Spatial-decomposition analysis of viscosity with application to Lennard-Jones fluid

A spatial-decomposition formula is presented for viscosity. In this formula, a time correlation function conditioned by the distance between a pair of particles is introduced for the stresses exerted on the pair and is integrated over the whole region of the pair distance to determine the pair-corre...

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Bibliographic Details
Published in:The Journal of chemical physics 2018-03, Vol.148 (9)
Main Authors: Tu, Kai-Min, Kim, Kang, Matubayasi, Nobuyuki
Format: Article
Language:English
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Summary:A spatial-decomposition formula is presented for viscosity. In this formula, a time correlation function conditioned by the distance between a pair of particles is introduced for the stresses exerted on the pair and is integrated over the whole region of the pair distance to determine the pair-correlation effect on the viscosity. The spatial-decomposition formula is then applied to the Lennard-Jones fluid at three thermodynamic states. The extent of spatial localization of the stress-stress correlation of pairs of Lennard-Jones particles is analyzed, and it is found that the contribution from neighboring pairs to the viscosity is large at high densities. The presence of long-range components is further pointed out and is shown to arise due to the periodicity of a simulated cell.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.5018483