Dynamic and Static Mechanical Properties of Crosslinked Polymer Matrices: Multiscale Simulations and Experiments.

ABSTRACT: We studied the static and dynamic mechanical properties of crosslinked polymer matrices using multiscale simulations and experiments. We continued to develop the multiscale methodology for generating atomistic polymer networks, and applied it to the case of phthalonitrile resin. The mechanical properties of the resulting networks were analyzed using atomistic molecular dynamics (MD) and dissipative particle dynamics (DPD). The Young's and storage moduli increased with conversion, due both to the appearance of a network of covalent bonds, and to freezing of degrees of freedom and lowering of the glass transition temperature during crosslinking. The simulations' data showed good quantitative agreement with experimental dynamic mechanical analysis measurements at temperatures below the glass

SUBMITTER: Guseva DV 

PROVIDER: S-EPMC6403808 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature