A quantitative interphase model for polymer nanocomposites: Verification, validation, and consequences regarding size effects

The enhanced mechanical behavior of polymer nanocomposites with spherical filler particles is attributed to the formation matrix-filler interphases. nano-scale leads particularly high interphase volume fractions while rendering experimental investigations extremely difficult. Previously, we introduced a molecular dynamics-based model capturing crucial spatial profiles elastic and inelastic properties inside interphase. This contribution demonstrates that our captures nanocomposites’ essential characteristics reported from experiments. To this end, thoroughly verify validate before discussing resulting local plastic strain distribution. Furthermore, obtain reinforcement in terms overall stiffness for smaller higher contents, influence particle spacing seems negligible, matching observations literature. paper proposes methodology unravel underlying complex translate findings into engineering quantities accessible broader audience technical applications.