Molecular dynamics simulation insight into topological structure dependence of self-healing polymer nanocomposites

Author:

Shang Wei1,Hou Guanyi1ORCID,Ren Runhan1,Li Xinyu2,Weng Yunxuan1,Liu Jun2ORCID

Affiliation:

1. College of Chemistry and Materials Engineering, Beijing Technology and Business University, Beijing, China

2. Center of Advanced Elastomer Materials, Beijing University of Chemical Technology, Beijing, China

Abstract

Topological NPs in PNCs were analyzed for their impact on performance. Linear NPs exhibited superior mechanics, while Ring NPs tended to stack due to their smooth shape. Cross NPs enabled spatial cross-linking among the NPs.

Funder

National Key Research and Development Program of China

Beijing Municipal Science and Technology Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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