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  • 标题:Self-assembly of dumbbell-shaped supramolecules with simulated annealing and Monte Carlo simulation
  • 本地全文:下载
  • 作者:Bo Du ; Qing Wang ; Congying Li
  • 期刊名称:MATEC Web of Conferences
  • 电子版ISSN:2261-236X
  • 出版年度:2022
  • 卷号:358
  • 页码:1-4
  • DOI:10.1051/matecconf/202235801027
  • 语种:English
  • 出版社:EDP Sciences
  • 摘要:The self-assembly structures of dumbbell-shaped supramolecules are investigated using a simple sphere-rod-sphere (SRS) model. Through the simulated annealing Monte Carlo simulation under NVT condition, two variations of this model, i.e. the rigid/semi-rigid model, are compared by their order parameters. We found that, by varying the interactions of this SRS model, various nanostructures such as cross-linked networks, clusters phases, bundle-like nanowires and other order phases are discovered. The formation mechanism of these novel nanostructures is discussed.
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