Abstract
We report results from a constant NVE molecular dynamics simulation of a 50:50 mixture of Gay-Berne rods with axial ratios of 35 to 1 and 3 to 1. The simulation makes use of a recently developed extension of the Gay-Berne potential which allows simulation of non-equivalent anisotropic molecules with attractive interactions. There is clear evidence of pre-smectic ordering in the nematic phase. The system undergoes a well defined transition from the nematic phase to a randomly mixed smectic phase. There is some local compositional ordering within the smectic layers but no evidence of demixing. In both the nematic and smectic phases it is found that the longer molecules have a higher [S] order parameter than the shorter molecules. This difference in order parameter is at its greatest a little below the isotropic-nematic transition temperature and decreases as the smectic phase is approached.
Published Version
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 callDisclaimer: 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.
