Stokes-Einstein relation of the liquid metal rubidium and its relationship to changes in the microscopic dynamics with increasing temperature

Physical Review. E
F Demmel, A Tani

Abstract

For liquid rubidium the Stokes-Einstein (SE) relation is well fulfilled near the melting point with an effective hydrodynamic diameter, which agrees well with a value from structural investigations. A wealth of thermodynamic and microscopic data exists for a wide range of temperatures for liquid rubidium and hence it represents a good test bed to challenge the SE relation with rising temperature from an experimental point of view. We performed classical molecular dynamics simulations to complement the existing experimental data using a pseudopotential, which describes perfectly the structure and dynamics of liquid rubidium. The derived SE relation from combining experimental shear viscosity data with simulated diffusion coefficients reveals a weak violation at about 1.3T_{melting}≈400 K. The microscopic relaxation dynamics on nearest neighbor distances from neutron spectroscopy demonstrate distinct changes in the amplitude with rising temperature. The derived average relaxation time for density fluctuations on this length scale shows a non-Arrhenius behavior, with a slope change around 1.5T_{melting}≈450 K. Combining the simulated macroscopic self-diffusion coefficient with that microscopic average relaxation time, a distinct v...Continue Reading

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Citations

Nov 16, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·F Demmel
Oct 6, 2020·Physical Review Letters·Nikita P KryuchkovStanislav O Yurchenko
Jan 17, 2019·The Journal of Chemical Physics·Lorenzo CostigliolaJeppe C Dyre
Jul 10, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Sandro SzabóWinfried Petry

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