kristian Fog

    2018-02-01

    Brown algae are rich in polyphenolic compounds, phlorotannins, which have been found to possess high in vitro antioxidant capacity, especially DPPH radical scavenging activity, due to the high number of hydroxyl groups. Whereas, the overall antioxidant capacity of brown algae extracts has been widely studied, the antioxidant capacity of individual phlorotannins has been rarely explored. The aim of this study was to determine the structure dependant antioxidant capacity of phlorotannins from Icelandic brown algae, Fucus vesiculosus. The antioxidant capacity of individual phlorotannins was determined by an on-line method using liquid chromatography and an electrochemical detector followed by quadrupole Time of Flight mass spectrometry (UHPLC-DAD-ECD-QTOFMS). Tentative structural elucidation of 13 phlorotannin isomers from EAF was obtained by LC-DAD-QTOFMS, ranging from 374 to 870Da. On-line determination of antioxidant capacity of the individual phlorotannins generally showed that low molecular phlorotannins exhibited higher antioxidant capacity and that the capacity decreased with polymerisation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Structural basis of PAM-dependent target DNA recognition by the Cas9 endonuclease.

    Science.gov (United States)

    Anders, Carolin; Niewoehner, Ole; Duerst, Alessia; Jinek, Martin

    2014-09-25

    The CRISPR-associated protein Cas9 is an RNA-guided endonuclease that cleaves double-stranded DNA bearing sequences complementary to a 20-nucleotide segment in the guide RNA. Cas9 has emerged as a versatile molecular tool for genome editing and gene expression control. RNA-guided DNA recognition and cleavage strictly require the presence of a protospacer adjacent motif (PAM) in the target DNA. Here we report a crystal structure of Streptococcus pyogenes Cas9 in complex with a single-molecule guide RNA and a target DNA containing a canonical 5'-NGG-3' PAM. The structure reveals that the PAM motif resides in a base-paired DNA duplex. The non-complementary strand GG dinucleotide is read out via major-groove interactions with conserved arginine residues from the carboxy-terminal domain of Cas9. Interactions with the minor groove of the PAM duplex and the phosphodiester group at the +1 position in the target DNA strand contribute to local strand separation immediately upstream of the PAM. These observations suggest a mechanism for PAM-dependent target DNA melting and RNA-DNA hybrid formation. Furthermore, this study establishes a framework for the rational engineering of Cas9 enzymes with novel PAM specificities.

  11. Amyloid–β peptides time-dependent structural modifications: AFM and voltammetric characterization

    Energy Technology Data Exchange (ETDEWEB)

    Enache, Teodor Adrian; Chiorcea-Paquim, Ana-Maria; Oliveira-Brett, Ana Maria, E-mail: brett@ci.uc.pt

    2016-07-05

    The human amyloid beta (Aβ) peptides, Aβ{sub 1-40} and Aβ{sub 1-42}, structural modifications, from soluble monomers to fully formed fibrils through intermediate structures, were investigated, and the results were compared with those obtained for the inverse Aβ{sub 40-1} and Aβ{sub 42-1}, mutant Aβ{sub 1-40}Phe{sup 10} and Aβ{sub 1-40}Nle{sup 35}, and rat Aβ{sub 1-40}Rat peptide sequences. The aggregation was followed at a slow rate, in chloride free media and room temperature, and revealed to be a sequence-structure process, dependent on the physicochemical properties of each Aβ peptide isoforms, and occurring at different rates and by different pathways. The fibrilization process was investigated by atomic force microscopy (AFM), via changes in the adsorption morphology from: (i) initially random coiled structures of ∼0.6 nm height, corresponding to the Aβ peptide monomers in random coil or in α-helix conformations, to (ii) aggregates and protofibrils of 1.5–6.0 nm height and (iii) two types of fibrils, corresponding to the Aβ peptide in a β-sheet configuration. The reactivity of the carbon electrode surface was considered. The hydrophobic surface induced rapid changes of the Aβ peptide conformations, and differences between the adsorbed fibrils, formed at the carbon surface (beaded, thin, <2.0 nm height) or in solution (long, smooth, thick, >2.0 nm height), were detected. Differential pulse voltammetry showed that, according to their primary structure, the Aβ peptides undergo oxidation in one or two steps, the first step corresponding to the tyrosine amino acids oxidation, and the second one to the histidine and methionine amino acids oxidation. The fibrilization process was electrochemically detected via the decrease of the Aβ peptide oxidation peak currents that occurred in a time dependent manner. - Highlights: • The Aβ peptide fibrilization process was followed by AFM and DP voltammetry. • The human Aβ{sub 1-40} and Aβ{sub 1

  12. Doping Experiments on Low-Dimensional Oxides and a Search for Unusual Magnetic Properties of MgAlB14

    International Nuclear Information System (INIS)

    Julienne Marie Hill

    2002-01-01

    Doping experiments on La 2 CuO 4 , Sr 2 CuO 3 and SrCu 2 (BO 3 ) 2 were performed with the intent of synthesizing new metallic low-=dimensional cuprate oxide compounds. Magnetic susceptibility χ(T) measurements on a polycrystalline La 2 CuO 4 sample chemically oxidized at room temperature in aqueous NaClO showed superconductivity with a superconducting transition temperature T c of 42.6 K and a Meissner fraction of 26%. They were unable to electrochemically oxidize La 2 CuO 4 in a nonaqueous solution of tetramethylammonium hydroxide (TMAOH) and methanol. Sr 2 CuO 3 was found to decompose upon exposure to air and water. Electron paramagnetic resonance, isothermal magnetization M(H), and χ(T) measurements on the primary decomposition product, Sr 2 Cu(OH) 6 , were consistent with a nearly isolated, spin S = 1/2, local moment model for the Cu +2 spins. From a fit of χ(T) by the Curie-Weiss law and of the M(H) isotherms by a modified Brillouin function, the weakly antiferromagnetic exchange interaction between adjacent Cu +2 spins in Sr 2 Cu(OH) 6 was found to be J/k B = 1.06(4) K. Doping studies on SrCu 2 (BO 3 ) 2 were inconclusive. χ(T) measurements on an undoped polycrystalline sample of SrCu 2 (BO 3 ) 2 , a sample treated with distilled water, and a sample treated with aqueous NaClO showed no qualitative differences between the samples. In addition, χ(T) and M(H, T) studies of the ultra-hard material MgAlB 14 were carried out in search of superconductivity or ferromagnetism in this compound. χ(T) measurements on a powder sample revealed temperature-independent diamagnetism from 1.8 K up to room temperature with a Curie-Weiss impurity concentration equivalent to ∼ 1 mol% of spin-1/2 ions. In contrast, M(H, T) data on hot pressed samples showed evidence of ferromagnetic transitions above ∼ 330 K. Scanning electron microscopy and Auger microprobe analysis of the hot pressed samples indicated that the observed ferromagnetism was likely due to Fe impurities

  13. Angle resolved photoemission study of Fermi surfaces and single-particle excitations of quasi-low dimensional materials

    Science.gov (United States)

    Gweon, Gey-Hong

    Using angle resolved photoemission spectroscopy (ARPES) as the main experimental tool and the single particle Green's function as the main theoretical tool, materials of various degrees of low dimensionality and different ground states are studied. The underlying theme of this thesis is that of one dimensional physics, which includes charge density waves (CDW's) and the Luttinger liquid (LL). The LL is the prime example of a lattice non-Fermi liquid (non-FL) and CDW fluctuations also give non-FL behaviors. Non-FL physics is an emerging paradigm of condensed matter physics. It is thought by some researchers that one dimensional LL behavior is a key element in solving the high temperature superconductivity problem. TiTe2 is a quasi-2 dimensional (quasi-2D) Fermi liquid (FL) material very well suited for ARPES lineshape studies. I report ARPES spectra at 300 K which show an unusual behavior of a peak moving through the Fermi energy (EF). I also report a good fit of the ARPES spectra at 25 K obtained by using a causal Green's function proposed by K. Matho. SmTe3 is a quasi-2D CDW material. The near EF ARPES spectra and intensity map reveal rich details of an anisotropic gap and imperfectly nested Fermi surface (FS) for a high temperature CDW. A simple model of imperfect nesting can be constructed from these data and predicts a CDW wavevector in very good agreement with the value known from electron diffraction. NaMo6O17 and KMo 6O17 are also quasi-2D CDW materials. The "hidden nesting" or "hidden 1 dimensionality" picture for the CDW is confirmed very well by our direct image of the FS. K0.3MoO3, the so-called "blue bronze," is a quasi-1 dimensional (quasi-1D) CDW material. Even in its metallic phase above the CDW transition temperature, its photoemission spectra show an anomalously weak intensity at EF and no clear metallic Fermi edge. I compare predictions of an LL model and a CDW fluctuation model regarding these aspects, and find that the LL scenario explains them

  14. Doping experiments on low-dimensional oxides and a search for unusual magnetic properties of magnesium aluminum boride

    Science.gov (United States)

    Hill, Julienne Marie

    Doping experiments on La2CuO4, Sr2CuO 3 and SrCu2(BO3)2 were performed with the intent of synthesizing new metallic low-dimensional cuprate oxide compounds. Magnetic susceptibility chi(T) measurements on a polycrystalline La 2CuO4 sample chemically oxidized at room temperature in aqueous NaClO showed superconductivity with a superconducting transition temperature Tc of 42.6 K and a Meissner fraction of 26%. We were unable to electrochemically oxidize La2CuO4 in a nonaqueous solution of tetramethylammonium hydroxide (TMAOH) and methanol. Sr2CuO 3 was found to decompose upon exposure to air and water. Electron paramagnetic resonance, isothermal magnetization M(H) and chi(T) measurements on the primary decomposition product, Sr2Cu(OH)6, were consistent with a nearly isolated, spin S = 1/2, local moment model for the Cu +2 spins. From a fit of chi(T) by the Curie-Weiss law and of the M(H) isotherms by a modified Brillouin function, the weakly antiferromagnetic exchange interaction between adjacent Cu+2 spins in Sr 2Cu(OH)6 was found to be J/kB = 1.06(4) K. Doping studies on SrCu2(BO3)2 were inconclusive. chi(T) measurements on an undoped polycrystalline sample of SrCu2(BO 3)2, a sample treated with distilled water, and a sample treated with aqueous NaClO showed no qualitative differences between the samples. In addition, chi(T) and M(H, T) studies of the ultra-hard material MgAlB14 were carried out in search of superconductivity or ferromagnetism in this compound. chi(T) measurements on a powder sample revealed temperature-independent diamagnetism from 1.8 K up to room temperature with a Curie-Weiss impurity concentration equivalent to ˜1 mol% of spin-1/2 ions. In contrast, M(H, T) data on hot pressed samples showed evidence of ferromagnetic transitions above ˜330 K. Scanning electron microscopy and Auger microprobe analysis of the hot pressed samples indicated that the observed ferromagnetism was likely due to Fe impurities.

  15. Dependence of surface morphology on molecular structure and its influence on the properties of OLEDs

    Energy Technology Data Exchange (ETDEWEB)

    Lim, S.H. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Ryu, G.Y. [Department of Electric Information and Control Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Seo, J.H.; Park, J.H. [Center for Organic Materials and Information Devices (COMID), Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Department of Information Display, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Youn, S.W. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Kim, Y.K. [Center for Organic Materials and Information Devices (COMID), Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Department of Information Display, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Shin, D.M. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of)], E-mail: shindm@wow.hongik.ac.kr

    2008-09-15

    Most organic light-emitting diodes (OLEDs) have a multilayer structure composed of organic layers such as a hole injection layer (HIL), a hole transport layer (HTL), an emission layer (EML), an electron transport layer (ETL) and an electron injection layer (EIL) sandwiched between two electrodes. The organic layers are thin solid films with a thickness from a few nano meters to a few tenths nano meter, respectively. Surface morphology of an organic thin solid film in OLEDs depends on the molecular structure of the organic material and has an affect on device performance. To analyze the effect of surface morphology of an organic thin solid film on fluorescence and electroluminescence (EL) properties, thin solid films of 4-(dicyanomethylene)-2-methyl-6-(julolidin-4-yl-vinyl)-4H-pyran (DCM2) and new red fluorophores, (2E,2'E)-3,3'-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2',5'-diyl] bis[2= -(2-thienyl)acrylonitrile] (ABCV-Th) and (2Z,2'Z)-3,3'-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2',5'-diyl] bis(2-phenylacrylonitrile) (ABCV-P) were investigated by atomic force microscopy (AFM). The samples for EL and AFM measurement were fabricated by the high-vacuum thermal deposition (8x10{sup -7} Torr) of organic materials onto the surface of indium tin oxide (ITO)-coated glass substrate, in which the layer structures of samples for AFM measurement and those for EL measurement were ITO/NPB (40 nm)/red emitters (80 nm) and ITO/NPB (40 nm)/red emitters (80 nm)/BCP (30 nm)/Liq (2 nm)/Al (100 nm), respectively. The analysis based on AFM measurements well supported that the photoluminescence properties and the device performance were very much dependent upon surface morphology of an organic thin layer.

  16. Annealing temperature dependence of the structures and properties of Co-implanted ZnO films

    International Nuclear Information System (INIS)

    Chen, Bin; Tang, Kun; Gu, Shulin; Ye, Jiandong; Huang, Shimin; Gu, Ran; Zhang, Yang; Yao, Zhengrong; Zhu, Shunming; Zheng, Youdou

    2014-01-01

    Highlights: • To avoid the forming of Co clusters and explore the origin of the magnetism, detailed investigation on the properties of the Co-implanted ZnO films with a rather low dose of 8 × 10 15 cm −2 and high implantation energy of 1 MeV were carried out. • The crystalline structure of the damaged region caused by ion-implantation has been recovered via the thermal annealing treatment at the temperature of 900 °C and above. • The low temperature magnetic hysteresis loops have indicated paramagnetism for the annealed films with weak ferromagnetic characteristics. • The zero-field cooling (ZFC) magnetization curves of the Co-implanted ZnO samples have varied from concave shape to convex one as the annealing temperature increased from 750 °C to 1000 °C. - Abstract: The effects of thermal annealing treatment on the structural, electrical, optical and magnetic properties of Co-implanted ZnO (0 0 0 1) films have been investigated in detail. The crystalline structure of the damaged region caused by ion implantation has been recovered via the thermal annealing at the temperature of 900 °C and above, and no Co clusters or its related oxide phases have been observed. The electrical and optical properties of the annealed films have shown strong dependence on the annealing temperature. The zero field cooling magnetization curves of the annealed films have varied from concave shape to convex one as the annealing temperature increased from 750 °C to 1000 °C, which are possibly tuned by the changes of the ratio of the itinerant carriers over the localized spin density. The low temperature magnetic hysteresis loops have indicated paramagnetic behavior for the annealed films with weak ferromagnetic characteristics. The ferromagnetism is attributed to the substituted Co 2+ ions and vacancy defects, while the paramagnetism could be induced by ionized interstitial Zn defects

  17. Composition dependence of the optical and structural properties of Eu-doped oxyfluoride glasses

    International Nuclear Information System (INIS)

    Zhu, Chaofeng; Wu, Dongqun; Zhang, Yanfei; Zhang, Meimei; Yue, Yuanzheng

    2015-01-01

    Highlights: • Eu doped oxyfluoride glasses for LED applications are studied. • Conversion of Eu 3+ to Eu 2+ is realized in the glasses prepared in air atmosphere. • CaF 2 crystals formed during melt cooling enhance the conversion of Eu 3+ to Eu 2+ . • Content of CaF 2 crystals can be controlled by adjusting base glass compositions. - Abstract: Europium doped oxyfluoride glasses were prepared by the melt quenching method for the light emitting diodes applications. The optical and structural properties of these glasses were studied by means of photoluminescence spectra, Commission Internationale de L’Eclairage chromaticity coordinates, X-ray diffraction, and Fourier transform infrared spectra. We find that the spontaneous reduction of Eu 3+ to Eu 2+ is realized by Eu 3+ ions occupying the sites of Ca 2+ in the glasses prepared in air atmosphere. The Eu 3+ to Eu 2+ conversion efficiency, optical performances and structure of the glasses strongly depend on the base glass compositions. For certain base glass compositions, CaF 2 crystals can form during the melt cooling process, and thereby enhance the conversion from Eu 3+ to Eu 2+ . The formation of CaF 2 crystals can be suppressed by adding CaO, Al 2 O 3 and B 2 O 3 , but enhanced by adding Na 2 O and K 2 O in glass compositions. Finally, we propose a mechanism to explain how the glass structure affects the reduction of Eu ions as well as optical properties of the glasses

  18. Carrier concentration dependence of structural disorder in thermoelectric Sn1−xTe

    Directory of Open Access Journals (Sweden)

    Mattia Sist

    2016-09-01

    Full Text Available SnTe is a promising thermoelectric and topological insulator material. Here, the presumably simple rock salt crystal structure of SnTe is studied comprehensively by means of high-resolution synchrotron single-crystal and powder X-ray diffraction from 20 to 800 K. Two samples with different carrier concentrations (sample A = high, sample B = low have remarkably different atomic displacement parameters, especially at low temperatures. Both samples contain significant numbers of cation vacancies (1–2% and ordering of Sn vacancies possibly occurs on warming, as corroborated by the appearance of multiple phases and strain above 400 K. The possible presence of disorder and anharmonicity is investigated in view of the low thermal conductivity of SnTe. Refinement of anharmonic Gram–Charlier parameters reveals marginal anharmonicity for sample A, whereas sample B exhibits anharmonic effects even at low temperature. For both samples, no indications are found of a low-temperature rhombohedral phase. Maximum entropy method (MEM calculations are carried out, including nuclear-weighted X-ray MEM calculations (NXMEM. The atomic electron densities are spherical for sample A, whereas for sample B the Te electron density is elongated along the 〈100〉 direction, with the maximum being displaced from the lattice position at higher temperatures. Overall, the crystal structure of SnTe is found to be defective and sample-dependent, and therefore theoretical calculations of perfect rock salt structures are not expected to predict the properties of real materials.

  19. Investigating the structural changes of uranium dioxide dependent on additives, Phase I - Uranium-oxide system from structural-phase aspect

    International Nuclear Information System (INIS)

    Manojlovic, Lj.

    1962-12-01

    Having in mind the complex structure of the system uranium-oxygen, and that experimental studies of this system lead to controversial conclusions, an extensive review and analysis of the papers published on this subject were needed. This review wold be very useful for interpreting the expected structural changes of the uranium dioxide dependent on the additives

  20. Spin-dependent structure functions of sea quarks in the framework of nonperturbative QCD and new Regge trajectory

    International Nuclear Information System (INIS)

    Dorokhov, A.E.; Kochelev, N.I.

    1991-01-01

    Within the model of QCD vacuum as an instanton liquid the spin-dependent structure functions of sea quarks are obtained. It is shown that the EMC data manages the definition of new Regge trajectory connected with the axial anomaly. The model explains the modern experimental data on the sea quark structure functions. 23 refs.; 3 figs

  1. Organotin compounds cause structure-dependent induction of progesterone in human choriocarcinoma Jar cells.

    Science.gov (United States)

    Hiromori, Youhei; Yui, Hiroki; Nishikawa, Jun-ichi; Nagase, Hisamitsu; Nakanishi, Tsuyoshi

    2016-01-01

    Organotin compounds, such as tributyltin (TBT) and triphenyltin (TPT), are typical environmental contaminants and suspected endocrine-disrupting chemicals because they cause masculinization in female mollusks. In addition, previous studies have suggested that the endocrine disruption by organotin compounds leads to activation of peroxisome proliferator-activated receptor (PPAR)γ and retinoid X receptor (RXR). However, whether organotin compounds cause crucial toxicities in human development and reproduction is unclear. We here investigated the structure-dependent effect of 12 tin compounds on mRNA transcription of 3β-hydroxysteroid dehydrogenase type I (3β-HSD I) and progesterone production in human choriocarcinoma Jar cells. TBT, TPT, dibutyltin, monophenyltin, tripropyltin, and tricyclohexyltin enhanced progesterone production in a dose-dependent fashion. Although tetraalkyltin compounds such as tetrabutyltin increased progesterone production, the concentrations necessary for activation were 30-100 times greater than those for trialkyltins. All tested active organotins increased 3β-HSD I mRNA transcription. We further investigated the correlation between the agonistic activity of organotin compounds on PPARγ and their ability to promote progesterone production. Except for DBTCl2, the active organotins significantly induced the transactivation function of PPARγ. In addition, PPARγ knockdown significantly suppressed the induction of mRNA transcription of 3β-HSD I by all active organotins except DBTCl2. These results suggest that some organotin compounds promote progesterone biosynthesis in vitro by inducing 3β-HSD I mRNA transcription via the PPARγ signaling pathway. The placenta represents a potential target organ for these compounds, whose endocrine-disrupting effects might cause local changes in progesterone concentration in pregnant women. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Effects of Neuromodulation on Excitatory-Inhibitory Neural Network Dynamics Depend on Network Connectivity Structure

    Science.gov (United States)

    Rich, Scott; Zochowski, Michal; Booth, Victoria

    2018-01-01

    Acetylcholine (ACh), one of the brain's most potent neuromodulators, can affect intrinsic neuron properties through blockade of an M-type potassium current. The effect of ACh on excitatory and inhibitory cells with this potassium channel modulates their membrane excitability, which in turn affects their tendency to synchronize in networks. Here, we study the resulting changes in dynamics in networks with inter-connected excitatory and inhibitory populations (E-I networks), which are ubiquitous in the brain. Utilizing biophysical models of E-I networks, we analyze how the network connectivity structure in terms of synaptic connectivity alters the influence of ACh on the generation of synchronous excitatory bursting. We investigate networks containing all combinations of excitatory and inhibitory cells with high (Type I properties) or low (Type II properties) modulatory tone. To vary network connectivity structure, we focus on the effects of the strengths of inter-connections between excitatory and inhibitory cells (E-I synapses and I-E synapses), and the strengths of intra-connections among excitatory cells (E-E synapses) and among inhibitory cells (I-I synapses). We show that the presence of ACh may or may not affect the generation of network synchrony depending on the network connectivity. Specifically, strong network inter-connectivity induces synchronous excitatory bursting regardless of the cellular propensity for synchronization, which aligns with predictions of the PING model. However, when a network's intra-connectivity dominates its inter-connectivity, the propensity for synchrony of either inhibitory or excitatory cells can determine the generation of network-wide bursting.

  3. Recombination-dependent replication and gene conversion homogenize repeat sequences and diversify plastid genome structure.

    Science.gov (United States)

    Ruhlman, Tracey A; Zhang, Jin; Blazier, John C; Sabir, Jamal S M; Jansen, Robert K

    2017-04-01

    There is a misinterpretation in the literature regarding the variable orientation of the small single copy region of plastid genomes (plastomes). The common phenomenon of small and large single copy inversion, hypothesized to occur through intramolecular recombination between inverted repeats (IR) in a circular, single unit-genome, in fact, more likely occurs through recombination-dependent replication (RDR) of linear plastome templates. If RDR can be primed through both intra- and intermolecular recombination, then this mechanism could not only create inversion isomers of so-called single copy regions, but also an array of alternative sequence arrangements. We used Illumina paired-end and PacBio single-molecule real-time (SMRT) sequences to characterize repeat structure in the plastome of Monsonia emarginata (Geraniaceae). We used OrgConv and inspected nucleotide alignments to infer ancestral nucleotides and identify gene conversion among repeats and mapped long (>1 kb) SMRT reads against the unit-genome assembly to identify alternative sequence arrangements. Although M. emarginata lacks the canonical IR, we found that large repeats (>1 kilobase; kb) represent ∼22% of the plastome nucleotide content. Among the largest repeats (>2 kb), we identified GC-biased gene conversion and mapping filtered, long SMRT reads to the M. emarginata unit-genome assembly revealed alternative, substoichiometric sequence arrangements. We offer a model based on RDR and gene conversion between long repeated sequences in the M. emarginata plastome and provide support that both intra-and intermolecular recombination between large repeats, particularly in repeat-rich plastomes, varies unit-genome structure while homogenizing the nucleotide sequence of repeats. © 2017 Botanical Society of America.

  4. Temperature dependence measurements and structural characterization of trimethyl ammonium ionic liquids with a highly polar solvent.

    Science.gov (United States)

    Attri, Pankaj; Venkatesu, Pannuru; Hofman, T

    2011-08-25

    We report the synthesis and characterization of a series of an ammonium ionic liquids (ILs) containing acetate, dihydrogen phosphate, and hydrogen sulfate anions with a common cation. To characterize the thermophysical properties of these newly synthesized ILs with the highly polar solvent N,N-dimethylformamide (DMF), precise measurements such as densities (ρ) and ultrasonic sound velocities (u) over the whole composition range have been performed at atmospheric pressure and over wide temperature ranges (25-50 °C). The excess molar volume (V(E)) and the deviation in isentropic compressibilities (Δκ(s)) were predicted using these temperature dependence properties as a function of the concentration of ILs. The Redlich-Kister polynomial was used to correlate the results. The ILs investigated in the present study included trimethylammonium acetate [(CH(3))(3)NH][CH(3)COO] (TMAA), trimethylammonium dihydrogen phosphate [(CH(3))(3)NH][H(2)PO(4)] (TMAP), and trimethylammonium hydrogen sulfate [(CH(3))(3)NH][HSO(4)] (TMAS). The intermolecular interactions and structural effects were analyzed on the basis of the measured and the derived properties. In addition, the hydrogen bonding between ILs and DMF has been demonstrated using semiempirical calculations with help of Hyperchem 7. A qualitative analysis of the results is discussed in terms of the ion-dipole, ion-pair interactions, and hydrogen bonding between ILs and DMF molecules and their structural factors. The influence of the anion of the protic IL, namely, acetate (CH(3)COO), dihydrogen phosphate (H(2)PO(4)), and hydrogen sulfate (HSO(4)), on the thermophysical properties is also provided. © 2011 American Chemical Society

  5. A direct method for soil-structure interaction analysis based on frequency-dependent soil masses

    International Nuclear Information System (INIS)

    Danisch, R.; Delinic, K.; Marti, J.; Trbojevic, V.M.

    1993-01-01

    In a soil-structure interaction analysis, the soil, as a subsystem of the global vibrating system, exerts a strong influence on the response of the nuclear reactor building to the earthquake excitation. The volume of resources required for dealing with the soil have led to a number of different types of frequency-domain solutions, most of them based on the impedance function approach. These procedures require coupling the soil to the lumped-mass finite-element model of the reactor building. In most practical cases, the global vibrating system is analysed in the time domain (i.e. modal time history, linear or non-linear direct time-integration). Hence, it follows that the frequency domain solution for soil must be converted to an 'equivalent' soil model in the time domain. Over the past three decades, different approaches have been developed and used for earthquake analysis of nuclear power plants. In some cases, difficulties experienced in modelling the soil have affected the methods of global analysis, thus leading to approaches like the substructuring technique, e.g. 3-step method. In the practical applications, the limitations of each specific method must be taken into account in order to avoid unrealistic results. The aim of this paper is to present the recent development on an equivalent SDOF system for soil including frequency-dependent soil masses. The method will be compared with the classical 3-step method. (author)

  6. Lipid- and temperature-dependent structural changes in Acholeplasma laidlawii cell membrances

    Energy Technology Data Exchange (ETDEWEB)

    James, R.; Branton, D.

    1973-01-01

    The lipids in cell membranes of Acholeplasma laidlawii were enriched with different fatty acids selected to produce membranes showing molecular motion discontinuities at temperatures between 10 and 35/sup 0/C. Molecular motion in these membranes was probed by ESR after labelling with 12-nitroxide stearate, and structure in these membranes was examined by electron microscopy after freeze-etching. Freeze-etching and electron microscopy showed that under certain conditions the particles in the A. laidlawii membranes aggregated, resulting in particle-rich and particle-depleted regions in the cell membrane. Depending upon the lipid content of the membrane, this aggregation could begin at temperatures well above the ESR-determined discontinuity. Aggregation increased with decreasing temperature but was completed at or near the discontinuity. However, cell membranes grown and maintained well below their ESR-determined discontinuity did not show maximum particle aggregation until after they had been exposed to temperatures at or above the discontinuity. The results show that temperatures at or near a phase transition temperature can induce aggregation of the membrane particles. This suggests that temperature-induced changes in the lipid phase of a biological membrane can induce phase separations which affect the topography of associated proteins.

  7. Recursive solution for dynamic response of one-dimensional structures with time-dependent boundary conditions

    International Nuclear Information System (INIS)

    Abadi, Mohammad Tahaye

    2015-01-01

    A recursive solution method is derived for the transient response of one-dimensional structures subjected to the general form of time dependent boundary conditions. Unlike previous solution methods that assumed the separation of variables, the present method involves formulating and solving the dynamic problems using the summation of two single-argument functions satisfying the motion equation. Based on boundary and initial conditions, a recursive procedure is derived to determine the single-argument functions. Such a procedure is applied to the general form of boundary conditions, and an analytical solution is derived by solving the recursive equation. The present solution method is implemented for base excitation problems, and the results are compared with those of the previous analytical solution and the Finite element (FE) analysis. The FE results converge to the present analytical solution, although considerable error is found in predicting a solution method on the basis of the separation of variables. The present analytical solution predicts the transient response for wave propagation problems in broadband excitation frequencies.

  8. Gamma oscillation maintains stimulus structure-dependent synchronization in cat visual cortex.

    Science.gov (United States)

    Samonds, Jason M; Bonds, A B

    2005-01-01

    Visual cortical cells demonstrate both oscillation and synchronization, although the underlying causes and functional significance of these behaviors remain uncertain. We simultaneously recorded single-unit activity with microelectrode arrays in supragranular layers of area 17 of cats paralyzed and anesthetized with propofol and N(2)O. Rate-normalized autocorrelograms of 24 cells reveal bursting (100%) and gamma oscillation (63%). Renewal density analysis, used to explore the source of oscillation, suggests a contribution from extrinsic influences such as feedback. However, a bursting refractory period, presumably membrane-based, could also encourage oscillatory firing. When we investigated the source of synchronization for 60 cell pairs we found only moderate correlation of synchrony with bursts and oscillation. We did, nonetheless, discover a possible functional role for oscillation. In all cases of cross-correlograms that exhibited oscillation, the strength of the synchrony was maintained throughout the stimulation period. When no oscillation was apparent, 75% of the cell pairs showed decay in their synchronization. The synchrony between cells is strongly dependent on similar response onset latencies. We therefore propose that structured input, which yields tight organization of latency, is a more likely candidate for the source of synchronization than oscillation. The reliable synchrony at response onset could be driven by spatial and temporal correlation of the stimulus that is preserved through the earlier stages of the visual system. Oscillation then contributes to maintenance of the synchrony to enhance reliable transmission of the information for higher cognitive processing.

  9. Recursive solution for dynamic response of one-dimensional structures with time-dependent boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Abadi, Mohammad Tahaye [Aerospace Research Institute, Tehran (Iran, Islamic Republic of)

    2015-10-15

    A recursive solution method is derived for the transient response of one-dimensional structures subjected to the general form of time dependent boundary conditions. Unlike previous solution methods that assumed the separation of variables, the present method involves formulating and solving the dynamic problems using the summation of two single-argument functions satisfying the motion equation. Based on boundary and initial conditions, a recursive procedure is derived to determine the single-argument functions. Such a procedure is applied to the general form of boundary conditions, and an analytical solution is derived by solving the recursive equation. The present solution method is implemented for base excitation problems, and the results are compared with those of the previous analytical solution and the Finite element (FE) analysis. The FE results converge to the present analytical solution, although considerable error is found in predicting a solution method on the basis of the separation of variables. The present analytical solution predicts the transient response for wave propagation problems in broadband excitation frequencies.

  10. Structural basis for the SOX-dependent genomic redistribution of OCT4 in stem cell differentiation.

    Science.gov (United States)

    Merino, Felipe; Ng, Calista Keow Leng; Veerapandian, Veeramohan; Schöler, Hans Robert; Jauch, Ralf; Cojocaru, Vlad

    2014-09-02

    In pluripotent cells, OCT4 associates with SOX2 to maintain pluripotency or with SOX17 to induce primitive endoderm commitment. The OCT4-SOX2 and OCT4-SOX17 combinations bind mutually exclusive to two distinct composite DNA elements, known as the "canonical" and "compressed" motifs, respectively. The structural basis for the OCT4-SOX17 cooperativity is unknown. Whereas SOX17 has been engineered to replace SOX2 in the pluripotency circuitry, all generated SOX2 mutants have failed to act like SOX17. From molecular simulations, we revealed the OCT4-SOX17 interaction interface and elucidated the SOX-dependent motif preference of OCT4. Moreover, we designed a SOX2 mutant that we predicted and confirmed experimentally to bind cooperatively with OCT4 to the compressed motif. Ultimately, we found a strong correlation between the experimental and calculated relative cooperative-binding free energies of 12 OCT4-SOX-DNA complexes. Therefore, we validated the OCT4-SOX interfaces and demonstrated that in silico design of DNA-binding cooperativity is suitable for altering transcriptional circuitries. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Functional Role of Cyclin-Dependent Kinase 5 in the Regulation of Melanogenesis and Epidermal Structure.

    Science.gov (United States)

    Dong, Changsheng; Yang, Shanshan; Fan, Ruiwen; Ji, Kaiyuan; Zhang, Junzhen; Liu, Xuexian; Hu, Shuaipeng; Xie, Jianshan; Liu, Yu; Gao, Wenjun; Wang, Haidong; Yao, Jianbo; Smith, George W; Herrid, Muren

    2017-10-23

    The mammalian integumentary system plays important roles in body homeostasis, and dysfunction of melanogenesis or epidermal development may lead to a variety of skin diseases, including melanoma. Skin pigmentation in humans and coat color in fleece-producing animals are regulated by many genes. Among them, microphthalmia-associated transcription factor (MITF) and paired-box 3 (PAX3) are at the top of the cascade and regulate activities of many important melanogenic enzymes. Here, we report for the first time that cyclin-dependent kinase 5 (Cdk5) is an essential regulator of MITF and PAX3. Cdk5 knockdown in mice causes a lightened coat color, a polarized distribution of melanin and hyperproliferation of basal keratinocytes. Reduced expression of Keratin 10 (K10) resulting from Cdk5 knockdown may be responsible for an abnormal epidermal structure. In contrast, overexpression of Cdk5 in sheep (Ovis aries) only produces brown patches on a white background, with no other observable abnormalities. Collectively, our findings show that Cdk5 has an important functional role in the regulation of melanin production and transportation and in normal development of the integumentary system.

  12. Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.

    Science.gov (United States)

    Menon, Binuraj R K; Latham, Jonathan; Dunstan, Mark S; Brandenburger, Eileen; Klemstein, Ulrike; Leys, David; Karthikeyan, Chinnan; Greaney, Michael F; Shepherd, Sarah A; Micklefield, Jason

    2016-10-04

    Flavin-dependent halogenase (Fl-Hal) enzymes have been shown to halogenate a range of synthetic as well as natural aromatic compounds. The exquisite regioselectively of Fl-Hal enzymes can provide halogenated building blocks which are inaccessible using standard halogenation chemistries. Consequently, Fl-Hal are potentially useful biocatalysts for the chemoenzymatic synthesis of pharmaceuticals and other valuable products, which are derived from haloaromatic precursors. However, the application of Fl-Hal enzymes, in vitro, has been hampered by their poor catalytic activity and lack of stability. To overcome these issues, we identified a thermophilic tryptophan halogenase (Th-Hal), which has significantly improved catalytic activity and stability, compared with other Fl-Hal characterised to date. When used in combination with a thermostable flavin reductase, Th-Hal can efficiently halogenate a number of aromatic substrates. X-ray crystal structures of Th-Hal, and the reductase partner (Th-Fre), provide insights into the factors that contribute to enzyme stability, which could guide the discovery and engineering of more robust and productive halogenase biocatalysts.

  13. Subdiffusive master equation with space-dependent anomalous exponent and structural instability

    Science.gov (United States)

    Fedotov, Sergei; Falconer, Steven

    2012-03-01

    We derive the fractional master equation with space-dependent anomalous exponent. We analyze the asymptotic behavior of the corresponding lattice model both analytically and by Monte Carlo simulation. We show that the subdiffusive fractional equations with constant anomalous exponent μ in a bounded domain [0,L] are not structurally stable with respect to the nonhomogeneous variations of parameter μ. In particular, the Gibbs-Boltzmann distribution is no longer the stationary solution of the fractional Fokker-Planck equation whatever the space variation of the exponent might be. We analyze the random distribution of μ in space and find that in the long-time limit, the probability distribution is highly intermediate in space and the behavior is completely dominated by very unlikely events. We show that subdiffusive fractional equations with the nonuniform random distribution of anomalous exponent is an illustration of a “Black Swan,” the low probability event of the small value of the anomalous exponent that completely dominates the long-time behavior of subdiffusive systems.

  14. From brittle to ductile: a structure dependent ductility of diamond nanothread.

    Science.gov (United States)

    Zhan, Haifei; Zhang, Gang; Tan, Vincent B C; Cheng, Yuan; Bell, John M; Zhang, Yong-Wei; Gu, Yuantong

    2016-06-07

    As a potential building block for the next generation of devices/multifunctional materials that are spreading in almost every technology sector, one-dimensional (1D) carbon nanomaterial has received intensive research interests. Recently, a new ultra-thin diamond nanothread (DNT) has joined this palette, which is a 1D structure with poly-benzene sections connected by Stone-Wales (SW) transformation defects. Using large-scale molecular dynamics simulations, we found that this sp(3) bonded DNT can transition from brittle to ductile behaviour by varying the length of the poly-benzene sections, suggesting that DNT possesses entirely different mechanical responses than other 1D carbon allotropes. Analogously, the SW defects behave like a grain boundary that interrupts the consistency of the poly-benzene sections. For a DNT with a fixed length, the yield strength fluctuates in the vicinity of a certain value and is independent of the "grain size". On the other hand, both yield strength and yield strain show a clear dependence on the total length of DNT, which is due to the fact that the failure of the DNT is dominated by the SW defects. Its highly tunable ductility together with its ultra-light density and high Young's modulus makes diamond nanothread ideal for the creation of extremely strong three-dimensional nano-architectures.

  15. Measurement of the spin-dependent structure-functions of the proton and the deuteron

    CERN Multimedia

    2002-01-01

    % NA47 %title \\\\ \\\\The physics motivation of the experiments of the Spin Muon Collaboration is to better understand how the nucleon spin is built-up by its partons and to test the fundamental Bjorken sum rule. \\\\ \\\\The spin-dependent structure functions $g _{1}(x)$ of the proton and the deuteron are determined from the measured cross section asymmetries for deep inelastic scattering of longitudinally polarized muons from longitudinally polarized nucleons. The experiment is similar to the NA2 one of the European Muon Collaboration in which the violation of the Ellis-Jaffe sum rule for the proton was found. \\\\ \\\\The apparatus is the upgraded forward spectrometer which was used originally by the European and New Muon Collaborations. To minimize the systematic uncertainties the target contains two oppositely polarized cells, which were exposed to the muon beam simultaneously. For the experiments in 1991 and 1992 the original EMC polarized target was reinstalled. In 1993 a new polarized target was put into operati...

  16. Experience-dependent plasticity in white matter microstructure: Reasoning training alters structural connectivity

    Directory of Open Access Journals (Sweden)

    Allyson P Mackey

    2012-08-01

    Full Text Available Diffusion tensor imaging (DTI techniques have made it possible to investigate white matter plasticity in humans. Changes in DTI measures, principally increases in fractional anisotropy (FA, have been observed following training programs as diverse as juggling, meditation, and working memory. Here, we sought to test whether three months of reasoning training could alter white matter microstructure. We recruited participants (n=23 who were enrolled in a course to prepare for the Law School Admission Test (LSAT, a test that places strong demands on reasoning skills, as well as age- and IQ-matched controls planning to take the LSAT in the future (n=22. DTI data were collected at two scan sessions scheduled three months apart. In trained participants but not controls, we observed decreases in radial diffusivity (RD in white matter connecting frontal cortices, and in mean diffusivity (MD within frontal and parietal lobe white matter. Further, participants exhibiting larger gains on the LSAT exhibited greater decreases in MD in the right internal capsule. In summary, reasoning training altered multiple measures of white matter structure in young adults. While the cellular underpinnings are unknown, these results provide evidence of experience-dependent white matter changes that may not be limited to myelination.

  17. A size dependent dynamic model for piezoelectric nanogenerators: effects of geometry, structural and environmental parameters

    Science.gov (United States)

    Sadeghzadeh, Sadegh; Farshad Mir Saeed Ghazi, Seyyed

    2018-03-01

    Piezoelectric Nanogenerator (PENG) is one of the novel energy harvester systems that recently, has been a subject of interest for researchers. By the use of nanogenerators, it’s possible to harvest different forms of energy in the environment like mechanical vibrations and generate electricity. The structure of a PENG consists of vertical arrays of nanowires between two electrodes. In this paper, dynamic analysis of a PENG is studied numerically. The modified couple stress theory which includes one length scale material parameter is used to study the size-dependent behavior of PENGs. Then, by application of a complete form of linear hybrid piezoelectric—pyroelectric equations, and using the Euler-Bernoulli beam model, the equations of motion has been derived. Generalized Differential Quadrature (GDQ) method was employed to solve the equations of motion. The effect of damping ratio, temperature rise, excitation frequency and length scale parameter was studied. It was found that the PENG voltage maximizes at the resonant frequency of nanowire. The temperature rise has a significant effect on PENG’s efficiency. When temperature increases about 10 {{K}}, the maximum voltage increases about 26%. Increasing the damping ratio, the maximum voltage decreases gradually.

  18. Activity-Dependent Exocytosis of Lysosomes Regulates the Structural Plasticity of Dendritic Spines.

    Science.gov (United States)

    Padamsey, Zahid; McGuinness, Lindsay; Bardo, Scott J; Reinhart, Marcia; Tong, Rudi; Hedegaard, Anne; Hart, Michael L; Emptage, Nigel J

    2017-01-04

    Lysosomes have traditionally been viewed as degradative organelles, although a growing body of evidence suggests that they can function as Ca 2+ stores. Here we examined the function of these stores in hippocampal pyramidal neurons. We found that back-propagating action potentials (bpAPs) could elicit Ca 2+ release from lysosomes in the dendrites. This Ca 2+ release triggered the fusion of lysosomes with the plasma membrane, resulting in the release of Cathepsin B. Cathepsin B increased the activity of matrix metalloproteinase 9 (MMP-9), an enzyme involved in extracellular matrix (ECM) remodelling and synaptic plasticity. Inhibition of either lysosomal Ca 2+ signaling or Cathepsin B release prevented the maintenance of dendritic spine growth induced by Hebbian activity. This impairment could be rescued by exogenous application of active MMP-9. Our findings suggest that activity-dependent exocytosis of Cathepsin B from lysosomes regulates the long-term structural plasticity of dendritic spines by triggering MMP-9 activation and ECM remodelling. Crown Copyright © 2017. Published by Elsevier Inc. All rights reserved.

  19. A structural view of ligand-dependent activation in thermoTRP channels

    Directory of Open Access Journals (Sweden)

    Ximena eSteinberg

    2014-05-01

    Full Text Available Transient Receptor Potential (TRP proteins are a large family of ion channels, grouped intoseven sub-families. Although great advances have been made regarding the activation andmodulation of TRP channel activity, detailed molecular mechanisms governing TRPchannel gating are still needed. Sensitive to electric, chemical, mechanical, and thermalcues, TRP channels are tightly associated with the detection and integration of sensoryinput, emerging as a model to study the polymodal activation of ion channel proteins.Among TRP channels, the temperature-activated kind constitute a subgroup by itself,formed by Vanilloid receptors 1-4, Melastatin receptors 2, 4, 5 and 8, TRPC5, and TRPA1.Some of the so-called thermoTRP channels participate in the detection of noxious stimulimaking them an interesting pharmacological target for the treatment of pain. However, thepoor specificity of the compounds available in the market represents an important obstacleto overcome. Understanding the molecular mechanics underlying ligand-dependentmodulation of TRP channels may help with the rational design of novel syntheticanalgesics. The present review focuses on the structural basis of ligand-dependentactivation of TRPV1 and TRPM8 channels. Special attention is drawn to the dissection ofligand-binding sites within TRPV1, PIP 2 -dependent modulation of TRP channels, and thestructure of natural and synthetic ligands.

  20. The Ownership Structure of Corporations: Political Connections from the Resource Dependence Perspective – A Theorical Essay

    Directory of Open Access Journals (Sweden)

    Nathanael Kusch Brey

    2011-12-01

    Full Text Available After the 90s, which heralded the era of privatization in Brazil, the government became a shareholder in various private companies. Government participation can interfere in the objectives, strategies and ultimately in the performance and survival of corporations. This paper aims to discuss this phenomenon and the importance of political connections in terms of ownership structure for an organization's survival. The objectives of governments as owners tend to conflict with those of other shareholders, because their goals tend to have more of a social and political element, which can lead to organizational deficiency in the performance of the company. One may come to believe that when a company has the government as a shareholder, its survival is ensured, as suggested by the theory of resource dependence, but this participation may in fact negatively affect the company's performance due to government objectives. This work proposes a way to mitigate the problem while ensuring the benefits of this connection with the government by reducing the stake of government in companies to minimum levels, which would reduce the risk of political interference.

  1. Angiotensin-I converting enzyme (ACE): structure, biological roles, and molecular basis for chloride ion dependence.

    Science.gov (United States)

    Masuyer, Geoffrey; Yates, Christopher J; Sturrock, Edward D; Acharya, K Ravi

    2014-10-01

    Somatic angiotensin-I converting enzyme (sACE) has an essential role in the regulation of blood pressure and electrolyte fluid homeostasis. It is a zinc protease that cleaves angiotensin-I (AngI), bradykinin, and a broad range of other signalling peptides. The enzyme activity is provided by two homologous domains (N- and C-), which display clear differences in substrate specificities and chloride activation. The presence of chloride ions in sACE and its unusual role in activity was identified early on in the characterisation of the enzyme. The molecular mechanisms of chloride activation have been investigated thoroughly through mutagenesis studies and shown to be substrate-dependent. Recent results from X-ray crystallography structural analysis have provided the basis for the intricate interactions between ACE, its substrate and chloride ions. Here we describe the role of chloride ions in human ACE and its physiological consequences. Insights into the chloride activation of the N- and C-domains could impact the design of improved domain-specific ACE inhibitors.

  2. Spatially dependent biotic and abiotic factors drive survivorship and physical structure of green roof vegetation.

    Science.gov (United States)

    Aloisio, Jason M; Palmer, Matthew I; Giampieri, Mario A; Tuininga, Amy R; Lewis, James D

    2017-01-01

    Plant survivorship depends on biotic and abiotic factors that vary at local and regional scales. This survivorship, in turn, has cascading effects on community composition and the physical structure of vegetation. Survivorship of native plant species is variable among populations planted in environmentally stressful habitats like urban roofs, but the degree to which factors at different spatial scales affect survivorship in urban systems is not well understood. We evaluated the effects of biotic and abiotic factors on survivorship, composition, and physical structure of two native perennial species assemblages, one characterized by a mixture of C 4 grasses and forbs (Hempstead Plains, HP) and one characterized by a mixture of C 3 grasses and forbs (Rocky Summit, RS), that were initially sown at equal ratios of growth forms (5:1:4; grass, N-fixing forb and non-N-fixing forb) in replicate 2-m 2 plots planted on 10 roofs in New York City (New York, USA). Of 24 000 installed plants, 40% survived 23 months after planting. Within-roof factors explained 71% of variation in survivorship, with biotic (species identity and assemblage) factors accounting for 54% of the overall variation, and abiotic (growing medium depth and plot location) factors explaining 17% of the variation. Among-roof factors explained 29% of variation in survivorship and increased solar radiation correlated with decreased survivorship. While growing medium properties (pH, nutrients, metals) differed among roofs there was no correlation with survivorship. Percent cover and sward height increased with increasing survivorship. At low survivorship, cover of the HP assemblage was greater compared to the RS assemblage. Sward height of the HP assemblage was about two times greater compared to the RS assemblage. These results highlight the effects of local biotic and regional abiotic drivers on community composition and physical structure of green roof vegetation. As a result, initial green roof plant

  3. On the profile of frequency and voltage dependent interface states and series resistance in MIS structures

    Energy Technology Data Exchange (ETDEWEB)

    Doekme, Ilbilge [Science Education Department, Faculty of Kirsehir Education, Gazi University, Kirsehir (Turkey)]. E-mail: ilbilgedokme@gazi.edu.tr; Altindal, Semsettin [Physics Department, Faculty of Arts and Sciences, Gazi University, 06500, Teknikokullar, Ankara (Turkey)

    2007-04-30

    The variation in the capacitance-voltage (C-V) and conductance-voltage (G/{omega}-V) characteristics of Au/SiO{sub 2}/n-Si metal-insulator-semiconductor (MIS) structure have been systematically investigated as a function of frequencies in the frequency range 0.5 kHz-10 MHz at room temperature. In addition, the forward and reverse bias current-voltage (I-V) characteristics of this structure were measured at room temperature. The high value of ideality factor was attributed to the high density of interface states localized at Si/SiO{sub 2} interface and interfacial oxide layer. The density of interface states (N{sub ss}) and the series resistance (R{sub ss}) were calculated from I-V and C-V measurements using different methods and the effect of them on C-V and G/{omega}-V characteristics were deeply researched. At the same energy position near the top of valance band, the calculated N{sub ss} values, obtained without taking into account the series resistance of the devices almost one order of magnitude larger than N{sub ss} values obtained by taking into account R{sub ss} values. It is found that the C-V and G/{omega}-V curves exhibit a peak at low frequencies and the peak values of C and G/{omega} decrease with increasing frequency. Also, the plots of R {sub s} as a function of bias give two peaks in the certain voltage range at low frequencies. These observations indicate that at low frequencies, the charges at interface states can easily follow an AC signal and the number of them increases with decreasing frequency. The I-V, C-V and G/{omega}-V characteristics of the MIS structure are affected not only with R {sub s} but also N {sub ss}. Experimental results show that both the R{sub s} and C{sub o} values should be taken into account in determining frequency-dependent electrical characteristics.

  4. NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study

    Science.gov (United States)

    Dikmen, Gökhan; Alver, Özgür; Parlak, Cemal

    2018-04-01

    Solvent dependent structural properties of 4-carboxy phenylboronic acid (4-cpba) were investigated by X-ray diffraction (XRD) and nuclear magnetic resonance (NMR) spectroscopic methods. The molecular structure and geometric parameters were determined by some computational methods such as B3LYP/6-31 + G(3df,p), HF/aug-cc-pvtz and MP2/6-31G(d). Detailed elucidation of the structural and spectroscopic properties of 4-cpba was carried out with 1H, HETCOR and DOSY NMR experiments. Solvent effects on the structural properties were monitored on the changes of 1H NMR spectra by using various solvents and it was observed that 4-cpba shows serious structural preferences depending on the solvent used.

  5. Population Structures in Russia: Optimality and Dependence on Parameters of Global Evolution

    Directory of Open Access Journals (Sweden)

    Yuri Yegorov

    2016-07-01

    Full Text Available The paper is devoted to analytical investigation of the division of geographical space into urban and rural areas with application to Russia. Yegorov (2005, 2006, 2009 has suggested the role of population density on economics. A city has an attractive potential based on scale economies. The optimal city size depends on the balance between its attractive potential and the cost of living that can be approximated by equilibrium land rent and commuting cost. For moderate scale effects optimal population of a city depends negatively on transport costs that are related positively with energy price index. The optimal agricultural density of population can also be constructed. The larger is a land slot per peasant, the higher will be the output from one unit of his labour force applied to this slot. But at the same time, larger farm size results in increase of energy costs, related to land development, collecting the crop and bringing it to the market. In the last 10 years we have observed substantial rise of both food and energy prices at the world stock markets. However, the income of farmers did not grow as fast as food price index. This can shift optimal rural population density to lower level, causing migration to cities (and we observe this tendency globally. Any change in those prices results in suboptimality of existing spatial structures. If changes are slow, the optimal infrastructure can be adjusted by simple migration. If the shocks are high, adaptation may be impossible and shock will persist. This took place in early 1990es in the former USSR, where after transition to world price for oil in domestic markets existing spatial infrastructure became suboptimal and resulted in persistent crisis, leading to deterioration of both industry and agriculture. Russia is the largest country but this is also its problem. Having large resource endowment per capita, it is problematic to build sufficient infrastructure. Russia has too low population

  6. Spin-dependent exciton-exciton interaction potential in two- and three-dimensional structure semiconductors under excitation

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hoang Ngoc Cam; Nguyen Trung Dan

    1990-08-01

    Analytical expressions of the exciton-exciton interaction potentials have been approximately derived in both 2D and 3D structure materials exhibiting explicit dependences on exciton momentum difference, momentum transfer, electron-hole effective mass ratio and two-exciton state spin symmetry. Numerical calculations show that the character of the exciton-exciton interaction is determined by all of the above-mentioned dependences. (author). 32 refs, 7 figs

  7. The etiological structure of diseases in frequently ill children depending on age

    Directory of Open Access Journals (Sweden)

    A. S. Levina

    2017-01-01

    Full Text Available The urgency of the problem of frequently ill children is associated with a significant number of patients who can be assigned to this category. Objective: to present the nosological and etiological structure of diseases in frequently ill children depending on age.Subjects and methods. 243 children aged 1 to 17 years with recurrent respiratory infections were followed up. The children were examined using routine clinical, laboratory, and instrumental examinations. The etiological diagnosisincluded bacteriological examination of the upperrespiratory tract microflora; determination of IgM and IgG antibodies against Chlamydophila pneumoniae, Mycoplasma pneumoniae, Epstein–Barr virus(EBV, and cytomegalovirus(CMV in blood by enzyme immunoassay and that of Chlamydia and Mycoplasma DNA in pharyngealswabs and that of CMV, EBV and human herpesvirustype 6 DNA in blood by polymerase chain reaction.Results. Recurrentrespiratory diseases were found to be associated with herpesvirusinfection in 75% of the children aged 1 to 6 years, with Streptococcus, Mycoplasma, and Chlamydia infections in 16, 10, and 4% of those aged 3 to 6 years, respectively, and to be accompanied by abnormal lymphoid tissue proliferation in 84% of the children aged 3 to 6 years, with the abundant growth of bacterial opportunistic pathogensin one half of the patients. Despite the continuing importance of infectious agents(herpesviruses and streptococci in 29 and 20%, respectively, the chronically ill school-aged children displayed a high incidence of somatic diseases: chronic tonsillitis (43% and chronic sinusitis (14% in children aged older than 12 years and allergic rhinitis (23% in those aged 7 to 17 years. The symptoms of autonomic vascular dystonia were observed in 21% of the patients; cardiac arrhythmias were diagnosed in 14%. 

  8. Structural plasticity mediates distinct GAP-dependent GTP hydrolysis mechanisms in Rab33 and Rab5.

    Science.gov (United States)

    Majumdar, Soneya; Acharya, Abhishek; Prakash, Balaji

    2017-12-01

    The classical GTP hydrolysis mechanism, as seen in Ras, employs a catalytic glutamine provided in cis by the GTPase and an arginine supplied in trans by a GTPase activating protein (GAP). The key idea emergent from a large body of research on small GTPases is that GTPases employ a variety of different hydrolysis mechanisms; evidently, these variations permit diverse rates of GTPase inactivation, crucial for temporal regulation of different biological processes. Recently, we unified these variations and argued that a steric clash between active site residues (corresponding to positions 12 and 61 of Ras) governs whether a GTPase utilizes the cis-Gln or the trans-Gln (from the GAP) for catalysis. As the cis-Gln encounters a steric clash, the Rab GTPases employ the so-called dual finger mechanism where the interacting GAP supplies a trans-Gln for catalysis. Using experimental and computational methods, we demonstrate how the cis-Gln of Rab33 overcomes the steric clash when it is stabilized by a residue in the vicinity. In effect, this demonstrates how both cis-Gln- and trans-Gln-mediated mechanisms could operate in the same GTPase in different contexts, i.e. depending on the GAP that regulates its action. Interestingly, in the case of Rab5, which possesses a higher intrinsic GTP hydrolysis rate, a similar stabilization of the cis-Gln appears to overcome the steric clash. Taken together with the mechanisms seen for Rab1, it is evident that the observed variations in Rab and their GAP partners allow structural plasticity, or in other words, the choice of different catalytic mechanisms. © 2017 Federation of European Biochemical Societies.

  9. Temperature-dependent structural changes in intrinsically disordered proteins: formation of alpha-helices or loss of polyproline II?

    DEFF Research Database (Denmark)

    Kjærgaard, Magnus; Nørholm, Ann-Beth; Hendus-Altenburger, Ruth

    2010-01-01

    temperature, which most likely reflects formation of transient alpha-helices or loss of polyproline II (PPII) content. Using three IDPs, ACTR, NHE1, and Spd1, we show that the temperature-induced structural change is common among IDPs and is accompanied by a contraction of the conformational ensemble...... with increasing temperature, and accordingly these were not responsible for the change in the CD spectra. In contrast, the nonhelical regions exhibited a general temperature-dependent structural change that was independent of long-range interactions. The temperature-dependent CD spectroscopic signature of IDPs...

  10. Structure of Cost of Equity as the Dependence on the Corporate- and Market Life Cycle

    Directory of Open Access Journals (Sweden)

    Zdeněk Konečný

    2013-10-01

    Full Text Available Purpose of the article: Companies, like all living creatures, goes through their life cycle, which includes some partial phases. Each of these phases is specific. Depending up the corporate life cycle, there are changed managerial decisions, that have an considerable influence, among others, on financial indicators like liquidity (current ratio, quick ratio, cash ratio, return (on investment, assets, equity, sales, economic value added, or cost of capital. The purpose of this article is to show relations between corporate life cycle and the structure of cost of equity. Furthermore, there will be, besides the corporate life cycle, considered also the market life cycle and market positions, that can companies hold on the market, on which they are acting. Methodology/methods: There is used a method, based on the analysis of secondary data, gotten from financial statements of selected companies and from statistical and analytical documents, published by Czech Ministry of Industry and Trade. There are selected 39 companies, acting on the czech market with motor vehicles production. The data are gathered for periods from 2002 up to 2010. There is used a model by Reiners (2004 to identify phases of corporate- and market life cycle and market positions. For finding out the structure of cost of equity there is used the constructional model by Czech Ministry of Industry and Trade. Scientific aim: The selected companies are divided into groups with considering different phases of their life cycle and with considering their different market positions. There are for each period found out numbers of companies from these groups, that reached the minimal value, the value within the interval and maximal value of all risk rewards, that are, besides the riskless rate, components of cost of equity. Findings: The greatest part of cost of equity, reached on the market, is the riskless rate. Other components (and their shares on the cost of equity

  11. Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)

    2007-09-15

    The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.

  12. Evolution of spin-dependent structure functions from DGLAP equations in leading order and next to leading order

    International Nuclear Information System (INIS)

    Baishya, R.; Jamil, U.; Sarma, J. K.

    2009-01-01

    In this paper the spin-dependent singlet and nonsinglet structure functions have been obtained by solving Dokshitzer, Gribov, Lipatov, Altarelli, Parisi evolution equations in leading order and next to leading order in the small x limit. Here we have used Taylor series expansion and then the method of characteristics to solve the evolution equations. We have also calculated t and x evolutions of deuteron structure functions, and the results are compared with the SLAC E-143 Collaboration data.

  13. Surface-structure dependence of water-related adsorbates on platinum

    NARCIS (Netherlands)

    Badan, C.

    2016-01-01

    Today, the energy sector is highly dependent on heterogeneous catalysis because a future solution to end our dependency on natural sources lies in generating hydrogen by splitting water. Several transition metals, such as Pt, are known to be good catalyst materials for water splitting reactions.

  14. Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

    Science.gov (United States)

    ShunLi Shang; Louis G. Hector Jr.; Paul Saxe; Zi-Kui Liu; Robert J. Moon; Pablo D. Zavattieri

    2014-01-01

    Anisotropy and temperature dependence of structural, thermodynamic and elastic properties of crystalline cellulose Iβ were computed with first-principles density functional theory (DFT) and a semi-empirical correction for van der Waals interactions. Specifically, we report the computed temperature variation (up to 500...

  15. CALCULATED TEMPERATURE RISE AND THERMAL ELONGATION OF STRUCTURAL COMPONENTS, DEPENDING ON ACTION INTEGRAL OF INJECTED LIGHTNING CURRENTS

    DEFF Research Database (Denmark)

    Madsen, Søren Find

    2005-01-01

    expressions established, accounts for the geometry of the structure (round conductor, rectangular cross section, pipe, plane sheet, etc), the material properties (Aluminum, Copper, Carbon Fiber Composites, etc.), the frequency of the current (skin depth) and the Specific Energy (Action Integral). For linear...... structures (wires, bars etc.), the result is the resistance of the structure, the final temperature, and the thermal elongation depending on geometry and material properties. Regarding arc injection in the centre of plane specimens the equations enables calculation of the temperature as a function...

  16. Crash simulation of hybrid structures considering the stress and strain rate dependent material behavior of thermoplastic materials

    Science.gov (United States)

    Hopmann, Ch.; Schöngart, M.; Weber, M.; Klein, J.

    2015-05-01

    Thermoplastic materials are more and more used as a light weight replacement for metal, especially in the automotive industry. Since these materials do not provide the mechanical properties, which are required to manufacture supporting elements like an auto body or a cross bearer, plastics are combined with metals in so called hybrid structures. Normally, the plastics components are joined to the metal structures using different technologies like welding or screwing. Very often, the hybrid structures are made of flat metal parts, which are stiffened by a reinforcement structure made of thermoplastic materials. The loads on these structures are very often impulsive, for example in the crash situation of an automobile. Due to the large stiffness variation of metal and thermoplastic materials, complex states of stress and very high local strain rates occur in the contact zone under impact conditions. Since the mechanical behavior of thermoplastic materials is highly dependent on these types of load, the crash failure of metal plastic hybrid parts is very complex. The problem is that the normally used strain rate dependent elastic/plastic material models are not capable to simulate the mechanical behavior of thermoplastic materials depended on the state of stress. As part of a research project, a method to simulate the mechanical behavior of hybrid structures under impact conditions is developed at the IKV. For this purpose, a specimen for the measurement of mechanical properties dependet on the state of stress and a method for the strain rate depended characterization of thermoplastic materials were developed. In the second step impact testing is performed. A hybrid structure made from a metal sheet and a reinforcement structure of a Polybutylenterephthalat Polycarbonate blend is tested under impact conditions. The measured stress and strain rate depended material data are used to simulate the mechanical behavior of the hybrid structure under highly dynamic load with

  17. Assessment of variability in the hydrological cycle of the Loess Plateau, China: examining dependence structures of hydrological processes

    Science.gov (United States)

    Guo, A.; Wang, Y.

    2017-12-01

    Investigating variability in dependence structures of hydrological processes is of critical importance for developing an understanding of mechanisms of hydrological cycles in changing environments. In focusing on this topic, present work involves the following: (1) identifying and eliminating serial correlation and conditional heteroscedasticity in monthly streamflow (Q), precipitation (P) and potential evapotranspiration (PE) series using the ARMA-GARCH model (ARMA: autoregressive moving average; GARCH: generalized autoregressive conditional heteroscedasticity); (2) describing dependence structures of hydrological processes using partial copula coupled with the ARMA-GARCH model and identifying their variability via copula-based likelihood-ratio test method; and (3) determining conditional probability of annual Q under different climate scenarios on account of above results. This framework enables us to depict hydrological variables in the presence of conditional heteroscedasticity and to examine dependence structures of hydrological processes while excluding the influence of covariates by using partial copula-based ARMA-GARCH model. Eight major catchments across the Loess Plateau (LP) are used as study regions. Results indicate that (1) The occurrence of change points in dependence structures of Q and P (PE) varies across the LP. Change points of P-PE dependence structures in all regions almost fully correspond to the initiation of global warming, i.e., the early 1980s. (3) Conditional probabilities of annual Q under various P and PE scenarios are estimated from the 3-dimensional joint distribution of (Q, P and PE) based on the above change points. These findings shed light on mechanisms of the hydrological cycle and can guide water supply planning and management, particularly in changing environments.

  18. Polymorphism of fibrillar structures depending on the size of assembled Aβ17-42 peptides

    Science.gov (United States)

    Cheon, Mookyung; Kang, Mooseok; Chang, Iksoo

    2016-01-01

    The size of assembled Aβ17-42 peptides can determine polymorphism during oligomerization and fibrillization, but the mechanism of this effect is unknown. Starting from separate random monomers, various fibrillar oligomers with distinct structural characteristics were identified using discontinuous molecular dynamics simulations based on a coarse-grained protein model. From the structures observed in the simulations, two characteristic oligomer sizes emerged, trimer and paranuclei, which generated distinct structural patterns during fibrillization. A majority of the simulations for trimers and tetramers formed non-fibrillar oligomers, which primarily progress to off-pathway oligomers. Pentamers and hexamers were significantly converted into U-shape fibrillar structures, meaning that these oligomers, called paranuclei, might be potent on-pathway intermediates in fibril formation. Fibrillar oligomers larger than hexamers generated substantial polymorphism in which hybrid structures were readily formed and homogeneous fibrillar structures appeared infrequently. PMID:27901087

  19. Structure of Hordeum vulgare NADPH-dependent thioredoxin reductase 2. Unwinding the reaction mechanism

    DEFF Research Database (Denmark)

    Kirkensgaard, Kristine Groth; Hägglund, Per; Finnie, Christine

    2009-01-01

    to the active form. Here, the first crystal structure of a cereal NTR, HvNTR2 from Hordeum vulgare (barley), is presented, which is also the first structure of a monocot plant NTR. The structure was determined at 2.6 A resolution and refined to an R (cryst) of 19.0% and an R (free) of 23.8%. The dimeric protein...

  20. On the twist-2 and twist-3 contributions to the spin-dependent electroweak structure functions

    International Nuclear Information System (INIS)

    Bluemlein, J.; Kochelev, N.

    1997-01-01

    The twist-2 and twist-3 contributions of the polarized deep-inelastic structure functions are calculated both for neutral and charged current interactions using the operator product expansion in lowest order in QCD. The relations between the different structure functions are determined. New integral relations are derived between the twist-2 contributions of the structure functions g 3 (x,Q 2 ) and g 5 (x,Q 2 ) and between combinations of the twist-3 contributions to the structure functions g 2 (x,Q 2 ) and g 3 (x,Q 2 ). The sum rules for polarized deep-inelastic scattering are discussed in detail. (orig.)

  1. Fine structural dependence of ultraviolet reflections in the King Penguin beak horn.

    Science.gov (United States)

    Dresp, Birgitta; Langley, Keith

    2006-03-01

    The visual perception of many birds extends into the near-ultraviolet (UV) spectrum and ultraviolet is used by some to communicate. The beak horn of the King Penguin (Aptenodytes patagonicus) intensely reflects in the ultraviolet and this appears to be implicated in partner choice. In a preliminary study, we recently demonstrated that this ultraviolet reflectance has a structural basis, resulting from crystal-like photonic structures, capable of reflecting in the near-UV. The present study attempted to define the origin of the photonic elements that produce the UV reflectance and to better understand how the UV signal is optimized by their fine structure. Using light and electron microscopic analysis combined with new spectrophotometric data, we describe here in detail the fine structure of the entire King Penguin beak horn in addition to that of its photonic crystals. The data obtained reveal a one-dimensional structural periodicity within this tissue and demonstrate a direct relationship between its fine structure and its function. In addition, they suggest how the photonic structures are produced and how they are stabilized. The measured lattice dimensions of the photonic crystals, together with morphological data on its composition, permit predictions of the wavelength of reflected light. These correlate well with experimentally observed values. The way the UV signal is optimized by the fine structure of the beak tissue is discussed with regard to its putative biological role.

  2. Scale-dependent genetic structure of the Idaho giant salamander (Dicamptodon aterrimus) in stream networks

    Science.gov (United States)

    Lindy B. Mullen; H. Arthur Woods; Michael K. Schwartz; Adam J. Sepulveda; Winsor H. Lowe

    2010-01-01

    The network architecture of streams and rivers constrains evolutionary, demographic and ecological processes of freshwater organisms. This consistent architecture also makes stream networks useful for testing general models of population genetic structure and the scaling of gene flow. We examined genetic structure and gene flow in the facultatively paedomorphic Idaho...

  3. Dependence of credit spread and macro-conditions based on an alterable structure model

    Science.gov (United States)

    2018-01-01

    The fat-tail financial data and cyclical financial market makes it difficult for the fixed structure model based on Gaussian distribution to characterize the dynamics of corporate bonds spreads. Using a flexible structure model based on generalized error distribution, this paper focuses on the impact of macro-level factors on the spreads of corporate bonds in China. It is found that in China's corporate bonds market, macroeconomic conditions have obvious structural transformational effects on bonds spreads, and their structural features remain stable with the downgrade of bonds ratings. The impact of macroeconomic conditions on spreads is significant for different structures, and the differences between the structures increase as ratings decline. For different structures, the persistent characteristics of bonds spreads are obviously stronger than those of recursive ones, which suggest an obvious speculation in bonds market. It is also found that the structure switching of bonds with different ratings is not synchronous, which indicates the shift of investment between different grades of bonds. PMID:29723295

  4. Dependence of credit spread and macro-conditions based on an alterable structure model.

    Science.gov (United States)

    Xie, Yun; Tian, Yixiang; Xiao, Zhuang; Zhou, Xiangyun

    2018-01-01

    The fat-tail financial data and cyclical financial market makes it difficult for the fixed structure model based on Gaussian distribution to characterize the dynamics of corporate bonds spreads. Using a flexible structure model based on generalized error distribution, this paper focuses on the impact of macro-level factors on the spreads of corporate bonds in China. It is found that in China's corporate bonds market, macroeconomic conditions have obvious structural transformational effects on bonds spreads, and their structural features remain stable with the downgrade of bonds ratings. The impact of macroeconomic conditions on spreads is significant for different structures, and the differences between the structures increase as ratings decline. For different structures, the persistent characteristics of bonds spreads are obviously stronger than those of recursive ones, which suggest an obvious speculation in bonds market. It is also found that the structure switching of bonds with different ratings is not synchronous, which indicates the shift of investment between different grades of bonds.

  5. Dependence of leaf structural indices in two forest maple species from within-crown irradiance

    Directory of Open Access Journals (Sweden)

    N.A. Belyavskaya

    2012-03-01

    Full Text Available The main leaf structural parameters of two genus Acer L. representatives ( A. platanoides and A. tataricum have been characterized. The responses of structural indices to within-crown light level have been studied. Inter-species differences have been revealed in irradiance adaptation at the cellular level.

  6. Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

    Science.gov (United States)

    Rahim, Alhan Farhanah Abd; Zainal Badri, Nur'Amirah; Radzali, Rosfariza; Mahmood, Ainorkhilah

    2017-11-01

    In this paper, an investigation of design and simulation of silicon germanium (SiGe) islands on silicon (Si) was presented for potential visible metal semiconductor metal (MSM) photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD) tools. The different structures of the silicon germanium (SiGe) island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM) photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM) photodetector was evaluated by photo and dark current-voltage (I-V) characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow) which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

  7. Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

    Directory of Open Access Journals (Sweden)

    Abd Rahim Alhan Farhanah

    2017-01-01

    Full Text Available In this paper, an investigation of design and simulation of silicon germanium (SiGe islands on silicon (Si was presented for potential visible metal semiconductor metal (MSM photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD tools. The different structures of the silicon germanium (SiGe island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM photodetector was evaluated by photo and dark current-voltage (I-V characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

  8. Renal Epithelial Cell Injury Induced by Calcium Oxalate Monohydrate Depends on their Structural Features: Size, Surface, and Crystalline Structure.

    Science.gov (United States)

    Sun, Xin-Yuan; Ouyang, Jian-Ming; Gan, Qiong-Zhi; Liu, Ai-Jie

    2016-11-01

    Urinary crystals in normal and kidney stone patients often differ in crystal sizes and surface structures, but the effects of different crystal properties on renal tubular epithelial cells remain unclear. This study aimed to compare the cytotoxicity of micron/nano-calcium oxalate monohydrate (COM) crystals with sizes of 50 nm, 200 nm, 1 μm, 3 μm, and 10 μm to African green monkey renal epithelial (Vero) cells, to reveal the effect of crystal size and surface structure on cell injury, and to investigate the pathological mechanism of calcium oxalate kidney stones. Cell viability, cellular biochemical parameters, and internalized crystal amount in Vero cells were closely associated with the size of COM crystals. At the same concentration (200 μg/mL), COM-1 μm induced the most serious injury to Vero cells and caused the most significant change to cellular biochemical parameters, which were related to the specific porous structure and highest internalized amount in Vero cells. By contrast, COM-50 nm and COM-200 nm crystals lost their small size effect because of serious aggregation and weakened their toxicity to cells. COM-3 μm and COM-10 μm crystals were too large for cells to completely internalize; these crystals also exhibited a low specific surface area and thus weakened their toxicity. The excessive expression of intracellular ROS and reduction of the free-radical scavenger SOD were the main reasons for cell injury and eventually caused necrotic cell death. Crystal size, surface structure, aggregation, and internalization amount were closely related to the cytotoxicity of COM crystals.

  9. NCACO-score: An effective main-chain dependent scoring function for structure modeling

    Directory of Open Access Journals (Sweden)

    Dong Xiaoxi

    2011-05-01

    Full Text Available Abstract Background Development of effective scoring functions is a critical component to the success of protein structure modeling. Previously, many efforts have been dedicated to the development of scoring functions. Despite these efforts, development of an effective scoring function that can achieve both good accuracy and fast speed still presents a grand challenge. Results Based on a coarse-grained representation of a protein structure by using only four main-chain atoms: N, Cα, C and O, we develop a knowledge-based scoring function, called NCACO-score, that integrates different structural information to rapidly model protein structure from sequence. In testing on the Decoys'R'Us sets, we found that NCACO-score can effectively recognize native conformers from their decoys. Furthermore, we demonstrate that NCACO-score can effectively guide fragment assembly for protein structure prediction, which has achieved a good performance in building the structure models for hard targets from CASP8 in terms of both accuracy and speed. Conclusions Although NCACO-score is developed based on a coarse-grained model, it is able to discriminate native conformers from decoy conformers with high accuracy. NCACO is a very effective scoring function for structure modeling.

  10. Crystal structures of type IIIH NAD-dependent D-3-phosphoglycerate dehydrogenase from two thermophiles

    International Nuclear Information System (INIS)

    Kumar, S.M.; Pampa, K.J.; Manjula, M.; Hemantha Kumar, G.; Kunishima, Naoki; Lokanath, N.K.

    2014-01-01

    Highlights: • Determined the crystal structures of PGDH from two thermophiles. • Monomer is composed of nucleotide binding domain and substrate binding domain. • Crystal structures of type III H PGDH. - Abstract: In the L-Serine biosynthesis, D-3-phosphoglycerate dehydrogenase (PGDH) catalyzes the inter-conversion of D-3-phosphoglycerate to phosphohydroxypyruvate. PGDH belongs to 2-hydroxyacid dehydrogenases family. We have determined the crystal structures of PGDH from Sulfolobus tokodaii (StPGDH) and Pyrococcus horikoshii (PhPGDH) using X-ray diffraction to resolution of 1.77 Å and 1.95 Å, respectively. The PGDH protomer from both species exhibits identical structures, consisting of substrate binding domain and nucleotide binding domain. The residues and water molecules interacting with the NAD are identified. The catalytic triad residues Glu-His-Arg are highly conserved. The residues involved in the dimer interface and the structural features responsible for thermostability are evaluated. Overall, structures of PGDHs with two domains and histidine at the active site are categorized as type III H and such PGDHs structures having this type are reported for the first time

  11. Dependence of dislocation structure on orientation and slip systems in highly oriented nanotwinned Cu

    DEFF Research Database (Denmark)

    Lu, Qiuhong; You, Zesheng; Huang, Xiaoxu

    2017-01-01

    slip Mode I and II are active with dominance of Mode II. In structures deformed at 45° dislocations from slip Modes I, II and III are identified, where Mode III dislocations consist of partial dislocations moving along the TBs and full dislocations inside the twin lamellae gliding on the slip planes...... parallel to the twin plane. The analysis of the dislocation structures illustrate the strong correlation between active slip systems and the dislocation structure and the strong effect of slip mode anisotropy on both the flow stress and strain hardening rate of nanotwinned Cu....

  12. Carrier diffusion in low-dimensional semiconductors. a comparison of quantum wells, disordered quantum wells, and quantum dots

    NARCIS (Netherlands)

    Fiore, A.; Rossetti, M.; Alloing, B.; Paranthoën, C.; Chen, J.X.; Geelhaar, L.; Riechert, H.

    2004-01-01

    We present a comparative study of carrier diffusion in semiconductor heterostructures with different dimensionality [InGaAs quantum wells (QWs), InAs quantum dots (QDs), and disordered InGaNAs QWs (DQWs)]. In order to evaluate the diffusion length in the active region of device structures, we

  13. Multigrid Implementation of Cellular Automata for Topology Optimisation of Continuum Structures with Design Dependent loads

    NARCIS (Netherlands)

    Zakhama, R.

    2009-01-01

    Topology optimisation of continuum structures has become mature enough to be often applied in industry and continues to attract the attention of researchers and software companies in various engineering fields. Traditionally, most available algorithms for solving topology optimisation problems are

  14. Reconstruction of the spatial dependence of dielectric and geometrical properties of adhesively bonded structures

    International Nuclear Information System (INIS)

    Mackay, C; Hayward, D; Mulholland, A J; McKee, S; Pethrick, R A

    2005-01-01

    An inverse problem motivated by the nondestructive testing of adhesively bonded structures used in the aircraft industry is studied. Using transmission line theory, a model is developed which, when supplied with electrical and geometrical parameters, accurately predicts the reflection coefficient associated with such structures. Particular attention is paid to modelling the connection between the structures and the equipment used to measure the reflection coefficient. The inverse problem is then studied and an optimization approach employed to recover these electrical and geometrical parameters from experimentally obtained data. In particular the approach focuses on the recovery of spatially varying geometrical parameters as this is paramount to the successful reconstruction of electrical parameters. Reconstructions of structure geometry using this method are found to be in close agreement with experimental observations

  15. Electronic structure and time-dependent description of rotational predissociation of LiH

    DEFF Research Database (Denmark)

    Jasik, P.; Sienkiewicz, J. E.; Domsta, J.

    2017-01-01

    parameters and the experimental ones. The dynamics of the rotational predissociation process of the 11Π state were studied by solving the time-dependent Schrödinger equation. The classical experiment of Velasco [Can. J. Phys., 1957, 35, 1204] on dissociation in the 11Π state is explained for the first time...

  16. Structural and functional characteristics of cGMP-dependent methionine oxidation in Arabidopsis thaliana proteins

    KAUST Repository

    Marondedze, Claudius; Turek, Ilona; Parrott, Brian Jonathan; Thomas, Ludivine; Jankovic, Boris R.; Lilley, Kathryn S; Gehring, Christoph A

    2013-01-01

    molecule, the cell-permeant second messenger analogue, 8-bromo-3,5-cyclic guanosine monophosphate (8-Br-cGMP), results in a time-dependent increase in the content of oxidised methionine residues. Interestingly, the group of proteins affected by c

  17. Polarization dependence of the metamagnetic resonance of cut-wire-pair structure by using plasmon hybridization

    International Nuclear Information System (INIS)

    Dung, Nguyen Van; Yoo, Young Joon; Lee, Young Pak; Tung, Nguyen Thanh; Tung, Bui Son; Lam, Vu Dinh

    2014-01-01

    The influence of lattice constants on the electromagnetic behavior of a cut-wire-pair (CWP) structure has been elucidated. In this report, we performed both simulations and experiments to determine the influence of polarization on the metamagnetic resonance of the CWP structure. The key finding is the result of an investigation on the plasmon hybridization between the two CWs, which showed that the polarization of the incident wave was affected. Good agreement between numerical simulation and measurement is achieved.

  18. Structure Based Sequence Dependent Stiffness Scale for Trinucleotides: A Direct Method

    OpenAIRE

    Gromiha, M. Michael

    2000-01-01

    A new set of stiffness parameters for all the 32trinucleotide units has been set up directly from thethree dimensional structures of DNA molecules. It wasobserved that GAC/GTC is the stiffest trinucleotideand ACC/GGT is the most flexible one. The averagestiffness values computed for a set of operatorsequences using the new parameters correlate very wellwith the protein-DNA binding specificity and bindingfree energy change of 434 repressor and Cro repressor,respectively. The new structure base...

  19. Energy dependent track structure parametrizations for protons and carbon ions based on nano-metric simulations

    International Nuclear Information System (INIS)

    Frauke, A.; Wilkens, J.J.; Villagrasa, C.; Rabus, H.

    2015-01-01

    The BioQuaRT project within the European Metrology Research Programme aims at correlating ion track structure characteristics with the biological effects of radiation and develops measurement and simulation techniques for determining ion track structure on different length scales from about 2 nm to about 10 μm. Within this framework, we investigate methods to translate track-structure quantities derived on a nanometer scale to macroscopic dimensions. Input data sets were generated by simulations of ion tracks of protons and carbon ions in liquid water using the Geant-4 Monte Carlo tool-kit with the Geant-4-DNA processes. Based on the energy transfer points - recorded with nanometer resolution - we investigated parametrizations of overall properties of ion track structure. Three different track structure parametrizations have been developed using the distances to the 10 next neighbouring ionizations, the radial energy distribution and ionisation cluster size distributions. These parametrizations of nanometer-scale track structure build a basis for deriving biologically relevant mean values which are essential in the clinical situation where each voxel is exposed to a mixed radiation field. (authors)

  20. Disintegration of cruciform and G-quadruplex structures during the course of helicase-dependent amplification (HDA).

    Science.gov (United States)

    Li, Dawei; Lv, Bei; Zhang, Hao; Lee, Jasmine Yiqin; Li, Tianhu

    2015-04-15

    Unlike chemical damages on DNA, physical alterations of B-form of DNA occur commonly in organisms that serve as signals for specified cellular events. Although the modes of action for repairing of chemically damaged DNA have been well studied nowadays, the repairing mechanisms for physically altered DNA structures have not yet been understood. Our current in vitro studies show that both breakdown of stable non-B DNA structures and resumption of canonical B-conformation of DNA can take place during the courses of isothermal helicase-dependent amplification (HDA). The pathway that makes the non-B DNA structures repairable is presumably the relieving of the accumulated torsional stress that was caused by the positive supercoiling. Our new findings suggest that living organisms might have evolved this distinct and economical pathway for repairing their physically altered DNA structures. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Low dimensional temporal organization of spontaneous eye blinks in adults with developmental disabilities and stereotyped movement disorder.

    Science.gov (United States)

    Lee, Mei-Hua; Bodfish, James W; Lewis, Mark H; Newell, Karl M

    2010-01-01

    This study investigated the mean rate and time-dependent sequential organization of spontaneous eye blinks in adults with intellectual and developmental disability (IDD) and individuals from this group who were additionally categorized with stereotypic movement disorder (IDD+SMD). The mean blink rate was lower in the IDD+SMD group than the IDD group and both of these groups had a lower blink rate than a contrast group of healthy adults. In the IDD group the n to n+1 sequential organization over time of the eye-blink durations showed a stronger compensatory organization than the contrast group suggesting decreased complexity/dimensionality of eye-blink behavior. Very low blink rate (and thus insufficient time series data) precluded analysis of time-dependent sequential properties in the IDD+SMD group. These findings support the hypothesis that both IDD and SMD are associated with a reduction in the dimension and adaptability of movement behavior and that this may serve as a risk factor for the expression of abnormal movements.

  2. Determination of reactive oxygen species from ZnO micro-nano structures with shape-dependent photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    He, Weiwei; Zhao, Hongxiao; Jia, Huimin [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Yin, Jun-Jie [Center for Food Safety and Applied Nutrition, U.S. Food and Drug Administration, College Park, MD 20740 (United States); Zheng, Zhi, E-mail: zhengzhi99999@gmail.com [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China)

    2014-05-01

    Graphical abstract: ZnO micro/nano structures with shape dependent photocatalytic activity were prepared by hydrothermal reaction. The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were identified precisely by electron spin resonance spectroscopy. The type of reactive oxygen species was determined by band gap structure of ZnO. - Highlights: • ZnO micro/nano structures with different morphologies were prepared by solvothermal reaction. • Multi-pod like ZnO structures exhibited superior photocatalytic activity. • The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were characterized precisely by electron spin resonance spectroscopy. • The type of reactive oxygen species was determined by band gap structure of ZnO. - Abstract: ZnO micro/nano structures with different morphologies have been prepared by the changing solvents used during their synthesis by solvothermal reaction. Three typical shapes of ZnO structures including hexagonal, bell bottom like and multi-pod formed and were characterized by scanning electron microscopy and X-ray diffraction. Multi pod like ZnO structures exhibited the highest photocatalytic activity toward degradation of methyl orange. Using electron spin resonance spectroscopy coupled with spin trapping techniques, we demonstrate an effective way to identify precisely the generation of hydroxyl radicals, superoxide and singlet oxygen from the irradiated ZnO multi pod structures. The type of reactive oxygen species formed was predictable from the band gap structure of ZnO. These results indicate that the shape of micro-nano structures significantly affects the photocatalytic activity of ZnO, and demonstrate the value of electron spin resonance spectroscopy for characterizing the type of reactive oxygen species formed during photoexcitation of semiconductors.

  3. Determination of reactive oxygen species from ZnO micro-nano structures with shape-dependent photocatalytic activity

    International Nuclear Information System (INIS)

    He, Weiwei; Zhao, Hongxiao; Jia, Huimin; Yin, Jun-Jie; Zheng, Zhi

    2014-01-01

    Graphical abstract: ZnO micro/nano structures with shape dependent photocatalytic activity were prepared by hydrothermal reaction. The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were identified precisely by electron spin resonance spectroscopy. The type of reactive oxygen species was determined by band gap structure of ZnO. - Highlights: • ZnO micro/nano structures with different morphologies were prepared by solvothermal reaction. • Multi-pod like ZnO structures exhibited superior photocatalytic activity. • The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were characterized precisely by electron spin resonance spectroscopy. • The type of reactive oxygen species was determined by band gap structure of ZnO. - Abstract: ZnO micro/nano structures with different morphologies have been prepared by the changing solvents used during their synthesis by solvothermal reaction. Three typical shapes of ZnO structures including hexagonal, bell bottom like and multi-pod formed and were characterized by scanning electron microscopy and X-ray diffraction. Multi pod like ZnO structures exhibited the highest photocatalytic activity toward degradation of methyl orange. Using electron spin resonance spectroscopy coupled with spin trapping techniques, we demonstrate an effective way to identify precisely the generation of hydroxyl radicals, superoxide and singlet oxygen from the irradiated ZnO multi pod structures. The type of reactive oxygen species formed was predictable from the band gap structure of ZnO. These results indicate that the shape of micro-nano structures significantly affects the photocatalytic activity of ZnO, and demonstrate the value of electron spin resonance spectroscopy for characterizing the type of reactive oxygen species formed during photoexcitation of semiconductors

  4. Monte Carlo thermodynamic and structural properties of the TIP4P water model: dependence on the computational conditions

    Directory of Open Access Journals (Sweden)

    João Manuel Marques Cordeiro

    1998-11-01

    Full Text Available Classical Monte Carlo simulations were carried out on the NPT ensemble at 25°C and 1 atm, aiming to investigate the ability of the TIP4P water model [Jorgensen, Chandrasekhar, Madura, Impey and Klein; J. Chem. Phys., 79 (1983 926] to reproduce the newest structural picture of liquid water. The results were compared with recent neutron diffraction data [Soper; Bruni and Ricci; J. Chem. Phys., 106 (1997 247]. The influence of the computational conditions on the thermodynamic and structural results obtained with this model was also analyzed. The findings were compared with the original ones from Jorgensen et al [above-cited reference plus Mol. Phys., 56 (1985 1381]. It is notice that the thermodynamic results are dependent on the boundary conditions used, whereas the usual radial distribution functions g(O/O(r and g(O/H(r do not depend on them.

  5. The effects of pressure dependent constitutive model to simulate concrete structures failure under impact loads

    Science.gov (United States)

    Mokhatar, S. N.; Sonoda, Y.; Kamarudin, A. F.; Noh, M. S. Md; Tokumaru, S.

    2018-04-01

    The main objective of this paper is to explore the effect of confining pressure in the compression and tension zone by simulating the behaviour of reinforced concrete/mortar structures subjected to the impact load. The analysis comprises the numerical simulation of the influences of high mass low speed impact weight dropping on concrete structures, where the analyses are incorporated with meshless method namely as Smoothed Particle Hydrodynamics (SPH) method. The derivation of the plastic stiffness matrix of Drucker-Prager (DP) that extended from Von-Mises (VM) yield criteria to simulate the concrete behaviour were presented in this paper. In which, the displacements for concrete/mortar structures are assumed to be infinitesimal. Furthermore, the influence of the different material model of DP and VM that used numerically for concrete and mortar structures are also discussed. Validation upon existing experimental test results is carried out to investigate the effect of confining pressure, it is found that VM criterion causes unreal impact failure (flexural cracking) of concrete structures.

  6. Substrate dependent hierarchical structures of RF sputtered ZnS films

    Science.gov (United States)

    Chalana, S. R.; Mahadevan Pillai, V. P.

    2018-05-01

    RF magnetron sputtering technique was employed to fabricate ZnS nanostructures with special emphasis given to study the effect of substrates (quartz, glass and quartz substrate pre-coated with Au, Ag, Cu and Pt) on the structure, surface evolution and optical properties. Type of substrate has a significant influence on the crystalline phase, film morphology, thickness and surface roughness. The present study elucidates the suitability of quartz substrate for the deposition of stable and highly crystalline ZnS films. We found that the role of metal layer on quartz substrate is substantial in the preparation of hierarchical ZnS structures and these structures are of great importance due to its high specific area and potential applications in various fields. A mechanism for morphological evolution of ZnS structures is also presented based on the roughness of substrates and primary nonlocal effects in sputtering. Furthermore, the findings suggest that a controlled growth of hierarchical ZnS structures may be achieved with an ordinary RF sputtering technique by changing the substrate type.

  7. Magnetic properties of 2D nickel nanostrips: structure dependent magnetism and Stoner criterion

    International Nuclear Information System (INIS)

    Kashid, Vikas; Shah, Vaishali; Salunke, H G; Mokrousov, Yuriy; Blügel, Stefan

    2015-01-01

    We have investigated different geometries of two-dimensional (2D) infinite length Ni nanowires of increasing width using spin density functional theory calculations. Our simulations demonstrate that the parallelogram motif is the most stable and structures that incorporate the parallelogram motif are more stable as compared to rectangular structures. The wires are conducting and the conductance channels increase with increasing width. The wires have a non-linear behavior in the ballistic anisotropic magnetoresistance ratios (BAMR) with respect to the magnetization directions. All 2D nanowires as well as Ni (1 1 1) and Ni (1 0 0) monolayer investigated are ferromagnetic under the Stoner criterion and exhibit enhanced magnetic moments as compared to bulk Ni and the respective Ni monolayers. The easy axis for all nickel nanowires under investigation is observed to be along the wire axis. The double rectangular nanowire exhibits a magnetic anomaly with a smaller magnetic moment when compared to Ni (1 0 0) monolayer and is the only structure with an easy axis perpendicular to the wire axis. The Stoner parameter which has been known to be structure independent in bulk and surfaces is found to vary with the structure and the width of the nanowires. The less stable rectangular and rhombus shaped nanowires have a higher ferromagnetic strength than parallelogram shaped nanowires. (paper)

  8. Structural Studies of dielectric HDPE+ZrO2 polymer nanocomposites: filler concentration dependences

    Science.gov (United States)

    Nabiyev, A. A.; Islamov, A. Kh; Maharramov, A. M.; Nuriyev, M. A.; Ismayilova, R. S.; Doroshkevic, A. S.; Pawlukojc, A.; Turchenko, V. A.; Olejniczak, A.; Rulev, M. İ.; Almasan, V.; Kuklin, A. I.

    2018-03-01

    Structural properties of HDPE+ZrO2 polymer nanocomposites thin films of 80-100μm thicknesses were investigated using SANS, XRD, Laser Raman and FTIR spectroscopy. The mass fraction of the filler was 1, 3, 10, and 20%. Results of XRD analysis showed that ZrO2 powder was crystallized both in monoclinic and in cubic phase under normal conditions. The percentages of monoclinic and cubic phase were found to be 99.8% and 0.2%, respectively. It was found that ZrO2 nanoparticles did not affect the main crystal and chemical structure of HDPE, but the degree of crystallinity of the polymer decreases with increasing concentration of zirconium oxide. SANS experiments showed that at ambient conditions ZrO2 nanoparticles mainly distributed like mono-particles in the polymer matrix at all concentrations of filler.The structure of HDPE+ZrO2 does not changes up to 132°C at 1-3% of filler, excepting changing of the polymer structure at temperatures upper 82°C. At high concentrations of filler 10-20% the aggregation of ZrO2 nanoparticles occurs, forming domains of 2.5μm. The results of Raman and FTIR spectroscopy did not show additional specific chemical bonds between the filler and the polymer matrix. New peaks formation was not observed. These results suggest that core-shell structure does not exist in the polymer nanocomposite system.

  9. On the momentum dependence of the flavor structure of the nucleon sea

    Directory of Open Access Journals (Sweden)

    Jen-Chieh Peng

    2014-09-01

    Full Text Available Difference between the u¯ and d¯ sea quark distributions in the proton was first observed in the violation of the Gottfried sum rule in deep-inelastic scattering (DIS experiments. The parton momentum fraction x dependence of this difference has been measured over the region 0.02dependence of d¯−u¯ in the context of meson cloud model and the lattice QCD formulation.

  10. On the momentum dependence of the flavor structure of the nucleon sea

    International Nuclear Information System (INIS)

    Peng, Jen-Chieh; Chang, Wen-Chen; Cheng, Hai-Yang; Hou, Tie-Jiun; Liu, Keh-Fei; Qiu, Jian-Wei

    2014-01-01

    Difference between the u ¯ and d ¯ sea quark distributions in the proton was first observed in the violation of the Gottfried sum rule in deep-inelastic scattering (DIS) experiments. The parton momentum fraction x dependence of this difference has been measured over the region 0.02dependence of d ¯ −u ¯ in the context of meson cloud model and the lattice QCD formulation

  11. Slicing, sampling, and distance-dependent effects affect network measures in simulated cortical circuit structures

    Directory of Open Access Journals (Sweden)

    Daniel Carl Miner

    2014-11-01

    Full Text Available The neuroanatomical connectivity of cortical circuits is believed to follow certain rules, the exact origins of which are still poorly understood. In particular, numerous nonrandom features, such as common neighbor clustering, overrepresentation of reciprocal connectivity, and overrepresentation of certain triadic graph motifs have been experimentally observed in cortical slice data. Some of these data, particularly regarding bidirectional connectivity are seemingly contradictory, and the reasons for this are unclear. Here we present a simple static geometric network model with distance-dependent connectivity on a realistic scale that naturally gives rise to certain elements of these observed behaviors, and may provide plausible explanations for some of the conflicting findings. Specifically, investigation of the model shows that experimentally measured nonrandom effects, especially bidirectional connectivity, may depend sensitively on experimental parameters such as slice thickness and sampling area, suggesting potential explanations for the seemingly conflicting experimental results.

  12. Slicing, sampling, and distance-dependent effects affect network measures in simulated cortical circuit structures.

    Science.gov (United States)

    Miner, Daniel C; Triesch, Jochen

    2014-01-01

    The neuroanatomical connectivity of cortical circuits is believed to follow certain rules, the exact origins of which are still poorly understood. In particular, numerous nonrandom features, such as common neighbor clustering, overrepresentation of reciprocal connectivity, and overrepresentation of certain triadic graph motifs have been experimentally observed in cortical slice data. Some of these data, particularly regarding bidirectional connectivity are seemingly contradictory, and the reasons for this are unclear. Here we present a simple static geometric network model with distance-dependent connectivity on a realistic scale that naturally gives rise to certain elements of these observed behaviors, and may provide plausible explanations for some of the conflicting findings. Specifically, investigation of the model shows that experimentally measured nonrandom effects, especially bidirectional connectivity, may depend sensitively on experimental parameters such as slice thickness and sampling area, suggesting potential explanations for the seemingly conflicting experimental results.

  13. Whether Social Schema Violations Help or Hurt Creativity Depends on Need for Structure.

    Science.gov (United States)

    Gocłowska, Małgorzata A; Baas, Matthijs; Crisp, Richard J; De Dreu, Carsten K W

    2014-08-01

    Although people and events that disconfirm observers' expectancies can increase their creativity, sometimes such social schema violations increase observers' rigidity of thought and undermine creative cognition. Here we examined whether individual differences in the extent to which people prefer structure and predictability determine whether social schema violations facilitate or hamper creativity. Participants in Study 1 formed impressions of a schema-inconsistent female mechanic (vs. a schema-consistent male mechanic). Following schema-inconsistent rather than -consistent information, participants low (high) in need for structure showed better (impeded) creative performance. Participants in Study 2 memorized a series of images in which individuals were placed on a schema-inconsistent (vs. consistent) background (e.g., an Eskimo on the desert vs. on a snowy landscape). Following schema-inconsistent imagery, participants low (high) in need for structure increased (decreased) divergent thinking. © 2014 by the Society for Personality and Social Psychology, Inc.

  14. Dependency structure and scaling properties of financial time series are related.

    Science.gov (United States)

    Morales, Raffaello; Di Matteo, T; Aste, Tomaso

    2014-04-04

    We report evidence of a deep interplay between cross-correlations hierarchical properties and multifractality of New York Stock Exchange daily stock returns. The degree of multifractality displayed by different stocks is found to be positively correlated to their depth in the hierarchy of cross-correlations. We propose a dynamical model that reproduces this observation along with an array of other empirical properties. The structure of this model is such that the hierarchical structure of heterogeneous risks plays a crucial role in the time evolution of the correlation matrix, providing an interpretation to the mechanism behind the interplay between cross-correlation and multifractality in financial markets, where the degree of multifractality of stocks is associated to their hierarchical positioning in the cross-correlation structure. Empirical observations reported in this paper present a new perspective towards the merging of univariate multi scaling and multivariate cross-correlation properties of financial time series.

  15. Substrate-Dependent Differences in the Crystal Structures and Optical Properties of ZnSe Nanowires

    Directory of Open Access Journals (Sweden)

    Keumyoung Seo

    2015-01-01

    Full Text Available The optical and structural properties of ZnSe nanowires directly grown on three different substrates, SiO2, ITO, and graphene, were investigated. ZnSe nanowires grown on graphene and SiO2 were found to have cubic structures, while ZnSe nanowires grown on ITO had a mixed cubic and hexagonal structure. The main peaks in the photoluminescence spectra of ZnSe nanowires grown on SiO2, ITO, and graphene were located at 459, 627, and 627/460 nm, respectively. In addition, a field-emission light-emitting device was fabricated using ZnSe nanowires as a phosphor and graphene as an electrode. The device showed a red emission peak with Commission Internationale de L’Eclairage coordinates of (0.621, 0.315.

  16. Diameter-dependence of the electronic structures of the ZnO nanorods

    International Nuclear Information System (INIS)

    Chiou, J.W.; Kumar, K.P.K.; Jan, J.C.; Tsai, H.M.; Bao, C.W.; Pong, W.F.; Tsai, M.-H.; Hong, I.-H.; Klauser, R.; Lee, J.F.; Wu, J.J.; Liu, S.C.

    2004-01-01

    Full text: O K-, Zn L3- and K-edges x-ray absorption near-edge structure (XANES) spectra and scanning photoelectron microscopy (SPEM) spectra were measured for the ZnO nanorods with various diameters to study their electronic structures. Analysis of the XANES spectra revealed that charge transfer from the O 2p to Zn 3d states is enhanced with the decrease of the nanorod diameter. The charge transfer due to O 2p-Zn 3d hybridization is found to be compensated by the Zn 4p to O 2p charge transfer due to O 2p-Zn 4p rehybridization in consistence with the Zn 3d SPEM results. The valence-band photoemission spectra show changes in the electronic structures, especially near to the Fermi level, with the decrease of the nanorod diameter due to surface effect and/or local electrostatic polarization

  17. Piezoelectric and deformation potential effects of strain-dependent luminescence in semiconductor quantum well structures

    DEFF Research Database (Denmark)

    Zhang, Aihua; Peng, Mingzeng; Willatzen, Morten

    2017-01-01

    The mechanism of strain-dependent luminescence is important for the rational design of pressure-sensing devices. The interband momentum-matrix element is the key quantity for understanding luminescent phenomena. We analytically solved an infinite quantum well (IQW) model with strain, in the frame......The mechanism of strain-dependent luminescence is important for the rational design of pressure-sensing devices. The interband momentum-matrix element is the key quantity for understanding luminescent phenomena. We analytically solved an infinite quantum well (IQW) model with strain......, in the framework of the 6 × 6 k·p Hamiltonian for the valence states, to directly assess the interplay between the spin-orbit coupling and the strain-induced deformation potential for the interband momentum-matrix element. We numerically addressed problems of both the infinite and IQWs with piezoelectric fields...... to elucidate the effects of the piezoelectric potential and the deformation potential on the strain-dependent luminescence. The experimentally measured photoluminescence variatio½n as a function of pressure can be qualitatively explained by the theoretical results....

  18. Spatial structure arising from neighbour-dependent bias in collective cell movement

    Directory of Open Access Journals (Sweden)

    Rachelle N. Binny

    2016-02-01

    Full Text Available Mathematical models of collective cell movement often neglect the effects of spatial structure, such as clustering, on the population dynamics. Typically, they assume that individuals interact with one another in proportion to their average density (the mean-field assumption which means that cell–cell interactions occurring over short spatial ranges are not accounted for. However, in vitro cell culture studies have shown that spatial correlations can play an important role in determining collective behaviour. Here, we take a combined experimental and modelling approach to explore how individual-level interactions give rise to spatial structure in a moving cell population. Using imaging data from in vitro experiments, we quantify the extent of spatial structure in a population of 3T3 fibroblast cells. To understand how this spatial structure arises, we develop a lattice-free individual-based model (IBM and simulate cell movement in two spatial dimensions. Our model allows an individual’s direction of movement to be affected by interactions with other cells in its neighbourhood, providing insights into how directional bias generates spatial structure. We consider how this behaviour scales up to the population level by using the IBM to derive a continuum description in terms of the dynamics of spatial moments. In particular, we account for spatial correlations between cells by considering dynamics of the second spatial moment (the average density of pairs of cells. Our numerical results suggest that the moment dynamics description can provide a good approximation to averaged simulation results from the underlying IBM. Using our in vitro data, we estimate parameters for the model and show that it can generate similar spatial structure to that observed in a 3T3 fibroblast cell population.

  19. Spatial structure arising from neighbour-dependent bias in collective cell movement.

    Science.gov (United States)

    Binny, Rachelle N; Haridas, Parvathi; James, Alex; Law, Richard; Simpson, Matthew J; Plank, Michael J

    2016-01-01

    Mathematical models of collective cell movement often neglect the effects of spatial structure, such as clustering, on the population dynamics. Typically, they assume that individuals interact with one another in proportion to their average density (the mean-field assumption) which means that cell-cell interactions occurring over short spatial ranges are not accounted for. However, in vitro cell culture studies have shown that spatial correlations can play an important role in determining collective behaviour. Here, we take a combined experimental and modelling approach to explore how individual-level interactions give rise to spatial structure in a moving cell population. Using imaging data from in vitro experiments, we quantify the extent of spatial structure in a population of 3T3 fibroblast cells. To understand how this spatial structure arises, we develop a lattice-free individual-based model (IBM) and simulate cell movement in two spatial dimensions. Our model allows an individual's direction of movement to be affected by interactions with other cells in its neighbourhood, providing insights into how directional bias generates spatial structure. We consider how this behaviour scales up to the population level by using the IBM to derive a continuum description in terms of the dynamics of spatial moments. In particular, we account for spatial correlations between cells by considering dynamics of the second spatial moment (the average density of pairs of cells). Our numerical results suggest that the moment dynamics description can provide a good approximation to averaged simulation results from the underlying IBM. Using our in vitro data, we estimate parameters for the model and show that it can generate similar spatial structure to that observed in a 3T3 fibroblast cell population.

  20. Perceived Difficulty of Moral Dilemmas Depends on Their Causal Structure: A Formal Model and Preliminary Results

    DEFF Research Database (Denmark)

    Kuhnert, Barbara; Lindner, Felix; Bentzen, Martin Mose

    We introduce causal agency models as a modeling technique for representing and reasoning about ethical dilemmas. We find that ethical dilemmas, although they look similar on the surface, have very different causal structures. Based on their structural properties, as identified by the causal agency...... models, we cluster a set of dilemmas in Type 1 and Type 2 dilemmas. We observe that for Type 2 dilemmas but not for Type 1 dilemmas a utilitarian action dominates the possibility of refraining from action. Hence, we hypothesize, based on the model, that Type 2 dilemmas are perceived as less difficult...