Bulk viscosity of the Lennard-Jones system at the triple point by dynamical Non Equilibrium Molecular Dynamics

Details Bulk viscosity of the Lennard-Jones system at the triple point by dynamical Non Equilibrium Molecular Dynamics Bulk viscosity of the Lennard-Jones system at the triple point by dynamical Non Equilibrium Molecular Dynamics

2008-03-24

arxiv.org/abs/0803.3438v2

Physics

Condensed Matter

Soft Condensed Matter

27 pages, 11 figures

Scientific paper

10.1103/PhysRevE.78.021204

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.

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