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Paper IPM / Nano-Sciences / 13101 |
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Abstract: | |||||
We have simulated the dynamics of a two-dimensional system of hard ellipses by event-oriented molecular
dynamics in microcanonical NVE ensemble.Various quantities, namely longitudinal and transverse velocity autocorrelation
functions, translational and rotational diffusion mean-squared displacements, pressure, intermediate
self-scattering function, radial distribution function, and angular spatial correlation, have been obtained and
their dependence on packing fraction is characterized. Despite absence of prominent positional ordering, the
orientational degree of freedom behaves nontrivially and exhibits interesting features. Slowing down is observed
in the angular part of the motion near isotropic-nematic phase transition. It is shown that above a certain packing
fraction the rotational mean-squared displacement exhibits a three-stage temporal regime including a plateau.
Comparison to 2D system of hard needles is made and it is shown that from positional viewpoint, the ellipse
system is more ordered.
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