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

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.

Identiferoai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0826108-182101
Date26 August 2008
CreatorsHuang, Wei-lin
ContributorsMing-Son Liao, Shin-Pon Ju, Jenn-Sen Lin, Jee-Gong Chang, Jin-Yuan Hsieh
PublisherNSYSU
Source SetsNSYSU Electronic Thesis and Dissertation Archive
LanguageCholon
Detected LanguageEnglish
Typetext
Formatapplication/pdf
Sourcehttp://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0826108-182101
Rightswithheld, Copyright information available at source archive

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