Earlier simulations (Renato Lukac 1995) on Gay-Berne molecules showed:
Compression
Demixing in a layered (smectic) structure:
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rho=0.40
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rho=0.56
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Note: at that temperature (1.25) the pure GB fluid does not
exhibit a smectic phase!
Theory?
Entropic effect /
Study using hard particles!
F. J. Vesely / University of Vienna