A study of the anisotropy of stress in a fluid confined in a nanochannel

Remco Hartkamp, A. Ghosh, T. Weinhart, S. Luding

Research output: Contribution to journalArticleAcademicpeer-review

45 Citations (Scopus)
129 Downloads (Pure)

Abstract

We present molecular dynamics simulations of planar Poiseuille flow of a Lennard-Jones fluid at various temperatures and body forces. Local thermostatting is used close to the walls to reach steady-state up to a limit body force. Macroscopic fields are obtained from microscopic data by time- and space-averaging and smoothing the data with a self-consistent coarse-graining method based on kernel interpolation. Two phenomena make the system interesting: (i) strongly confined fluids show layering, i.e., strong oscillations in density near the walls, and (ii) the stress deviates from the Newtonian fluid assumption, not only in the layered regime, but also much further away from the walls. Various scalar, vectorial, and tensorial fields are analyzed and related to each other in order to understand better the effects of both the inhomogeneous density and the anisotropy on the flow behavior and rheology. The eigenvalues and eigendirections of the stress tensor are used to quantify the anisotropy in stress and form the basis of a newly proposed objective, inherently anisotropic constitutive model that allows for non-collinear stress and strain gradient by construction.
Original languageEnglish
Article number044711
Pages (from-to)1-19
Number of pages19
JournalJournal of chemical physics
Volume137
Issue number4
DOIs
Publication statusPublished - 31 Jul 2012

Keywords

  • METIS-288471
  • IR-81850

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