7,076 research outputs found

    Method and apparatus for producing microshells

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    A method is described for forming hollow particles, or shells, of extremely small size. The shell material is heated to a molten temperature in the presence of a gas that is at least moderately soluble in the shell material, to form a solution of the molten shell material and the soluble gas. The solution is atomized to form a multiplicity of separate droplets that are cooled while in free fall. Cooling of a droplet from the outside traps the desolved gas and forces it to form a gas bubble at the center of the droplet which now forms a gas filled shell. The shell is reheated and then cooled in free fall, in an environment having a lower pressure than the gas pressure in the shell. This causes expansion of the shell and the formation of a shell having a small wall thickness compared to its diameter

    Microscopic theory of glassy dynamics and glass transition for molecular crystals

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    We derive a microscopic equation of motion for the dynamical orientational correlators of molecular crystals. Our approach is based upon mode coupling theory. Compared to liquids we find four main differences: (i) the memory kernel contains Umklapp processes, (ii) besides the static two-molecule orientational correlators one also needs the static one-molecule orientational density as an input, where the latter is nontrivial, (iii) the static orientational current density correlator does contribute an anisotropic, inertia-independent part to the memory kernel, (iv) if the molecules are assumed to be fixed on a rigid lattice, the tensorial orientational correlators and the memory kernel have vanishing l,l'=0 components. The resulting mode coupling equations are solved for hard ellipsoids of revolution on a rigid sc-lattice. Using the static orientational correlators from Percus-Yevick theory we find an ideal glass transition generated due to precursors of orientational order which depend on X and p, the aspect ratio and packing fraction of the ellipsoids. The glass formation of oblate ellipsoids is enhanced compared to that for prolate ones. For oblate ellipsoids with X <~ 0.7 and prolate ellipsoids with X >~ 4, the critical diagonal nonergodicity parameters in reciprocal space exhibit more or less sharp maxima at the zone center with very small values elsewhere, while for prolate ellipsoids with 2 <~ X <~ 2.5 we have maxima at the zone edge. The off-diagonal nonergodicity parameters are not restricted to positive values and show similar behavior. For 0.7 <~ X <~ 2, no glass transition is found. In the glass phase, the nonergodicity parameters show a pronounced q-dependence.Comment: 17 pages, 12 figures, accepted at Phys. Rev. E. v4 is almost identical to the final paper version. It includes, compared to former versions v2/v3, no new physical content, but only some corrected formulas in the appendices and corrected typos in text. In comparison to version v1, in v2-v4 some new results have been included and text has been change

    On the "generalized Generalized Langevin Equation"

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    In molecular dynamics simulations and single molecule experiments, observables are usually measured along dynamic trajectories and then averaged over an ensemble ("bundle") of trajectories. Under stationary conditions, the time-evolution of such averages is described by the generalized Langevin equation. In contrast, if the dynamics is not stationary, it is not a priori clear which form the equation of motion for an averaged observable has. We employ the formalism of time-dependent projection operator techniques to derive the equation of motion for a non-equilibrium trajectory-averaged observable as well as for its non-stationary auto-correlation function. The equation is similar in structure to the generalized Langevin equation, but exhibits a time-dependent memory kernel as well as a fluctuating force that implicitly depends on the initial conditions of the process. We also derive a relation between this memory kernel and the autocorrelation function of the fluctuating force that has a structure similar to a fluctuation-dissipation relation. In addition, we show how the choice of the projection operator allows to relate the Taylor expansion of the memory kernel to data that is accessible in MD simulations and experiments, thus allowing to construct the equation of motion. As a numerical example, the procedure is applied to Brownian motion initialized in non-equilibrium conditions, and is shown to be consistent with direct measurements from simulations

    Molecular mode-coupling theory for supercooled liquids: Application to water

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    We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition. The mode-coupling theory (MCT) originally formulated to study the slow relaxation in simple atomic liquids, and then extended to the analysis of liquids composed by linear molecules, is here generalized to systems of arbitrarily shaped, rigid molecules. We compare the predictions of the theory for the qq-vector dependence of the molecular nonergodicity parameters, calculated by solving numerically the molecular MCT equations in two different approximation schemes, with ``exact'' results calculated from a molecular dynamics simulation of supercooled water. The agreement between theory and simulation data supports the view that MCT succeeds in describing the dynamics of supercooled molecular liquids, even for network forming ones.Comment: 22 pages 4 figures Late

    γNΔ\gamma N \to \Delta transition form factors in Quenched and NF=2N_F=2 QCD

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    Calculations of the magnetic dipole, electric quadrupole and Coulomb quadrupole amplitudes for the transition γNΔ\gamma N\to \Delta are presented both in quenched QCD and with two flavours of degenerate dynamical quarks.Comment: Lattice2003(Matrix), 3 page

    Calculation of the N to Delta electromagnetic transition matrix element

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    We present results on the ratio of electric quadrupole to magnetic dipole amplitudes, REM=GE2/GM1R_{EM}={\cal G}_{E2}/{\cal G}_{M1}, for the transition γNtoΔ\gamma N to \Delta from lattice QCD. We consider both the quenched and the 2-flavor theory.Comment: 3 pages, 4 figures, talk presented at Lattice2002(matrixel); Layout of figures adjuste

    FFT for the APE Parallel Computer

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    We present a parallel FFT algorithm for SIMD systems following the `Transpose Algorithm' approach. The method is based on the assignment of the data field onto a 1-dimensional ring of systolic cells. The systolic array can be universally mapped onto any parallel system. In particular for systems with next-neighbour connectivity our method has the potential to improve the efficiency of matrix transposition by use of hyper-systolic communication. We have realized a scalable parallel FFT on the APE100/Quadrics massively parallel computer, where our implementation is part of a 2-dimensional hydrodynamics code for turbulence studies. A possible generalization to 4-dimensional FFT is presented, having in mind QCD applications.Comment: 17 pages, 13 figures, figures include
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