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Nature of the Breakdown in the Stokes-Einstein Relationship in a Hard Sphere Fluid



S K. Kumar, Grzegorz Szamel, Jack F. Douglas


Molecular Dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the propensity to hop distances which are integer multiples of the interparticle distance. We conclusively show that, even though the whole liquid violates the SE equation at high densities, the sedentary particles, i.e., ones complementary to the hoppers , obey the SE relationship. These results strongly support the notion that the unusual dynamics of fluids near vitrification are caused exclusively by the presence of these hoppers.
Journal of Chemical Physics


hard spheres, hopping, molecular dynamics, Stokes-Einstein relation


Kumar, S. , Szamel, G. and Douglas, J. (2006), Nature of the Breakdown in the Stokes-Einstein Relationship in a Hard Sphere Fluid, Journal of Chemical Physics, [online], (Accessed July 20, 2024)


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Created May 31, 2006, Updated October 12, 2021