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

doi:10.1103/PhysRevLett.122.059803

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

Abstract

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.

Authors:

Xu, Wen-Sheng ^[1]; Lam, Christopher N. ^[1]; Carrillo, Jan-Michael Y. ^[2]; Sumpter, Bobby G. ^[2]; Wang, Yangyang ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS) and Computational Sciences and Engineering Div.

Publication Date:: 2019-02-01

Research Org.:: UT-Battelle LLC/ORNL, Oak Ridge, TN (Unted States); Oak Ridge National Laboratory, Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1567497

DOE Contract Number:: AC05-00OR22725

Resource Type:: Journal Article

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 122; Journal Issue: 5; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: Physics

Citation Formats


                    Xu, Wen-Sheng, Lam, Christopher N., Carrillo, Jan-Michael Y., Sumpter, Bobby G., and Wang, Yangyang. Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”.  United States: N. p., 2019. 
        Web.  doi:10.1103/PhysRevLett.122.059803.

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                    Xu, Wen-Sheng, Lam, Christopher N., Carrillo, Jan-Michael Y., Sumpter, Bobby G., & Wang, Yangyang. Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”.  United States.  doi:10.1103/PhysRevLett.122.059803.

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                    Xu, Wen-Sheng, Lam, Christopher N., Carrillo, Jan-Michael Y., Sumpter, Bobby G., and Wang, Yangyang. Fri .  
        "Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”".  United States.  doi:10.1103/PhysRevLett.122.059803.

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@article{osti_1567497,

  title        = {Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”},

  author       = {Xu, Wen-Sheng and Lam, Christopher N. and Carrillo, Jan-Michael Y. and Sumpter, Bobby G. and Wang, Yangyang},

  abstractNote = {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.},

  doi          = {10.1103/PhysRevLett.122.059803},

  journal      = {Physical Review Letters},

  issn         = {0031-9007},

  number       = 5,

  volume       = 122,

  place        = {United States},

  year         = {2019},

  month        = {2}

}

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Journal Article:

DOI: 10.1103/PhysRevLett.122.059803

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Works referenced in this record:

Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts
journal, July 2018

O’Connor, Thomas C.; Alvarez, Nicolas J.; Robbins, Mark O.
Physical Review Letters, Vol. 121, Issue 4
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Nicholson, David A.; Rutledge, Gregory C.
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Periodic boundary conditions for long-time nonequilibrium molecular dynamics simulations of incompressible flows
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Dobson, Matthew
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Stress relaxation in polymer melts and concentrated solutions
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Fixman, M.
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Nature of Stress on the Atomic Level in Dense Polymer Systems
journal, November 1994

Gao, J.; Weiner, J. H.
Science, Vol. 266, Issue 5186
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Significance of cross correlations in the stress relaxation of polymer melts
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Ramírez, Jorge; Sukumaran, Sathish K.; Likhtman, Alexei E.
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journal, April 2009

Likhtman, Alexei E.
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Entangled polymer chain melts: Orientation and deformation dependent tube confinement and interchain entanglement elasticity
journal, December 2013

Sussman, Daniel M.; Schweizer, Kenneth S.
The Journal of Chemical Physics, Vol. 139, Issue 23
DOI: 10.1063/1.4847895

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Similar Records

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

Abstract

Citation Formats

Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts journal, July 2018

Molecular simulation of flow-enhanced nucleation in n -eicosane melts under steady shear and uniaxial extension journal, December 2016

Periodic boundary conditions for long-time nonequilibrium molecular dynamics simulations of incompressible flows journal, November 2014

Stress relaxation in polymer melts and concentrated solutions journal, July 1991

Nature of Stress on the Atomic Level in Dense Polymer Systems journal, November 1994

Significance of cross correlations in the stress relaxation of polymer melts journal, June 2007

Whither tube theory: From believing to measuring journal, April 2009

Entangled polymer chain melts: Orientation and deformation dependent tube confinement and interchain entanglement elasticity journal, December 2013

Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts
journal, July 2018

Molecular simulation of flow-enhanced nucleation in n -eicosane melts under steady shear and uniaxial extension
journal, December 2016

Periodic boundary conditions for long-time nonequilibrium molecular dynamics simulations of incompressible flows
journal, November 2014

Stress relaxation in polymer melts and concentrated solutions
journal, July 1991

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journal, November 1994

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journal, June 2007

Whither tube theory: From believing to measuring
journal, April 2009

Entangled polymer chain melts: Orientation and deformation dependent tube confinement and interchain entanglement elasticity
journal, December 2013