Polymer Melts under Uniaxial Elongational Flow:  Stress−Optical Behavior from Experiments and Nonequilibrium Molecular Dynamics Computer Simulations

M. Kröger; C. Luap; R. Muller

doi:10.1021/ma960317c

Polymer Melts under Uniaxial Elongational Flow: Stress−Optical Behavior from Experiments and Nonequilibrium Molecular Dynamics Computer Simulations

Macromolecules ◽

10.1021/ma960317c ◽

1997 ◽

Vol 30 (3) ◽

pp. 526-539 ◽

Cited By ~ 97

Author(s):

M. Kröger ◽

C. Luap ◽

R. Muller

Keyword(s):

Molecular Dynamics ◽

Flow Stress ◽

Computer Simulations ◽

Polymer Melts ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Optical Behavior

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Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow

Journal of Rheology ◽

10.1122/1.4860355 ◽

2014 ◽

Vol 58 (2) ◽

pp. 281-305 ◽

Cited By ~ 12

Author(s):

Elnaz Hajizadeh ◽

B. D. Todd ◽

P. J. Daivis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hyperbranched Polymer ◽

Polymer Melts ◽

Elongational Flow ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Planar Elongational Flow ◽

Nonequilibrium Molecular Dynamics Simulation

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Parallelisation of Nonequilibrium Molecular Dynamics Code for Polymer Melts Using OpenMP

Lecture Notes in Computer Science - Computational Science — ICCS 2003 ◽

10.1007/3-540-44863-2_28 ◽

2003 ◽

pp. 275-285

Author(s):

Zhongwu Zhou ◽

B. D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Polymer Melts ◽

Nonequilibrium Molecular Dynamics

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A new algorithm for unrestricted duration nonequilibrium molecular dynamics simulations of planar elongational flow

Computer Physics Communications ◽

10.1016/s0010-4655(98)00178-7 ◽

1999 ◽

Vol 117 (3) ◽

pp. 191-199 ◽

Cited By ~ 49

Author(s):

B.D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Coarse-Grained Molecular Dynamics Simulation of Elongational Flow of Polymer Melts

ECS Meeting Abstracts ◽

10.1149/ma2018-03/3/164 ◽

2018 ◽

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Melts ◽

Elongational Flow ◽

Dynamics Simulation ◽

Coarse Grained ◽

Coarse Grained Molecular Dynamics

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Application of transient-time correlation functions to nonequilibrium molecular-dynamics simulations of elongational flow

Physical Review E ◽

10.1103/physreve.56.6723 ◽

1997 ◽

Vol 56 (6) ◽

pp. 6723-6728 ◽

Cited By ~ 25

Author(s):

B. D. Todd

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Correlation Functions ◽

Elongational Flow ◽

Time Correlation ◽

Nonequilibrium Molecular Dynamics ◽

Time Correlation Functions ◽

Transient Time ◽

Dynamics Simulations

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Wormlike micelles under shear flow: A microscopic model studied by nonequilibrium-molecular-dynamics computer simulations

Physical Review E ◽

10.1103/physreve.53.2531 ◽

1996 ◽

Vol 53 (3) ◽

pp. 2531-2536 ◽

Cited By ~ 63

Author(s):

M. Kröger ◽

R. Makhloufi

Keyword(s):

Molecular Dynamics ◽

Shear Flow ◽

Computer Simulations ◽

Microscopic Model ◽

Nonequilibrium Molecular Dynamics ◽

Wormlike Micelles

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On the calculation of transport properties of polymer melts from nonequilibrium molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.473830 ◽

1997 ◽

Vol 106 (19) ◽

pp. 8285-8286 ◽

Cited By ~ 16

Author(s):

Zhengfang Xu ◽

Rajesh Khare ◽

Juan J. de Pablo ◽

Sangtae Kim

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Polymer Melts ◽

Nonequilibrium Molecular Dynamics

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Elongational viscosities from nonequilibrium molecular dynamics simulations of oscillatory elongational flow

The Journal of Chemical Physics ◽

10.1063/1.474512 ◽

1997 ◽

Vol 107 (5) ◽

pp. 1617-1624 ◽

Cited By ~ 22

Author(s):

B. D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations

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A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow

The Journal of Chemical Physics ◽

10.1063/1.1819869 ◽

2005 ◽

Vol 122 (11) ◽

pp. 114103 ◽

Cited By ~ 51

Author(s):

C. Baig ◽

B. J. Edwards ◽

D. J. Keffer ◽

H. D. Cochran

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.2174006 ◽

2006 ◽

Vol 124 (8) ◽

pp. 084902 ◽

Cited By ~ 43

Author(s):

C. Baig ◽

B. J. Edwards ◽

D. J. Keffer ◽

H. D. Cochran ◽

V. A. Harmandaris

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Structural Studies ◽

Linear Polyethylene ◽

Polyethylene Melts ◽

Dynamics Simulations ◽

Planar Elongational Flow

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