An efficient multiscale homogenization modeling approach to describe hyperelastic behavior of polymer nanocomposites

The mechanical characterization of the interphase zone has attracted considerable attention in the fields of mechanical engineering and material design. Especially, the constitutive modeling for the description of the nonlinear mechanical behaviors of the interphase zone within the finite strain is...

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Bibliographic Details
Published in:Composites science and technology 2019-05, Vol.175, p.128-134
Main Authors: Shin, Hyunseong, Choi, Joonmyung, Cho, Maenghyo
Format: Article
Language:English
Subjects:
Computer simulation
Continuum modeling
Crack propagation
Fatigue life
Finite element analysis
Fluid dynamics
Fracture toughness
Homogenization
Mechanical engineering
Mechanical properties
Molecular dynamics
Multiscale analysis
Multiscale modeling C
Nano composites A
Nanocomposites
Nanoparticles
Polymer-matrix composites (PMCs) A
Polymers
Proper Orthogonal Decomposition
Strain
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Summary:The mechanical characterization of the interphase zone has attracted considerable attention in the fields of mechanical engineering and material design. Especially, the constitutive modeling for the description of the nonlinear mechanical behaviors of the interphase zone within the finite strain is essential for the material design of the polymer nanocomposites (e.g., the thermo-mechanical design, the fracture toughness design, and the fatigue life design). In this study, we propose an efficient multiscale homogenization modeling approach to describe the hyperelastic behavior of the polymer nanocomposites. This is the first attempt to achieve the hyperelastic constitutive modeling of the interphase zone by the multiscale framework, which is based on the full-atomistic molecular dynamics simulations and the multiscale homogenization analysis. The role of interfacial interactions between the nanoparticle and the polymer matrix on the nonlinear mechanical behaviors of polymer nanocomposites is characterized within the finite strain range by the proposed multiscale framework. To overcome the numerical inefficiencies induced by the excessively large number of iterations, the proper orthogonal decomposition method is merged into the proposed multiscale framework. The equivalent continuum models of the polymer nanocomposites are verified by the full atomistic molecular dynamics simulations.
ISSN:0266-3538
1879-1050
DOI:10.1016/j.compscitech.2019.03.015