Multiscale modeling to characterize the thermomechanical properties of polymer nanocomposites for varying crosslink ratio

  • B. Kim
  • , J. Choi
  • , S. Yu
  • , S. Yang
  • , M. Cho

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

In this study, the effect of varying crosslink ratios on the thermal and mechanical properties of thermoset epoxy-based nanocomposites are determined with the aid of molecular dynamics (MD) simulations and scale bridging method. For establishing molecular models, the spherical silica nanofillers having different radii are embedded into the EPON 862-TETA epoxy matrix. Elastic modulus and thermal expansion coefficient are calculated from the equilibrated molecular structures. The thermo-mechanical responses are characterized in terms of crosslink ratio and filler size. The interphase properties are further investigated using a micromechanics-based continuum model.

Original languageEnglish
Title of host publication16th European Conference on Composite Materials, ECCM 2014
PublisherEuropean Conference on Composite Materials, ECCM
ISBN (Electronic)9780000000002
StatePublished - 2014
Externally publishedYes
Event16th European Conference on Composite Materials, ECCM 2014 - Seville, Spain
Duration: 22 Jun 201426 Jun 2014

Publication series

Name16th European Conference on Composite Materials, ECCM 2014

Conference

Conference16th European Conference on Composite Materials, ECCM 2014
Country/TerritorySpain
CitySeville
Period22/06/1426/06/14

Keywords

  • Crosslink
  • Molecular dynamics
  • Multiscale modeling
  • Nanocomposite

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