Molecular sources of ratcheting in poly-dispersed polycarbonate

Zesheng Zhang, Lili Zhang, John Jasa, Mehrdad Negahban, George Gazonas

Research output: Contribution to journalArticlepeer-review


Molecular dynamics (MD) of polycarbonate is used to understand the molecular bases of ratcheting and sensitivity to variation in polymer chain lengths. We find that ratcheting is almost insensitive to molecular weight in mono-disperse systems, but not in poly-disperse systems. MD-to-continuum measures show that molecular motions of short chains in poly-dispersed systems are distinct from longer-sized chains, and, via easily detangling, moving, and relaxing, become compact even when the bulk expands. This indicates that short chains in poly-disperse systems play a central role in creating non-affine volume that accelerates ratcheting, while having no influence in short-chained mono-disperse systems.

Original languageEnglish (US)
Article number106567
JournalInternational Journal of Fatigue
StatePublished - Jan 2022


  • Molecular deformation
  • Molecular dynamics
  • Multiscale modeling
  • Polycarbonate
  • Ratcheting

ASJC Scopus subject areas

  • Modeling and Simulation
  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Industrial and Manufacturing Engineering


Dive into the research topics of 'Molecular sources of ratcheting in poly-dispersed polycarbonate'. Together they form a unique fingerprint.

Cite this