Abstract
We apply recently derived Green-Kubo relations for the various elements of the self-diffusion tensor (SDT) of shearing fluids to three different model systems of rodlike molecules: the Tildesley-Madden model for carbon disulfide, the Gay-Berne fluid, and the Ryckaert-Bellemans model for decane. We study how the various elements of the SDT depend on the shear rate. This dependence is explained in greater detail by examining the various velocity autocorrelation functions, the order parameter, and the shear induced rotation rate. We find that two different mechanisms are responsible for the behavior of the diagonal elements of the SDT. The first is the elliptical distortion of the nearest-neighbor shell and enhances the diagonal elements of the SDT. The second is the shear alignment of the molecules. This facilitates diffusion in the alignment direction and suppresses diffusion in the perpendicular direction. We also suggest ``collision'' sequences that are responsible for the sign of the off-diagonal elements of the SDT.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
