Molecular dynamics simulation of nCB series
6th International Conference of the Balkan-Physical-Union, İstanbul, Türkiye, 22 - 26 Ağustos 2006, cilt.899, ss.607, (Tam Metin Bildiri)
- Yayın Türü: Bildiri / Tam Metin Bildiri
- Cilt numarası: 899
- Doi Numarası: 10.1063/1.2733348
- Basıldığı Şehir: İstanbul
- Basıldığı Ülke: Türkiye
- Sayfa Sayıları: ss.607
- Anahtar Kelimeler: order parameter, biaxiality, odd-even effect
- Dokuz Eylül Üniversitesi Adresli: Hayır
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.