7,181 research outputs found

    Phenomenological Transport Equation for the Cuprate Metals

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    We observe that the appearance of two transport relaxation times in the various transport coefficients of cuprate metals may be understood in terms of scattering processes that discriminate between currents that are even, or odd under the charge conjugation operator. We develop a transport equation that illustrates these ideas and discuss its experimental and theoretical consequences.Comment: Replaced with journal ref. Latex+ p

    Analysis of the Dynamics of Liquid Aluminium: Recurrent Relation Approach

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    By use of the recurrent relation approach (RRA) we study the microscopic dynamics of liquid aluminium at T=973 K and develop a theoretical model which satisfies all the corresponding sum rules. The investigation covers the inelastic features as well as the crossover of our theory into the hydrodynamical and the free-particle regimes. A comparison between our theoretical results with those following from a generalized hydrodynamical approach is also presented. In addition to this we report the results of our molecular dynamics simulations for liquid aluminium, which are also discussed and compared to experimental data. The received results reveal that (i) the microscopical dynamics of density fluctuations is defined mainly by the first four even frequency moments of the dynamic structure factor, and (ii) the inherent relation of the high-frequency collective excitations observed in experimental spectra of dynamic structure factor S(k,ω)S(k,\omega) with the two-, three- and four-particle correlations.Comment: 11 pages, 4 figure

    Efficient algorithms for rigid body integration using optimized splitting methods and exact free rotational motion

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    Hamiltonian splitting methods are an established technique to derive stable and accurate integration schemes in molecular dynamics, in which additional accuracy can be gained using force gradients. For rigid bodies, a tradition exists in the literature to further split up the kinetic part of the Hamiltonian, which lowers the accuracy. The goal of this note is to comment on the best combination of optimized splitting and gradient methods that avoids splitting the kinetic energy. These schemes are generally applicable, but the optimal scheme depends on the desired level of accuracy. For simulations of liquid water it is found that the velocity Verlet scheme is only optimal for crude simulations with accuracies larger than 1.5%, while surprisingly a modified Verlet scheme (HOA) is optimal up to accuracies of 0.4% and a fourth order gradient scheme (GIER4) is optimal for even higher accuracies.Comment: 2 pages, 1 figure. Added clarifying comments. Accepted for publication in the Journal of Chemical Physic

    Illustrative components of the geological environment

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    In this chapter we provide an account of the contribution made by the Geosphere, in particular bedrock geological materials (part of the lithosphere), groundwater and hydrochemistry to the development of a GDF. In order to put this in context we provide a brief account of the general requirements of these attributes, particularly in respect of the post closure safety and, to a lesser extent, the construction phase of the GDF. We also provide a brief summary of the international approach to using bedrock geological materials and go on to describe the summary properties from a range of bedrock geological materials (lithologies and formations) in England, Wales and Northern Ireland, illustrated from well-documented examples

    Quantum free energy differences from non-equilibrium path integrals: I. Methods and numerical application

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    The imaginary-time path integral representation of the canonical partition function of a quantum system and non-equilibrium work fluctuation relations are combined to yield methods for computing free energy differences in quantum systems using non-equilibrium processes. The path integral representation is isomorphic to the configurational partition function of a classical field theory, to which a natural but fictitious Hamiltonian dynamics is associated. It is shown that if this system is prepared in an equilibrium state, after which a control parameter in the fictitious Hamiltonian is changed in a finite time, then formally the Jarzynski non-equilibrium work relation and the Crooks fluctuation relation are shown to hold, where work is defined as the change in the energy as given by the fictitious Hamiltonian. Since the energy diverges for the classical field theory in canonical equilibrium, two regularization methods are introduced which limit the number of degrees of freedom to be finite. The numerical applicability of the methods is demonstrated for a quartic double-well potential with varying asymmetry. A general parameter-free smoothing procedure for the work distribution functions is useful in this context.Comment: 20 pages, 4 figures. Added clarifying remarks and fixed typo

    How should we interpret the two transport relaxation times in the cuprates ?

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    We observe that the appearance of two transport relaxation times in the various transport coefficients of cuprate metals may be understood in terms of scattering processes that discriminate between currents that are even, or odd under the charge conjugation operator. We develop a transport equation that illustrates these ideas and discuss its experimental and theoretical consequences.Comment: 19 pages, RevTeX with 8 postscript figures included. To appear in ``Non Fermi Liquid Physics'', J. Phys:Cond. Matt. (1997
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