Abstract
With the aim of locating the origin of discrepancy between experimental and computer simulation results on bulk viscosity of liquid argon, a molecular dynamic simulation of argon interacting via ab initio pair potential and triple-dipole three-body potential has been undertaken. Bulk viscosity, obtained using Green-Kubo formula, is different from the values obtained from modeling argon using Lennard-Jones potential, the former being closer to the experimental data. The conclusion is made that many-body inter-atomic interaction plays a significant role in formation of bulk viscosity.
Highlights
Argon above its melting temperature is a typical simple fluid
This paper presents the results of more accurate molecular dynamics simulations of a liquid consisting of 1372 argon atoms with ab initio+ATM interaction, which demonstrate that bulk viscosity, determined from Green-Kubo formulas, significantly changes with the account of three-body interaction, moving results towards experimental data
The message of this paper is that many-body interactions play a more substantial role in determining the value of the bulk viscosity than other transport coefficients
Summary
Argon above its melting temperature is a typical simple fluid. Consisting of spherical atoms that interact via short-range repulsion and long-range attraction and are heavy enough for the quantum effects to be small, fluid argon and heavier noble gases are an excellent choice of a real system to be used for testing various approaches in classical theory of fluids. When results of simulations with Lennard-Jones potential are rescaled in an attempt to describe experimental data liquid argon, bulk viscosity, contrary to other kinetic properties, appears strongly underestimated Previous molecular dynamics simulations of systems consisting of 108 particles interacting via ab initio pair potential and Axilrod-Teller-Muto (ATM) interaction indicated that a tripledipole interaction does not affect the bulk viscosity of liquid xenon near its triple point and dense gaseous krypton.. This paper presents the results of more accurate molecular dynamics simulations of a liquid consisting of 1372 argon atoms with ab initio+ATM interaction, which demonstrate that bulk viscosity, determined from Green-Kubo formulas, significantly changes with the account of three-body interaction, moving results towards experimental data
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