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ICCM2014
28-30th July, Cambridge, England


A multiscale study on the interfacial behavior of polymer nanocomposites with inelastic behavior


Hyunseong Shin, Seoul National University
Email: p2530@snu.ac.kr

Junghyun Ryu, Seoul National University
Email: rightdark@snu.ac.kr

Seunghwa Yang, Dong-A University
Email: lhlymssh@dau.ac.kr

Seongmin Chang, Seoul National University
Email: luxon@snu.ac.kr

Maenghyo Cho, Seoul National University
Email: mhcho@snu.ac.kr


In this study, a hierarchical multiscale modeling approach to characterize the elastoplastic behavior of polymer nanocomposites is proposed. Molecular dynamics simulation and a continuum nonlinear two-scale homogenization method are merged into the proposed multiscale modeling. The characterization of the condensed interphase zone between silica nanoparticle and polymer matrix are conducted. Nonlinear mechanical behavior of polymer nanocomposites was identified by molecular dynamics simulation. Uniaxial tensile simulations are employed through NPT ensemble simulation. Stress-strain relationship of Nylon6 is fitted by elastoplastic model in this study. The elastoplastic behavior of effective interphase is quantified by iterative inverse algorithm based on the nonlinear two-scale homogenization method.