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Effect of Bonded Interfacial Structure on Mechanical Properties of Polyimide/SiO 2 Composites: Molecular Dynamics Simulations
Author(s) -
Wang Yu,
Yang Wenlong,
Liu Xinmei,
Lin Jiaqi,
Sun Hongguo
Publication year - 2020
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.202070001
Subject(s) - composite material , materials science , molecular dynamics , modulus , hydrogen bond , ultimate tensile strength , polyimide , particle (ecology) , young's modulus , molecule , computational chemistry , layer (electronics) , chemistry , oceanography , organic chemistry , geology
Front Cover : Molecular dynamics simulation is used to investigate the effect of bonded interface on the mechanical performances of the PI/SiO 2 composites. The interfacial non‐bond energy, the number of the hydrogen bonds, tensile strength, Young's modulus and shear modulus are investigated. As the SiO 2 concentration increased, the non‐bond interaction energy between each PI chain and SiO 2 particle increased and the non‐bond interaction energy in the bonded composites are higher than that of the unbonded. This is reported by Yu Wang, Wenlong Yang, Xinmei Liu, Jiaqi Lin, and Hongguo Sun in article 1900045.