Self-diffusion coefficient of the hard-sphere fluid: System size dependence and empirical correlations

Article Abstract:

Several molecular dynamics simulations are used to calculate and measure the self-diffusion coefficient, D, of the hard sphere fluid over a wide density range and for different number of particles, as it is highly density and temperature dependant. The results prove that the mean free path is the dominant factor affecting the coefficient in the zero density limits, whereas macroscopic hydrodynamic effects become more important at intermediate densities.

Analysis, Liquids, Molecular dynamics, Thermal properties, Diffusion, Diffusion (Physics), Fluid density

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On the construction of particle distributions with specified single and pair densities

Article Abstract:

The necessary conditions for the existence of a probability distribution on particle configurations in d-dimensions, that is, a point process, compatible with a specified density rho and radial distribution function g(r). It is proved that these conditions are satisfied for the case g(r) = 0, r < D and g(r) = 1, r > D, if and only if rhoD <= e(super -1), that is the maximum density obtainable from diluting a Poisson process.

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Quantum master equation approach to the second hyperpolarizability of nanostar dendritic systems

Article Abstract:

The dynamic second hyperpolarizability (gamma) of nanostar dendritic systems is investigated using the quantum master equation approach. The obtained results suggests that the possibility of mutual control of hyperpolarizability spectrum and energy migration by modifying the architecture of dendritic systems.

Energy transformation

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