The dynamics of 4-cyano-4-n-pentylbiphenyl (5CB) mesogen molecules located between graphene layers - MD study

摘要

The ultrathin film of mesogenic molecules 5CB confined between graphene walls has been investigated by molecular dynamics (MD) technique. The dynamical observables of 4-cyano-4-n-pentylbiphenyl (5CB) were calculated for several temperatures: the mean square displacement, translational and angular velocity autocorrelation function, and second-rank order parameter.