Ionic Polymer Nanocomposites Subjected to Uniaxial Extension: A Nonequilibrium Molecular Dynamics Study.

ABSTRACT: We explore the behavior of coarse-grained ionic polymer nanocomposites (IPNCs) under uniaxial extension up to 800% strain by means of nonequilibrium molecular dynamics simulations. We observe a simultaneous increase of stiffness and toughness of the IPNCs upon increasing the engineering strain rate, in agreement with experimental observations. We reveal that the excellent toughness of the IPNCs originates from the electrostatic interaction between polymers and nanoparticles, and that it is not due to the mobility of the nanoparticles or the presence of polymer-polymer entanglements. During the extension, and depending on the nanoparticle volume fraction, polymer-nanoparticle ionic crosslinks are suppressed with the increase of strain rate and electrostatic strength, while the mean pore rad

SUBMITTER: Moghimikheirabadi A 

PROVIDER: S-EPMC8621629 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature