Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/35923
Title: MULTISCALE MODELING OF POLYMER-CLAY NANOCOMPOSITES
Authors: CHEN YU
Keywords: polymer-clay nanocomposites, multiscale modeling, molecular dynamics, finite element method, stiffness, damage and failure
Issue Date: 21-Aug-2012
Source: CHEN YU (2012-08-21). MULTISCALE MODELING OF POLYMER-CLAY NANOCOMPOSITES. ScholarBank@NUS Repository.
Abstract: In this thesis, a multiscale framework combining computational chemistry and computational mechanics is developed for studying the mechanical properties of polymer-clay nanocomposites. This computational framework starts from molecular dynamics (MD) simulations of basic constituents, including pure epoxy matrices, silicate sheets and associated interfaces. The predicted material properties at the molecular level are then imported into a representative volume element (RVE) model for finite element analyses. The RVE model is used to predict the stiffness reinforcement of polymer-clay nanocomposites based on a homogenization scheme and the FEM results are compared with the Wang-Pryz (W-P) analytical predictions. The RVE model is further improved by integrating progressive damage techniques to study the damage initiation and failure process in polymer-clay nanocomposites.
URI: http://scholarbank.nus.edu.sg/handle/10635/35923
Appears in Collections:Ph.D Theses (Open)

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