Title :
Modeling of interaction of chiral mesogen with carbon nanotube
Author :
Smirnova, M.V. ; Sotsky, V.V. ; Smirnova, A.I. ; Usol´tseva, N.V. ; Kazak, A.V.
Author_Institution :
Ivanovo Inst. of the State Firefighting Service, Ivanovo, Russia
Abstract :
The possibility of supramolecular organization modeling of a cholesteric liquid crystalline (ChLC) matrix was shown by molecular dynamics simulation using the all-atom model. The supramolecular organization of ChLC mesogen and ChLC - a single walled carbon nanotube composite was estimated and 3D-model of a cholesteric phase of the studied compound was obtained. The effect of a carbon nanotube on the order parameter of ChLC molecules in the cholesteric phase was determined.
Keywords :
carbon nanotubes; chirality; cholesteric liquid crystals; intermolecular mechanics; macromolecules; molecular dynamics method; 3D model; all-atom model; chiral mesogen; cholesteric liquid crystal matrix; cholesteric phase; molecular dynamics simulation; single walled carbon nanotube composite; supramolecular organization modeling;
Conference_Titel :
Microwave & Telecommunication Technology (CriMiCo), 2014 24th International Crimean Conference
Conference_Location :
Sevastopol
Print_ISBN :
978-966-335-412-5
DOI :
10.1109/CRMICO.2014.6959606
