An optimized cross-linked network model to simulate the linear elastic material response of a smart polymer

Jinjun Zhang, Bonsung Koo, Nithya Subramanian, Yingtao Liu, Aditi Chattopadhyay

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

This article presents a novel approach to model the mechanical response of smart polymeric materials. A cyclobutane-based mechanophore, named "smart particle" in this article, is embedded in an epoxy polymer matrix to form the self-sensing smart material. A spring-bead model is developed based on the results from molecular dynamics simulation at the nanoscale to represent bond clusters of a smart polymer. The spring-bead network model is developed through parametric studies and mechanical equivalence optimization to represent the microstructure of the material. A statistical network model is introduced, which is capable of bridging the high-accuracy molecular dynamics model at the nanoscale and the computationally efficient finite element model at the macroscale. A comparison between experimental and simulation results shows that the multiscale model can capture global mechanical response and local material properties.

Original languageEnglish (US)
Pages (from-to)1461-1475
Number of pages15
JournalJournal of Intelligent Material Systems and Structures
Volume27
Issue number11
DOIs
StatePublished - Jul 1 2016

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Polymers
Intelligent materials
Molecular dynamics
Cyclobutanes
Polymer matrix
Dynamic models
Materials properties
Microstructure
Computer simulation

Keywords

  • molecular dynamics
  • Multiscale modeling
  • optimization
  • spring-bead-based network model

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanical Engineering

Cite this

An optimized cross-linked network model to simulate the linear elastic material response of a smart polymer. / Zhang, Jinjun; Koo, Bonsung; Subramanian, Nithya; Liu, Yingtao; Chattopadhyay, Aditi.

In: Journal of Intelligent Material Systems and Structures, Vol. 27, No. 11, 01.07.2016, p. 1461-1475.

Research output: Contribution to journalArticle

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