Computer simulations of nematic drops: Coupling between drop shape and nematic order

LF Rull, JM Romero-Enrique… - The Journal of Chemical …, 2012 - pubs.aip.org
We perform Monte Carlo computer simulations of nematic drops in equilibrium with their
vapor using a Gay-Berne interaction between the rod-like molecules. To generate the drops,
we initially perform NPT simulations close to the nematic-vapor coexistence region, allow
the system to equilibrate and subsequently induce a sudden volume expansion, followed
with NVT simulations. The resultant drops coexist with their vapor and are generally not
spherical but elongated, have the rod-like particles tangentially aligned at the surface and …
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