Study of Critical Dynamics in Fluid via Molecular Dynamics in Canonical Ensemble
Statistical Mechanics
2018-04-17 v2
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 Nos\'{e}-Hoover and dissipative particle dynamics thermostats are useful for the calculations of mutual diffusivity and shear viscosity. The Nos\'{e}-Hoover thermostat, however, appears inadequate for the study of bulk viscosity.
Keywords
Cite
@article{arxiv.1311.6391,
title = {Study of Critical Dynamics in Fluid via Molecular Dynamics in Canonical Ensemble},
author = {Sutapa Roy and Subir K. Das},
journal= {arXiv preprint arXiv:1311.6391},
year = {2018}
}
Comments
5 pages, 4 figures in European Physical Journal E 2015