Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt

Nafar Sefiddashti, Mohammad H.; Edwards, Brian J.; Khomami, Bamin

doi:10.1063/1.5026792

Title: Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt

Journal Article · 14 April 2018 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/1.5026792 · OSTI ID:1433038

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Materials Research and Innovation Laboratory (MRAIL), Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA

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Sponsoring Organization:: USDOE

OSTI ID:: 1433038

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 148 Journal Issue: 14; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 24 works

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References (18)

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Simulating the critical behaviour of complex fluids Siepmann, J. IIja; Karaborni, Sami; Smit, Berend Nature, Vol. 365, Issue 6444 https://doi.org/10.1038/365330a0	journal	September 1993
A molecular dynamics method for simulations in the canonical ensemble Nosé, Shūichi Molecular Physics, Vol. 52, Issue 2 https://doi.org/10.1080/00268978400101201	journal	June 1984
Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems Kröger, Martin Computer Physics Communications, Vol. 168, Issue 3 https://doi.org/10.1016/j.cpc.2005.01.020	journal	June 2005
On coil–stretch transitions in dilute polymer solutions Wiest, J. M.; Wedgewood, L. E.; Bird, R. Byron The Journal of Chemical Physics, Vol. 90, Issue 1 https://doi.org/10.1063/1.456457	journal	January 1989
Reversible multiple time scale molecular dynamics Tuckerman, M.; Berne, B. J.; Martyna, G. J. The Journal of Chemical Physics, Vol. 97, Issue 3 https://doi.org/10.1063/1.463137	journal	August 1992
Coil‐stretch transition of dilute flexible polymers under ultrahigh velocity gradients De Gennes, P. G. The Journal of Chemical Physics, Vol. 60, Issue 12 https://doi.org/10.1063/1.1681018	journal	June 1974
Configuration-dependent friction coefficients and elastic dumbbell rheology Fan, Xi-Jun; Byron Bird, R.; Renardy, Michael Journal of Non-Newtonian Fluid Mechanics, Vol. 18, Issue 3 https://doi.org/10.1016/0377-0257(85)87002-6	journal	January 1985
Observation of Polymer Conformation Hysteresis in Extensional Flow Schroeder, C. M. Science, Vol. 301, Issue 5639 https://doi.org/10.1126/science.1086070	journal	September 2003
Single Polymer Dynamics in an Elongational Flow Perkins, T. T. Science, Vol. 276, Issue 5321 https://doi.org/10.1126/science.276.5321.2016	journal	June 1997
Response of Flexible Polymers to a Sudden Elongational Flow Smith, D. E. Science, Vol. 281, Issue 5381 https://doi.org/10.1126/science.281.5381.1335	journal	August 1998
Coil-stretch transitions in mixed shear and extensional flows of dilute polymer solutions Larson, R. G.; Magda, J. J. Macromolecules, Vol. 22, Issue 7 https://doi.org/10.1021/ma00197a022	journal	July 1989
A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow Baig, C.; Edwards, B. J.; Keffer, D. J. The Journal of Chemical Physics, Vol. 122, Issue 11 https://doi.org/10.1063/1.1819869	journal	March 2005
A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations Edwards, Brian J.; Dressler, Marco Journal of Non-Newtonian Fluid Mechanics, Vol. 96, Issue 1-2 https://doi.org/10.1016/s0377-0257(00)00132-4	journal	January 2001
Evaluation of reptation-based modeling of entangled polymeric fluids including chain rotation via nonequilibrium molecular dynamics simulation Nafar Sefiddashti, Mohammad Hadi; Edwards, Brian J.; Khomami, Bamin Physical Review Fluids, Vol. 2, Issue 8 https://doi.org/10.1103/physrevfluids.2.083301	journal	August 2017
Stresses in Dilute Solutions of Bead‐Nonlinear‐Spring Macromolecules. III. Friction Coefficient Varying with Dumbbell Extension Tanner, R. I. Transactions of the Society of Rheology, Vol. 19, Issue 4 https://doi.org/10.1122/1.549385	journal	December 1975
Individual chain dynamics of a polyethylene melt undergoing steady shear flow Nafar Sefiddashti, M. H.; Edwards, B. J.; Khomami, B. Journal of Rheology, Vol. 59, Issue 1 https://doi.org/10.1122/1.4903498	journal	January 2015
Steady shearing flow of a moderately entangled polyethylene liquid Nafar Sefiddashti, M. H.; Edwards, B. J.; Khomami, B. Journal of Rheology, Vol. 60, Issue 6 https://doi.org/10.1122/1.4963800	journal	November 2016

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