Ichiro Ichikawa

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Computer Aided Innovation of New Materials II#R##N#Proceedings of the Second International Conference and Exhibition on Computer Applications to Materials and Molecular Science and Engineering–CAMSE '92, Pacifico Yokohama, Yokohama, Japan, September 22–25, 1992 | 1993

Shinya Fukutomi; Ichiro Ichikawa; Mototsugu Yoshida; Akinobu Shiga

Molecular dynamics simulations are studied using mesogenic core model for liquid crystalline polymer. A temperature dependence of L/D ratio of the mesogen is analyzed. Simulations for typical liquid crystalline molecule TBBA (telephthal-bis-4-n-buthylaniline) are carried out under the constant temperature(at 100K intervals in the region 100–1000K). Time-averaged L/D calculated from the simulation data becomes smaller as temperature becomes higher. A deflection point exists in the region 500K-600K. Standard deviation of L/D changes drastically in the region 520K-540K. This temperature region corresponds to experimental isotropic-nematic transition temperature.

Archive | 1976