Investigation into the temperature dependence of isotropic- nematic phase transition of Gay- Berne liquid crystals

• Main Authors: A Avazpour, S M Hekmatzadeh
• Format: Article
• Language: English
• Published: Isfahan University of Technology 2014-12-01
• Series: Iranian Journal of Physics Research
• Subjects: Gay- Berne potential; direct correlation function; density functional theory; isotropic- nematic transition
• Online Access: http://ijpr.iut.ac.ir/browse.php?a_code=A-10-1-663&slc_lang=en&sid=1

Density functional approach was used to study the isotropic- nematic (I-N) transition and calculate the values of freezing parameters of the Gay- Berne liquid crystal model. New direct and pair correlation functions of a molecular fluid with Gay- Berne pair potential were used. These new functions were used in density functional theory as input to calculate the isotropic- nematic transition densities for elongation at various reduced temperatures. It was observed that the isotropic- nematic transition densities increase as the temperature increases. It was found that the new direct correlation function is suitable to study the isotropic- nematic transition of Gay- Berne liquids. Comparison to other works showed qualitative agreement