Glassy behavior of a homopolymer from molecular dynamics simulations

Nikolay V. Dokholyan, Estelle Pitard, Sergey V. Buldyrev, H. Eugene Stanley

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics. The main quantities of interest are the average root mean square displacement of the monomers below the θ point, and the structure factor, as a function of time. The observation of these quantities show a close resemblance to those measured in structural glasses and suggest that the polymer chain in its low temperature phase is in a glassy phase, with its dynamics dominated by traps. In equilibrium, at low temperature, we observe the trapping of the monomers and a slowing down of the overall motion of the polymer as well as nonexponential relaxation of the structure factor. Out of equilibrium, at low temperatures, we compute the two-time quantities and observe breaking of ergodicity in a range of waiting times, with the onset of aging.

Original languageEnglish (US)
Article number030801
Pages (from-to)030801/1-030801/4
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume65
Issue number3
DOIs
StatePublished - Mar 1 2002

All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Glassy behavior of a homopolymer from molecular dynamics simulations'. Together they form a unique fingerprint.

  • Cite this