Study of Critical Dynamics in Fluid via Molecular Dynamics in Canonical Ensemble
arXiv:1311.6391 · doi:10.1140/epje/i2015-15132-2
Abstract
With the objective of demonstrating usefulness of thermostats in the study of dynamic critical phenomena in fluids, we present results for transport properties in a binary Lennard-Jones fluid that exhibits liquid-liquid phase transition. Results from the molecular dynamics simulations in canonical ensemble, with various thermostats, are compared with those from microcanonical ensemble. It is observed that the Nosé-Hoover and dissipative particle dynamics thermostats are useful for the calculations of mutual diffusivity and shear viscosity. The Nosé-Hoover thermostat, however, appears inadequate for the study of bulk viscosity.
5 pages, 4 figures in European Physical Journal E 2015
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