Bulk viscosity of the Lennard-Jones system at the triple point by dynamical Non Equilibrium Molecular Dynamics
Abstract
Non-equilibrium Molecular Dynamics (NEMD) calculations of the bulk viscosity of the triple point Lennard-Jones fluid are performed with the aim of investigating the origin of the observed disagreement between Green-Kubo estimates and previous NEMD data. We show that a careful application of the Doll's perturbation field, the dynamical NEMD method, the instantaneous form of the perturbation and the "subtraction technique" provides a NEMD estimate of the bulk viscosity at zero field in full agreement with the value obtained by the Green-Kubo formula. As previously reported for the shear viscosity, we find that the bulk viscosity exhibits a large linear regime with the field intensity which confirms the Lennard-Jones fluid as a genuine Newtonian fluid even at triple point.
Keywords
Cite
@article{arxiv.0803.3438,
title = {Bulk viscosity of the Lennard-Jones system at the triple point by dynamical Non Equilibrium Molecular Dynamics},
author = {Pier Luca Palla and Carlo Pierleoni and Giovanni Ciccotti},
journal= {arXiv preprint arXiv:0803.3438},
year = {2009}
}
Comments
27 pages, 11 figures