DocumentCode
156395
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
fYear
2014
fDate
7-13 Sept. 2014
Firstpage
730
Lastpage
731
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;
fLanguage
English
Publisher
ieee
Conference_Titel
Microwave & Telecommunication Technology (CriMiCo), 2014 24th International Crimean Conference
Conference_Location
Sevastopol
Print_ISBN
978-966-335-412-5
Type
conf
DOI
10.1109/CRMICO.2014.6959606
Filename
6959606
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