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 / M., Ferrario; Ciccotti, Giovanni; B. L., Holian; J. P., Ryckaert. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - 44:10(1991), pp. 6936-6939. [10.1103/physreva.44.6936]
SHEAR-RATE DEPENDENCE OF THE VISCOSITY OF THE LENNARD-JONES LIQUID AT THE TRIPLE POINT
CICCOTTI, Giovanni;
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
