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Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”

Journal Article · · Physical Review Letters
 [1];  [1];  [2];  [2];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS) and Computational Sciences and Engineering Div.

Based on nonequilibrium molecular dynamics simulations of entangled polymer melts, a recent Letter [1] claims that the rising extensional stress is quantitatively consistent with the decreasing entropy of chains at the equilibrium entanglement length. We point out that quite the opposite is true: the intrachain entropic stress arising from individual entanglement strands agrees with the total “macroscopic” stress under only very limited conditions.

Research Organization:
UT-Battelle LLC/ORNL, Oak Ridge, TN (Unted States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Organization:
USDOE Office of Science; USDOE
DOE Contract Number:
AC05-00OR22725
OSTI ID:
1567497
Journal Information:
Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 5 Vol. 122; ISSN 0031-9007; ISSN PRLTAO
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (9)

Nature of Stress on the Atomic Level in Dense Polymer Systems journal November 1994
Molecular simulation of flow-enhanced nucleation in n -eicosane melts under steady shear and uniaxial extension journal December 2016
Whither tube theory: From believing to measuring journal April 2009
Stress relaxation in polymer melts and concentrated solutions journal July 1991
Entangled polymer chain melts: Orientation and deformation dependent tube confinement and interchain entanglement elasticity journal December 2013
Significance of cross correlations in the stress relaxation of polymer melts journal June 2007
Periodic boundary conditions for long-time nonequilibrium molecular dynamics simulations of incompressible flows journal November 2014
Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts journal July 2018
Statistical Mechanics of Nonequilibrium Liquids book January 2008

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