Distribution of Mechanical Properties in Poly(ethylene oxide)/silica Nanocomposites via Atomistic Simulations: From the Glassy to the Liquid State.

ABSTRACT: Polymer nanocomposites exhibit a heterogeneous mechanical behavior that is strongly dependent on the interaction between the polymer matrix and the nanofiller. Here, we provide a detailed investigation of the mechanical response of model polymer nanocomposites under deformation, across a range of temperatures, from the glassy regime to the liquid one, via atomistic molecular dynamics simulations. We study the poly(ethylene oxide) matrix with silica nanoparticles (PEO/SiO₂) as a model polymer nanocomposite system with attractive polymer/nanofiller interactions. Probing the properties of polymer chains at the molecular level reveals that the effective mass density of the matrix and interphase regions changes during deformation. This decrease in density is much more pronounced in t

SUBMITTER: Reda H 

PROVIDER: S-EPMC11190983 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature