Computational Materials Science2022,Vol.2038.DOI:10.1016/j.commatsci.2021.111130

External-induced self-assembly of semi-flexible polymers on spherical shell

Wang, Deyin Wen, Xiaohui Zhang, Dong Chai, Aihua
Computational Materials Science2022,Vol.2038.DOI:10.1016/j.commatsci.2021.111130

External-induced self-assembly of semi-flexible polymers on spherical shell

Wang, Deyin 1Wen, Xiaohui 1Zhang, Dong 2Chai, Aihua3
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作者信息

  • 1. Chengdu Univ Technol
  • 2. Zhejiang Univ
  • 3. Jiaxing Univ
  • 折叠

Abstract

Self-assembly behavior of semiflexible polymers on rigid spherical shell is investigated using the molecular dynamics (MD) simulation method. We find that the conformation of semiflexible polymers depends on the length of polymers and bending energy of polymer chains. For moderate adhesive strength and bending energy, the polymers aggregate into multiple clusters, each of which contains several parallel chains. Simultaneously, the self-assembly conformations, volley-ball, helical and tennis-ball state, form on spherical shell depend on the number of clusters. We quantify the self-assembly conformation and analysis its physical mechanics of formation. This work may provide a theoretical foundation for the future theories of conformation prediction and material fabrication.

Key words

Self-assembly conformations/Spherical shell/Polymer chains/Molecular dynamics simulation/DNA/TRANSITION/DYNAMICS/NANOPARTICLES/PARTICLES/SURFACE/SILICA/ORDER

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出版年

2022
Computational Materials Science

Computational Materials Science

EISCI
ISSN:0927-0256
被引量1
参考文献量43
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