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Accurate computer simulation calculations of hydrodynamic transport coefficients are notoriously expensive. In this paper we develop a method based on the non-equilibrium molecular dynamics of Ashurst and Hoover 1 which calculates the spectrum of stress-stress correlation with greater efficiency than has hitherto been possible. The calculation shows that a potential function for methane, due to Williams 2, predicts a zero frequency shear viscosity within 10 per cent of the experimental value. The spectrum of stress-stress correlation gives clear evidence of a t -3/2 long-time tail. It is shown that the spectrum is not a monotonic decreasing function of frequency. This has not been seen in computer simulation before but is in agreement with the mode-coupling prediction of Bosse et al. 3.
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Denis J. Evans (Fri,) studied this question.
www.synapsesocial.com/papers/6a08ec5cafc616802fe4b90e — DOI: https://doi.org/10.1080/00268977900101291
Denis J. Evans
Molecular Physics
Australian National University
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