Structures and phase transition in a two-dimensional system of Gay-Berne molecules
作者： Pallabi Kundu , Pankaj Mishra , Anubha Jaiswal , Jokhan Ram
DOI: 10.1016/J.MOLLIQ.2019.111769
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摘要: Abstract We have used Percus-Yevick liquid integral equation theory and classical density functional of freezing to study the structure isotropic-nematic phase transitions in a two-dimensional system soft ellipses interacting via full Gay-Berne interaction potential. The accuracy pair-correlation functions given by has been tested those obtained NVT Monte-Carlo simulation. is found overestimate as we move either higher or case longer aspect ratio. Isotropic-nematic transition parameters calculated for three different systems characterized their major minor axis ratio κ = 3.0 , 3.5 4.0 at temperature T * 2.0 . same at 1.0 with Nematic stabilize all 2D GB ellipses. be weakly first order.
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