Coarse-grained Molecular Dynamics Simulations of Networks with Dynamic Crosslinks

DOI Web Site 18 References
  • YASUDA Yusuke
    National Institute of Advanced Industrial Science and Technology (AIST) Central 2

Bibliographic Information

Other Title
  • 可動な架橋点を持つ網目の粗視化分子動力学シミュレーション

Abstract

<p>The dynamics of the crosslinking points greatly influences the structure and mechanical properties of the cross-linked polymeric materials. Slide-ring gels and dynamic bond elastomers are known to have dynamic cross-links which can slide along the chain, and dissociate and re-associate, respectively, and those elastomers exhibit unique mechanical properties such as softness and toughness for slide-ring gels, and toughness, degradability, and self-healing properties for dynamic bond elastomers. In spite of the important role of the mobile cross-linking points, the motion of the cross-links can not be observed via experiments, and the relationship between the structure, dynamics and properties are unclear. Then we performed coarse-grained molecular dynamics simulations to solve those problems. In this paper, we introduce our approach using coarse-grained molecular dynamics simulations to clarify the structure-dynamics-properties relationship of networks having dynamic cross-links, using slide-ring gels and dynamic bond elastomers as examples.</p>

Journal

  • NIPPON GOMU KYOKAISHI

    NIPPON GOMU KYOKAISHI 97 (3), 68-73, 2024

    THE SOCIRETY OF RUBBER SCIENCE AND TECHNOLOGYY, JAPAN

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