Simulations of tensile failure in glassy polymers: Effect of cross-link density

M. Panico*, S. Narayanan, L. C. Brinson

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations


Molecular dynamics simulations are adopted to investigate the failure mechanisms of glassy polymers, particularly with respect to increasing density of cross-links. In our simulations thermosetting polymers, which are cross-linked, exhibit an embrittlement compared with uncross-linked thermoplastics in a similar fashion to several experimental investigations (Levita, et al. 1991 J. Mater. Sci. 26 2348; Sambasivam, et al. 1997 J. Appl. Polym. Sci. 65 1001; Iijima, et al. 1992 Eur. Polym. J. 28 573). We perform a detailed analysis of this phenomenon and propose an interpretation based on the predominance of chain scission process over disentanglement in thermosetting polymers. We also elucidate the brittle fracture response of the thermosetting polymers.

Original languageEnglish (US)
Article number055005
JournalModelling and Simulation in Materials Science and Engineering
Issue number5
StatePublished - Jul 6 2010

ASJC Scopus subject areas

  • Modeling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications


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