Self-diffusion in strongly driven flows: A non-equilibrium molecular dynamics study

A. Baranyai, Peter T. Cummings

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The self-diffusion of simple liquids is studied in the presence of strong shear-free flow fields. At the state point of the system the shape of the velocity autocorrelation function is markedly different in the extension or contraction directions of elongation flow. Despite this pronounced directional dependence of the autocorrelation functions, the diagonal elements of the diffusion tensor are more uniform than in the case of planar Couette flow.

Original languageEnglish
Pages (from-to)1307-1314
Number of pages8
JournalMolecular Physics
Volume86
Issue number6
DOIs
Publication statusPublished - Dec 20 1995

Fingerprint

Molecular Dynamics Simulation
Autocorrelation
autocorrelation
Molecular dynamics
molecular dynamics
Couette flow
free flow
elongation
contraction
Tensors
Elongation
Flow fields
flow distribution
tensors
shear
Liquids
liquids
Direction compound

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Molecular Biology
  • Biophysics

Cite this

Self-diffusion in strongly driven flows : A non-equilibrium molecular dynamics study. / Baranyai, A.; Cummings, Peter T.

In: Molecular Physics, Vol. 86, No. 6, 20.12.1995, p. 1307-1314.

Research output: Contribution to journalArticle

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