Self-assembly of dumbbell-shaped supramolecules with simulated annealing and Monte Carlo simulation
نویسندگان
چکیده
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 this model, i.e. rigid/semi-rigid compared by their order parameters. We found that, varying interactions SRS various nanostructures such as cross-linked networks, clusters phases, bundle-like nanowires and other phases discovered. formation mechanism these novel is discussed.
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ژورنال
عنوان ژورنال: MATEC web of conferences
سال: 2022
ISSN: ['2261-236X', '2274-7214']
DOI: https://doi.org/10.1051/matecconf/202235801027