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    Zhi-yong Yang, Ai-hua Chai, Ping Li, Yong-fu Yang. Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites[J]. Chinese Journal of Chemical Physics , 2016, 29(3): 381-388. DOI: 10.1063/1674-0068/29/cjcp1511231
    Citation: Zhi-yong Yang, Ai-hua Chai, Ping Li, Yong-fu Yang. Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites[J]. Chinese Journal of Chemical Physics , 2016, 29(3): 381-388. DOI: 10.1063/1674-0068/29/cjcp1511231

    Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites

    • By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in selfattractive semiflexible polymer/nanoparticle composites. The conformation of self-attractive semiflexible polymers depends on bending energy and self-attractive interactions between monomers in polymer chains. A three-stage process of toroid formation for self-attractive semiflexible chains is shown: several isolated toroids, a loose toroid structure, and a compact toroid structure. Utilizing the compact toroid conformations of self-attractive semiflexible chains, we can control effectively the spatial distributions of nanoparticles in self-attractive semiflexible polymer nanocomposites, and an unconventional toroid structure of nanoparticles is observed.
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