Combining Monte Carlo algorithm and coarse-grained model to study the characteristics of liquid crystal

• Main Authors: Wei-lin Huang, 黃暐霖
• Other Authors: Shin-Pon Ju
• Format: Others
• Language: zh-TW
• Published: 2008
• Online Access: http://ndltd.ncl.edu.tw/handle/r8h6fm

碩士 === 國立中山大學 === 機械與機電工程學系研究所 === 96 === Configuration-bias Monte Carlo simulation is used to investigate the structural property of liquid crystal. Our results show that the surface molecules of the smaller nanoclusters are formed the helical structure, In addition, the morphologies of nanoclusters show a tube-like structure when the surface molecules formed the helical structure; however, as the surface molecules do not form the helical structure, the morphologies of nanoclusters become a ball-like structure. For the tube-like structure, because of the configurations of nanoclusters are simpler, the nanoclusters will show an order structure. In the case of the ball-like structure, the molecules will attract with others, so the nanocluster reveals an ordered structure at local area. According to the result of the averaged order parameters, as the averaged order parameter larger than 0.5, the configuration of nanocluster will be a tube-like structure, while as the averaged order parameters smaller than 0.5, the configuration of nanocluster will form a ball-like structure.