English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis

Mattioni, L., Wittmer, J. P., Baschnagel, J., Barrat, J. L., & Luijten, E. (2003). Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis. The European Physical Journal E, 10(4), 369-385.

Item is

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Mattioni, L., Author
Wittmer, J. P., Author
Baschnagel, J., Author
Barrat, J. L., Author
Luijten, E.1, Author           
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

Content

show
hide
Free keywords: -
 Abstract: Correlations in the motion of reptating polymers in a melt are investigated by means of Monte Carlo simulations of the three-dimensional slithering-snake version of the bond-fluctuation model. Surprisingly, the slithering-snake dynamics becomes inconsistent with classical reptation predictions at high chain overlap (created either by chain length N or by the volume fraction φ of occupied lattice sites), where the relaxation times increase much faster than expected. This is due to the anomalous curvilinear diffusion in a finite time window whose upper bound τ+(N) is set by the density of chain ends φ/N. Density fluctuations created by passing chain ends allow a reference polymer to break out of the local cage of immobile obstacles created by neighboring chains. The dynamics of dense solutions of “snakes” at t«τ+ is identical to that of a benchmark system where all chains but one are frozen. We demonstrate that the subdiffusive dynamical regime is caused by the slow creeping of a chain out of its correlation hole. Our results are in good qualitative agreement with the activated-reptation scheme proposed recently by Semenov and Rubinstein (Eur. Phys. J. B, 1 (1998) 87). Additionally, we briefly comment on the relevance of local relaxation pathways within a slithering-snake scheme. Our preliminary results suggest that a judicious choice of the ratio of local to slithering-snake moves is crucial to equilibrate a melt of long chains efficiently.

Details

show
hide
Language(s): eng - English
 Dates: 2003
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: eDoc: 42970
Other: P-03-52
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: The European Physical Journal E
  Alternative Title : Eur. Phys. J. E
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 10 (4) Sequence Number: - Start / End Page: 369 - 385 Identifier: -