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Molecular dynamics of 5CB mesogene molecules covering graphene layer  – computer simulation                      

Krzysztof M. Górny ,  Wojciech Gwizdała ,  Zygmunt Gburski 

University of Silesia, Institute of Physics, Uniwersytecka 4, Katowice 40-007, Poland


    The ultrathin film of mesogenous molecules 5CB covering a graphene wall 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, diffusion coefficient, translational and angular velocity autocorrelation function, … etc. The comparison with the properties of pure 5CB cluster  (without graphene) is presented and discussed.


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Related papers

Presentation: Poster at E-MRS Fall Meeting 2008, Symposium G, by Krzysztof M. Górny
See On-line Journal of E-MRS Fall Meeting 2008

Submitted: 2008-05-14 14:34
Revised:   2009-06-07 00:48