1,791 research outputs found

    First-Principle Description of Correlation Effects in Layered Materials

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    We present a first-principles description of anisotropic materials characterized by having both weak (dispersion-like) and strong covalent bonds, based on the Adiabatic--Connection Fluctuation--Dissipation Theorem within Density Functional Theory. For hexagonal boron nitride the in-plane and out of plane bonding as well as vibrational dynamics are well described both at equilibrium and when the layers are pulled apart. Also bonding in covalent and ionic solids is described. The formalism allows to ping-down the deficiencies of common exchange-correlation functionals and provides insight towards the inclusion of dispersion interactions into the correlation functional.Comment: Accepted for publication in Physical Review Letter

    Issues for the Next Generation of Galaxy Surveys

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    I argue that the weight of the available evidence favours the conclusions that galaxies are unbiased tracers of mass, the mean mass density (excluding a cosmological constant or its equivalent) is less than the critical Einstein-de Sitter value, and an isocurvature model for structure formation offers a viable and arguably attractive model for the early assembly of galaxies. If valid these conclusions complicate our work of adding structure formation to the standard model for cosmology, but it seems sensible to pay attention to evidence.Comment: 14 pages, 3 postscript figures, uses rspublic.st

    X-ray studies of enzymes that interact with penicillins.

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    The technique of X-ray diffraction has been successfully applied to enzymes associated with peptidoglycan biosynthesis. The technique has taught us a great deal about the structures and catalytic mechanisms of penicillin-binding proteins and beta-lactamases. An insight into the structural basis for antibiotic resistance is given

    Determination of the Intershell Conductance in Multiwalled Carbon Nanotubes

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    We report on the intershell electron transport in multiwalled carbon nanotubes (MWNT). To do this, local and nonlocal four-point measurements are used to study the current path through the different shells of a MWNT. For short electrode separations ≲\lesssim 1 μ\mum the current mainly flows through the two outer shells, described by a resistive transmission line with an intershell conductance per length of ~(10 k\Omega)^{-1}/μ\mum. The intershell transport is tunnel-type and the transmission is consistent with the estimate based on the overlap between π\pi-orbitals of neighboring shells.Comment: 5 pages, 4 figure

    On the Number of Unbordered Factors

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    We illustrate a general technique for enumerating factors of k-automatic sequences by proving a conjecture on the number f(n) of unbordered factors of the Thue-Morse sequence. We show that f(n) = 4 and that f(n) = n infinitely often. We also give examples of automatic sequences having exactly 2 unbordered factors of every length

    Identification of Electron Donor States in N-doped Carbon Nanotubes

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    Nitrogen doped carbon nanotubes have been synthesized using pyrolysis and characterized by Scanning Tunneling Spectroscopy and transmission electron microscopy. The doped nanotubes are all metallic and exhibit strong electron donor states near the Fermi level. Using tight-binding and ab initio calculations, we observe that pyridine-like N structures are responsible for the metallic behavior and the prominent features near the Fermi level. These electron rich structures are the first example of n-type nanotubes, which could pave the way to real molecular hetero-junction devices.Comment: 5 pages, 4 figures, revtex, submitted to PR

    Did Frédéric Chopin die from heart failure?

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    On October 17, 1849, Poland's greatest composer, Frédéric Chopin (1810–1849) died aged 39. His cause of death remains unknown. An investigation of the documental sources was performed to reconstruct the medical history of the artist. Since his earliest years, his life had been dominated by poor health. Recurrent episodes of cough, fever, headaches, lymphadenopathy- a series of symptoms that may be attributed to viral respiratory infections- manifested in his teens. Later in life, he had chest pain, hemoptysis, hematemesis, neuralgia, and arthralgia. Exhaustion and breathlessness characterized all his adult life. Coughing, choking, and edema of the legs and ankles manifested four months before his death. Several hypotheses ranging from cystic fibrosis to alpha-1 anti-trypsin deficiency and pulmonary tuberculosis have been proposed to explain Chopin's lifelong illness. We suggest that Chopin had dilated cardiomyopathy with consequent heart failure and cirrhosis that caused his death
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