1,900 research outputs found

    Free Energy for Protonation Reaction in Lithium-Ion Battery Cathode Materials

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    Electron-phonon interaction in the solid form of the smallest fullerene C20_{20}

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    The electron-phonon coupling of a theoretically devised carbon phase made by assembling the smallest fullerenes C20_{20} is calculated from first principles. The structure consists of C20_{20} cages in an {\it fcc} lattice interlinked by two bridging carbon atoms in the interstitial tetrahedral sites ({\it fcc}-C22_{22}). The crystal is insulating but can be made metallic by doping with interstitial alkali atoms. In the compound NaC22_{22} the calculated coupling constant λ/N(0)\lambda/N(0) is 0.28 eV, a value much larger than in C60_{60}, as expected from the larger curvature of C20_{20}. On the basis of the McMillan's formula, the calculated λ\lambda=1.12 and a μ∗\mu^* assumed in the range 0.3-0.1 a superconducting Tc_c in the range 15-55 K is predicted.Comment: 7 page

    Moving Target Analysis in ISAR Image Sequences with a Multiframe Marked Point Process Model

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    In this paper we propose a Multiframe Marked Point Process model of line segments and point groups for automatic target structure extraction and tracking in Inverse Synthetic Aperture Radar (ISAR) image sequences. For the purpose of dealing with scatterer scintillations and high speckle noise in the ISAR frames, we obtain the resulting target sequence by an iterative optimization process, which simultaneously considers the observed image data and various prior geometric interaction constraints between the target appearances in the consecutive frames. A detailed quantitative evaluation is performed on 8 real ISAR image sequences of different carrier ship and airplane targets, using a test database containing 545 manually annotated frames

    Passage-time statistics of superradiant light pulses from Bose-Einstein condensates

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    We discuss the passage-time statistics of superradiant light pulses generated during the scattering of laser light from an elongated atomic Bose-Einstein condensate. Focusing on the early-stage of the phenomenon, we analyze the corresponding probability distributions and their scaling behaviour with respect to the threshold photon number and the coupling strength. With respect to these parameters, we find quantities which only vary significantly during the transition between the Kapitza Dirac and the Bragg regimes. A possible connection of the present observations to Brownian motion is also discussed.Comment: Close to the version published in J. Phys.

    The electron-phonon coupling strength at metal surfaces directly determined from the Helium atom scattering Debye-Waller factor

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    A new quantum-theoretical derivation of the elastic and inelastic scattering probability of He atoms from a metal surface, where the energy and momentum exchange with the phonon gas can only occur through the mediation of the surface free-electron density, shows that the Debye-Waller exponent is directly proportional to the electron-phonon mass coupling constant λ\lambda. The comparison between the values of λ\lambda extracted from existing data on the Debye-Waller factor for various metal surfaces and the λ\lambda values known from literature indicates a substantial agreement, which opens the possibility of directly extracting the electron-phonon coupling strength in quasi-2D conducting systems from the temperature or incident energy dependence of the elastic Helium atom scattering intensities.Comment: 14 pages, 2 figures, 1 tabl

    Pourbaix-like phase diagram for lithium manganese spinels in acid

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    Calculations are performed on the free energies for proton-promoted reactions of the lithium-ion-battery electrode material LiMn_(2)O_4 spinel in acid, as a function of lithium excess and lithium deficiency relative to stoichiometry. In particular, we consider the dissolution reaction proposed by Hunter (J. Solid State Chem., 1981, 39, 142), in which protons react with lithium manganate spinel to form λ-MnO2, Li^+, and Mn^(2+) products. The calculations employ a hybrid method developed in previous work in which first principles total energy calculations are applied for the solid phases and free atom energies, and tabulated ionization and hydration energies for the aqueous species. A correction to the atomic energies, derived from analysis of binary oxide dissolution reactions, improves the accuracy of the results. A Pourbaix-like dissolution/stability phase diagram is constructed from the resultant reaction free energies
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