멀티스케일 해석을 통한 고분자 나노복합재의 계면 상 두께와 열탄성 물성 도출

Abstract

In this study, a multiscale method for solving a thermoelasticity problem for interphase in the polymeric nanocomposites is developed. Molecular dynamics simulation and finite element analysis were numerically combined to describe the geometrical boundaries and the local mechanical response of the interfacial region where the polymer networks were highly interacted with the nanoparticle surface. Also, the micrmechanical thermoelasticity equations were applied to the obtained equivalent continuum unit to compute the growth of interphase thickness according to the size of nanoparticles, as well as the thermal phase transition behavior at a wide range of temperatures. Accordingly, the equivalent continuum model obtained from the multiscale analysis provides a meaningful description of the thermoelastic behavior of interphase as well as its nanoparticle size effect on thermoelasticity at both below and above the glass transition temperature.