Molecular dynamics simulation of nCB series


Capar M. I. , CEBE E.

6th International Conference of the Balkan-Physical-Union, İstanbul, Türkiye, 22 - 26 Ağustos 2006, cilt.899, ss.607 identifier identifier

  • Cilt numarası: 899
  • Basıldığı Şehir: İstanbul
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.607

Özet

This study describes the molecular dynamics (MD) simulations of the 4-n-alkyl-4'-cyanobiphenyl (nCB, n=5-9) liquid crystal homologous series at a selected temperature in the nematic phase. The order parameters and the biaxialities for five mesogens were found to be reasonable agreement with experiments. The orientational distributions of C-C bonds in alkyl chain of nCB were calculated and given for 6CB and 7CB. The odd-even effect was also discussed.