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Understanding the Self‐Healing Mechanism of Polyurethane Elastomer Based on Hydrogen Bonding Interactions through Molecular Dynamics Simulation
Author(s) -
Chen Xianling,
Shen Zhihua,
Jia Huan,
Gao Yangyang,
Zhang Meng,
Luo Yanlong,
Luo Zhenyang
Publication year - 2022
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.202270003
Subject(s) - hydrogen bond , elastomer , molecular dynamics , self healing , polyurethane , materials science , mechanism (biology) , composite material , hydrogen , dynamics (music) , chemical physics , polymer science , polymer chemistry , computational chemistry , chemistry , molecule , physics , organic chemistry , medicine , alternative medicine , pathology , quantum mechanics , acoustics
Front Cover : The healing behavior of polyurethane elastomer is studied based on microcrack models by molecular dynamics simulation. Dynamic exchange is visually observed between different hydrogen bonds. Meanwhile, the strength, type, number of different types, and existence time of hydrogen bonds are elaborated. This study deepens the understanding of the mechanism about healing based on hydrogen bonding interactions. This is reported by Meng Zhang, Yanlong Luo, and co‐workers in article number 2100051.