Coarse-grained molecular dynamics simulation of the void growth process in the block structure of semicrystalline polymers

Yuji Higuchi, Momoji Kubo

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

We study fracture processes of amorphous and semicrystalline polymers with a coarse-grained molecular dynamics simulation. In the amorphous state, the stress caused by strain mainly arises from the loss of the attractive interaction in the voids. However, in semicrystalline polymers, the elongation of bonding is the dominant factor and it causes much more stress than that in an amorphous state. This is because growth of the voids is prevented by the amorphous regions and it is difficult to relax the folded polymers.

Original languageEnglish
Article number055006
JournalModelling and Simulation in Materials Science and Engineering
Volume24
Issue number5
DOIs
Publication statusPublished - 2016 May 10

Keywords

  • coarse-grained molecular dynamics simulation
  • deformation
  • fracture
  • semicrystalline polymers

ASJC Scopus subject areas

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

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