Publications by authors named "S Khrapak"

We calculate the shear relaxation times in four important simple monatomic model fluids: Lennard-Jones, Yukawa, soft-sphere, and hard-sphere fluids. It is observed that in properly reduced units, the shear relaxation times exhibit quasiuniversal behavior when the density increases from the gaslike low values to the high-density regime near crystallization. They first decrease with density at low densities, reach minima at moderate densities, and then increase toward the freezing point.

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The purpose of this paper is to discuss to which extent a microscopic version of the Stokes-Einstein (SE) relation without the hydrodynamic radius applies to liquid water. We demonstrate that the self-diffusion and shear viscosity data for five popular water models, recently reported by Ando [J. Chem.

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The entropy of strongly coupled Yukawa fluids is discussed from several perspectives. First, it is demonstrated that a vibrational paradigm of atomic dynamics in dense fluids can be used to obtain a simple and accurate estimate of the entropy without any adjustable parameters. Second, it is explained why a quasiuniversal value of the excess entropy of simple fluids at the freezing point should be expected, and it is demonstrated that a remaining very weak dependence of the freezing point entropy on the screening parameter in the Yukawa fluid can be described by a simple linear function.

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A modified shoving model is applied to estimate the location of the glass transition in a one-component plasma. The estimated value of the coupling parameter Γ ≃ 570 at the glass transition is compared with other predictions available in the literature.

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Molecular dynamical simulations are performed to investigate the scaling of the transverse sound speed in two-dimensional (2D) and 3D Yukawa fluids. From the calculated diagnostics of the radial distribution function, the mean-squared displacement, and the Pearson correlation coefficient, the approximate isomorphic curves for 2D and 3D liquidlike Yukawa systems are obtained. It is found that the structure and dynamics of 2D and 3D liquidlike Yukawa systems exhibit the isomorphic property under the conditions of the same relative coupling parameter Γ/Γ_{m}=const.

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