Multiscale Modelling of Layered-Silicate/PET Nanocomposites during Solid-State Processing
This work aims to develop a continuum, multi-scale, physically-based model of the forming process for layered-silicate nanocomposites based on poly(ethylene terephthalate) (PET) matrices, as might be used for packaging. This challenge is tackled using: (1) a physically-based model of PET implemented into the FEM-based code ABAQUS, (2) RVEs with prescribed morphologies reflecting TEM images, and (3) nonlinear computational homogenisation. As a result, 2-D two-scale FEM-based simulations under biaxial deformations (constant width) enabled the extraction of macroscopic stress-strain curves at different silicate contents and processing temperatures. In particular, interesting features in terms of morphology changes and its impact on the macroscopic stress response were captured: (a) morphology change by particle re-orientation and pronounced bending, (b) macroscopic strain hardening due to platelet re-orientation and local strain stiffening, (c) facilitated platelet alignment, and platelet delamination in tactoids through sheardominated deformations and increasing temperature.
KeywordsMultiscale Modelling Particle Volume Fraction Ethylene Terephthalate Macroscopic Strain Particle Aspect Ratio
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