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Dispersion relations of Yukawa fluids at weak and moderate coupling

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 Added by Sergey Khrapak
 Publication date 2020
  fields Physics
and research's language is English




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In this paper we compare different theoretical approaches to describe the dispersion of collective modes in Yukawa fluids when the inter-particle coupling is relatively weak, so that kinetic and potential contributions to the dispersion relation compete. Thorough comparison with the results from molecular dymamics simulation allows us to conclude that in the regime investigated the best description is provided by the sum of the generalized excess bulk modulus and the Bohm-Gross kinetic term.



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The high frequency (instantaneous) shear modulus of three-dimensional Yukawa systems is evaluated in a wide parameter range, from the very weakly coupled gaseous state to the strongly coupled fluid at the crystallization point (Yukwa melt). This allows us to quantify how shear rigidity develops with increasing coupling and inter-particle correlations. The radial distribution functions (RDFs) needed to calculate the excess shear modulus have been obtained from extensive molecular dynamics (MD) simulations. MD results demonstrate that fluid RDFs appear quasi-universal on the curves parallel to the melting line of a Yukawa solid, in accordance with the isomorph theory of Roskilde-simple systems. This quasi-universality, allows to simplify considerably calculations of quantities involving integrals of the RDF (elastic moduli represent just one relevant example). The calculated reduced shear modulus grows linearly with the coupling parameter at weak coupling and approaches a quasi-constant asymptote at strong coupling. The asymptotic value at strong coupling is in reasonably good agreement with the existing theoretical approximation.
Simple practical approach to estimate thermodynamic properties of strongly coupled Yukawa systems, in both fluid and solid phases, is presented. The accuracy of the approach is tested by extensive comparison with direct computer simulation results (for fluids and solids) and the recently proposed shortest-graph method (for solids). Possible applications to other systems of softly repulsive particles are briefly discussed.
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