Abstract

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.

Details

Title
Self-assembly of dumbbell-shaped supramolecules with simulated annealing and Monte Carlo simulation
Author
Du, Bo; Wang, Qing; Li, Congying; Li, Hong
Publication year
2022
Publication date
2022
Publisher
EDP Sciences
ISSN
22747214
e-ISSN
2261236X
Source type
Conference Paper
Language of publication
English
ProQuest document ID
3185168512
Copyright
© 2022. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and conditions, you may use this content in accordance with the terms of the License.