2013/11/30 by Sutapa Roy, Subir K. Das
Engineering · Materials Science · Mathematics · Physics and Astronomy · #Canonical ensemble #Dissipative particle dynamics #Dissipative system #Material Dynamics and Properties #Mathematics #Microcanonical ensemble #Molecular dynamics #Monte Carlo method #Phase Equilibria and Thermodynamics #Physics #Quantum mechanics #Shear viscosity #Statistical physics #Theoretical and Computational Physics #Thermal diffusivity #Thermodynamics #Thermostat #Viscosity #cond-mat.stat-mech
paper · pdf · doi:10.1140/epje/i2015-15132-2
published as European Physical Journal E 38, 132 (2015) · 5 pages, 4 figures in European Physical Journal E 2015
openalex publication_date 2015/12/01 · arxiv created 2015/12/04 · arxiv updated 2018/04/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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.