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    A flexible mandatory access control policy for XML databases

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    A flexible mandatory access control policy (MAC) for XML databases is presented in this paper. The label type and label access policy can be defined according to the requirements of applications. In order to preserve the integrity of data in XML databases, a constraint between a read access rule and a write access rule in label access policy is introduced. Rules for label assignment and propagation are proposed to alleviate the workload of label assignment. Also, a solution for resolving conflicts of label assignments is proposed. At last, operations for implementation of the MAC policy in a XML database are illustrated

    Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol

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    Molecular dynamics simulations are obtained and analyzed to study pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol, in particular by evaluating the potential-of-mean-force between counter ions. The present molecular model and simulation accurately predicts the dissociation constant Kd in comparison to experiment, and thus the behavior and magnitudes for the ion-pair pmf at molecular distances, even though the dielectric constant of the simulated solvent differs from the experimental value by about 30%. A naive dielectric model does not capture molecule structural effects such as multiple conformations and binding geometries of the Hmim+ and BF4- ion-pairs. Mobilities identify multiple time-scale effects in the autocorrelation of the random forces on the ions, and specifically a slow, exponential time-decay of those long-ranged forces associated here with dielectric friction effects.Comment: 5 pages, 7 figures. V2: Figs. 4 & 7 redrawn for better visual clarity with log-scales. No change in results. In press J. Chem. Phys. 201

    Dynamic microscopic structures and dielectric response in the cubic-to-tetragonal phase transition for BaTiO3 studied by first-principles molecular dynamics simulation

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    The dynamic structures of the cubic and tetragonal phase in BaTiO3 and its dielectric response above the cubic-to-tetragonal phase transition temperature (Tp) are studied by first-principles molecular dynamics (MD) simulation. It's shown that the phase transition is due to the condensation of one of the transverse correlations. Calculation of the phonon properties for both the cubic and tetragonal phase shows a saturation of the soft mode frequency near 60 cm-1 near Tp and advocates its order-disorder nature. Our first-principles calculation leads directly to a two modes feature of the dielectric function above Tp [Phys. Rev. B 28, 6097 (1983)], which well explains the long time controversies between experiments and theories
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