抄録
In our previous work, we have shown that molecular dynamics (MD) simulation can obtain qualitatively the same orientational behavior of liquid crystal (LC) as experimental results by using simple LC/poly-acrylate interface model. In this work, we apply MD simulation to more practical system, interface between mixed LC and polydiacrylate with different alkyl sidechain length or without any sidechain. The system consists of isotropic RO571 (540 molecules, 11085 atoms) and amorphous polydiacrylate film (one chain, 7500 - 8000 atoms). Polydiacrylate is treated as liner chian model. LC have aligned during 12nsec MD run in almost all system, but the tilt angle of them is identically almost 30°. The result of analyzing the interface structure, the distribution of orientational order parameter near the interface, shows that network model for polydiacrylate is seemed to be necessary. This work has been carried out as ASET project supported by NEDO.
