High-precision molecular-dynamics (MD) data are reported for the shear viscosity eta of the Lennard-Jones liquid at its triple point, as a function of the shear rate epsilon for a large system (N = 2048). The Green-Kubo (GK) value eta(epsilon = 0) = 3.24 +/- 0.04 is estimated from a run of 3.6 x 10(6) steps (40 nsec). We find no numerical evidence of a t-3/2 long-time tail for the GK integrand (stress-stress time-correlation function). From our nonequilibrium MD results, obtained both at small and large values of epsilon, a consistent picture emerges that supports an analytical (quadratic at low shear rate) dependence of the viscosity on epsilon.

Shear-rate dependence of the viscosity of the Lennard-Jones liquid at the triple point / Ferrario, Mauro; Ciccotti, G.; Holian, B. L.; Ryckaert, J. P.. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - STAMPA. - 44:(1991), pp. 6936-6939. [10.1103/PhysRevA.44.6936]

Shear-rate dependence of the viscosity of the Lennard-Jones liquid at the triple point

FERRARIO, Mauro;
1991

Abstract

High-precision molecular-dynamics (MD) data are reported for the shear viscosity eta of the Lennard-Jones liquid at its triple point, as a function of the shear rate epsilon for a large system (N = 2048). The Green-Kubo (GK) value eta(epsilon = 0) = 3.24 +/- 0.04 is estimated from a run of 3.6 x 10(6) steps (40 nsec). We find no numerical evidence of a t-3/2 long-time tail for the GK integrand (stress-stress time-correlation function). From our nonequilibrium MD results, obtained both at small and large values of epsilon, a consistent picture emerges that supports an analytical (quadratic at low shear rate) dependence of the viscosity on epsilon.
44
6936
6939
Shear-rate dependence of the viscosity of the Lennard-Jones liquid at the triple point / Ferrario, Mauro; Ciccotti, G.; Holian, B. L.; Ryckaert, J. P.. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - STAMPA. - 44:(1991), pp. 6936-6939. [10.1103/PhysRevA.44.6936]
Ferrario, Mauro; Ciccotti, G.; Holian, B. L.; Ryckaert, J. P.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/452368
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