|
Conclusion |
|
Both
high density and low density simulations yielded interesting, preliminary, results.
High density cases showed, what may be, the onset of microphase
separation and some sort or local nematic ordering.
The site averaged radial distribution functions seemingly match the RISM
results qualitatively even when the system is still not believed to be fully
equilibrated. The proposed structures from the RISM approach do not seem to
occur readily but instead a parallel alignment of the rods does instead.
These structures cannot be ruled out though as much more work on this is in
progress. The low density cases;on the other hand,
showed what might, still be, a nematic ordering.
Lower density systems (ex. packing fraction of 0.001) need to be simulated to
determine what is causing this ordering (simulation related caveat – local
minimum/not equilibrated/etc., or actually physically justified). 100,000
iterations are not enough to simulate such a system as evident from the
traces and visuals of the systems. Future work will include calculating the
radial distribution function for much more than what was already displayed,
looking at much lower densities, and much longer runs for all systems. Other
initializations are going to be looked at as the initial conditions could be
lingering around in our simulations. Other initial conditions will be based one
some hypothesized energetically favorable structures This system has not been
exhausted and there is much more work to do to confirm or refute what was
shown so far as well running more tests to further support the validity of
our code which was done 99% in house. |
