Molecular dynamics simulation of polymer liquid and glass. I. Glass transition

David Rigby; Ryong‐Joon Roe

doi:10.1063/1.453321

Molecular dynamics simulation of polymer liquid and glass. I. Glass transition

The Journal of Chemical Physics ◽

10.1063/1.453321 ◽

1987 ◽

Vol 87 (12) ◽

pp. 7285-7292 ◽

Cited By ~ 212

Author(s):

David Rigby ◽

Ryong‐Joon Roe

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Polymer Liquid

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Comparison between the glass transition temperatures of the two PMMA tacticities: A molecular dynamics simulation point of view

Macromolecular Symposia ◽

10.1002/masy.19981330105 ◽

1998 ◽

Vol 133 (1) ◽

pp. 21-32 ◽

Cited By ~ 52

Author(s):

Armand Soldera

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Point Of View ◽

Dynamics Simulation ◽

Transition Temperatures ◽

Glass Transition Temperatures ◽

Simulation Point

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Molecular dynamics simulation of local chain motion in bulk amorphous polymers. I. Dynamics above the glass transition

The Journal of Chemical Physics ◽

10.1063/1.460723 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7446-7457 ◽

Cited By ~ 94

Author(s):

Hisao Takeuchi ◽

Ryong‐Joon Roe

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Amorphous Polymers ◽

Dynamics Simulation

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Structure and dynamics behavior during the glass transition of the polyisoprene in the presence of pressure: A molecular dynamics simulation

Polymer ◽

10.1016/j.polymer.2021.124433 ◽

2022 ◽

Vol 238 ◽

pp. 124433

Author(s):

Wei Sun ◽

Haoyu Wu ◽

Yanlong Luo ◽

Bin Li ◽

Lixin Mao ◽

...

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Structure And Dynamics

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Multi-scale studies of glass transition and uniaxial tensile properties of a commercially available epoxy adhesive using experimental measurements and molecular dynamics simulation

Chinese Journal of Polymer Science ◽

10.1007/s10118-015-1599-x ◽

2015 ◽

Vol 33 (3) ◽

pp. 465-474 ◽

Cited By ~ 4

Author(s):

Li Yao

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Tensile Properties ◽

Epoxy Adhesive ◽

Dynamics Simulation ◽

Uniaxial Tensile ◽

Experimental Measurements ◽

Multi Scale

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Molecular dynamics simulation of polymer liquid and glass. 4. Free-volume distribution

Macromolecules ◽

10.1021/ma00228a002 ◽

1990 ◽

Vol 23 (26) ◽

pp. 5312-5319 ◽

Cited By ~ 101

Author(s):

D. Rigby ◽

R. J. Roe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Free Volume ◽

Dynamics Simulation ◽

Volume Distribution ◽

Polymer Liquid

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Glass transition in single poly(ethylene oxide) chain: A molecular dynamics simulation study

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.24255 ◽

2016 ◽

Vol 55 (2) ◽

pp. 178-188 ◽

Cited By ~ 12

Author(s):

Chaofu Wu

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Ethylene Oxide ◽

Simulation Study ◽

Dynamics Simulation ◽

Poly Ethylene Oxide ◽

Ethylene Oxide Chain ◽

Poly Ethylene

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Monte Carlo and molecular dynamics simulation of the glass transition of polymers

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/11/10a/003 ◽

1999 ◽

Vol 11 (10A) ◽

pp. A47-A55 ◽

Cited By ~ 26

Author(s):

Kurt Binder ◽

Jörg Baschnagel ◽

Christoph Bennemann ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Predict the glass transition temperature and plasticization of β-cyclodextrin/water binary system by molecular dynamics simulation

Carbohydrate Research ◽

10.1016/j.carres.2014.10.026 ◽

2015 ◽

Vol 401 ◽

pp. 89-95 ◽

Cited By ~ 12

Author(s):

Guohui Zhou ◽

Tianhai Zhao ◽

Jie Wan ◽

Chengmei Liu ◽

Wei Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Binary System ◽

Dynamics Simulation

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Molecular dynamics simulation of the glass transition in 4,4′-N,N′-dicarbazolylbiphenyl

Chemical Physics Letters ◽

10.1016/j.cplett.2015.05.013 ◽

2015 ◽

Vol 633 ◽

pp. 41-46 ◽

Cited By ~ 3

Author(s):

Alexey Odinokov ◽

Alexandra Freidzon ◽

Alexander Bagaturyants

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b10789 ◽

2016 ◽

Vol 120 (7) ◽

pp. 1367-1379 ◽

Cited By ~ 25

Author(s):

Pragati Sharma ◽

Sudip Roy ◽

Hossein Ali Karimi-Varzaneh

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Force Fields ◽

Atomic Scale ◽

Dynamics Simulation ◽

Temperature Calculation

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