2013 Fiscal Year Final Research Report
Molecular fluid simulation for self-organized/self-assembled pattern formation by applying group theory
| Project/Area Number |
24656126
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Single-year Grants |
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| Research Field |
Fluid engineering
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| Research Institution | Osaka University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
DOI Kentaro 大阪大学, 基礎工学研究科, 准教授 (20378798)
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| Project Period (FY) |
2012-04-01 – 2014-03-31
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| Keywords | 分子流体力学 / 自己組織化 / 自己集合化 / 対称性 / 群論 / 分子流動シミュレーション |
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| Research Abstract |
To clarify a pattern formation mechanism resulting from self-organization or self-assembly of molecules, we have performed experimental observations, theoretical developments, and molecular dynamics simulations. We successfully visualized self-assembled patterns of DNA fragments on mica and highly oriented pyrolytic graphite surfaces by atomic force microscopy. In addition to a coarse-grained molecular dynamics simulation, a reaction-diffusion model is applied to represent slow growths of the self-assembled patterns, in which symmetries of surfaces can be implemented by symmetric functions resulting from irreducible representations of group theory. Consequently, various self-assembled patterns which depend on surface conditions could be simulated in the practical temporal and spatial scales in comparison with experiments. Some parameters sensitive to the surface conditions were found out.
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