28 research outputs found

    Cation- and vacancy-ordering in Li_xCoO_2

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    Using a combination of first-principles total energies, a cluster expansion technique, and Monte Carlo simulations, we have studied the Li/Co ordering in LiCoO_2 and Li-vacancy/Co ordering in CoO_2. We find: (i) A ground state search of the space of substitutional cation configurations yields the (layered) CuPt structure as the lowest-energy state in the octahedral system LiCoO_2 (and CoO_2), in agreement with the experimentally observed phase. (ii) Finite temperature calculations predict that the solid-state order- disorder transitions for LiCoO_2 and CoO_2 occur at temperatures (~5100 K and ~4400 K, respectively) much higher than melting, thus making these transitions experimentally inaccessible. (iii) The energy of the reaction E(LiCoO_2) - E(CoO_2) - E(Li) gives the average battery voltage V of a Li_xCoO_2/Li cell. Searching the space of configurations for large average voltages, we find that CuPt (a monolayer superlattice) has a high voltage (V=3.78 V), but that this could be increased by cation randomization (V=3.99 V), partial disordering (V=3.86 V), or by forming a 2-layer Li_2Co_2O_4 superlattice along (V=4.90 V).Comment: 12 Pages, RevTeX galley format, 5 figures embedded using epsf Phys. Rev. B (in press, 1998

    Analytic fluid theory of beam spiraling in high-intensity cyclotrons

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    Using a two-dimensional fluid description, we investigate the nonlinear radial-longitudinal dynamics of intense beams in isochronous cyclotrons in the nonrelativistic limit. With a multiscale analysis separating the time scale associated with the betatron motion and the slower time scale associated with space-charge effects, we show that the longitudinal-radial vortex motion can be understood in the frame moving with the charged beam as the nonlinear advection of the beam by the E×B velocity field, where E is the electric field due to the space charge and B is the external magnetic field. This interpretation provides simple explanations for the stability of round beams and for the development of spiral halos in elongated beams. By numerically solving the nonlinear advection equation for the beam density, we find that it is also in quantitative agreement with results obtained in particle-in-cell simulations

    6.4 GHz ECR ion source at VECC

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