Coarse-grained lattice modeling and monte carlo simulations of stress relaxation in strain-induced crystallization of rubbers

Vladislav Egorov, Hiroshi Koibuchi, Chrystelle Bernard, Jean Marc Chenal, Gildas Diguet, Gael Sebald, Jean Yves Cavaille, Toshiyuki Takagi, Laurent Chazeau

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Two-dimensional triangulated surface models for membranes and their three-dimensional (3D) extensions are proposed and studied to understand the strain-induced crystallization (SIC) of rubbers. It is well known that SIC is an origin of stress relaxation, which appears as a plateau in the intermediate strain region of stress-strain curves. However, this SIC is very hard to implement in models because SIC is directly connected to a solid state, which is mechanically very different from the amorphous state. In this paper, we show that the crystalline state can be quite simply implemented in the Gaussian elastic bond model, which is a straightforward extension of the Gaussian chain model for polymers, by replacing bonds with rigid bodies or eliminating bonds. We find that the results of Monte Carlo simulations for stress-strain curves are in good agreement with the reported experimental data of large strains of up to 1200%. This approach allows us to intuitively understand the stress relaxation caused by SIC.

Original languageEnglish
Article number1267
JournalPolymers
Volume12
Issue number6
DOIs
Publication statusPublished - 2020 Jun 1

Keywords

  • Monte Carlo
  • Rubber elasticity
  • Statistical mechanics
  • Strain-induced crystallization
  • Stress relaxation
  • Stress-strain curves

ASJC Scopus subject areas

  • Chemistry(all)
  • Polymers and Plastics

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