Multiscale bridging method to characterize elasto-plastic properties of polymer nanocomposites

Abstract

A multiscale bridging method is proposed to describe the elasto-plastic behavior of polymer nanocomposites affected with the interphase elasto-plastic constitutive law (near the nanoparticle). The inverse characterization method of the interphase elasto–plastic constitutive law was proposed by combining full atomistic molecular dynamics and finite element homogenization. Based on the proposed multiscale bridging method, the influences of the crosslink ratio of the epoxy network and radius of nanoparticles on the elasto-plastic behavior of the interphase were investigated. Additionally, a multiscale homogenization analysis of the representative volume element of the multi-particulate systems was conducted using the elasto–plastic constitutive law of interphase.

Keywords:

• Nano composites
• interphase
• plastic deformation
• multiscale modeling
• molecular dynamics

Additional information

Funding

This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (No. 2021R1C1C1004353).