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Non-equilibrium molecular dynamics calculations on the shear viscosity of hard spheres

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  • Erpenbeck, Jerome J.

Abstract

The coefficient of shear viscosity is computed by two non-equilibrium molecular dynamics methods related to those of Lees and Edwards, Evans, and Ashurst and Hoover for hard sphere systems at a fluid density near the solid transition density. One of the methods is isothermal in that it arbitrarily rescales the peculiar velocities. The other permits the system to heat with time. The resulting viscosities are found to agree within the statistical uncertainties for all values of the shear rate studied. Moreover, the non-equilibrium results would appear to be consistent with the zero-shear-rate Green-Kubo results. However, the calculated viscosity shows no evidence for a square-root dependence on shear rate, within the rather large statistical uncertainties, particularly at small shear rate. Moreover, if we deduce a square-root dependence from the previously observed long-time tail of the shear viscosity through the Zwanzig relation, then these viscositees appear to disagree significantly.

Suggested Citation

  • Erpenbeck, Jerome J., 1983. "Non-equilibrium molecular dynamics calculations on the shear viscosity of hard spheres," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 118(1), pages 144-156.
    • Handle: RePEc:eee:phsmap:v:118:y:1983:i:1:p:144-156
    DOI: 10.1016/0378-4371(83)90183-8
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