Atomistic picture of isothermal volume relaxation behavior of atactic polystyrene glass provided by a molecular dynamics simulation

2012 ◽  
Vol 137 (4) ◽  
pp. 044907 ◽  
Author(s):  
Xiaoyu Chen ◽  
Yuanfeng Ye ◽  
Lingyun Hao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Relaxation Behavior ◽  
Dynamics Simulation ◽  
Volume Relaxation ◽  
Atactic Polystyrene

Conformational and Dynamic Properties of Polymer Loops and Their Mixtures at an Impenetrable Interface

1996 ◽  
Vol 463 ◽  
Author(s):  
H. S. Gulati ◽  
D. C. Driscoll ◽  
R. L. Jones ◽  
R. J. Spontak ◽  
C. K. Hall
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamic Properties ◽  
Relaxation Behavior ◽  
Dynamics Simulation ◽  
Dynamic Relaxation ◽  
Conformational Properties ◽  
Fluctuation Method ◽  
Bond Fluctuation ◽  
The Individual

ABSTRACTIn this study we investigate the equilibrium conformational properties and dynamic relaxation behavior of polymer loops grafted at an interface using the discontinuous molecular dynamics simulation technique. Differences and similarities between the structural and dynamic properties of polymer loops and tails are identified. The conformational properties of mixtures of polymers loops and tails are also studied using the bond-fluctuation method. The effect of mixture composition on the conformational properties of the individual components in the mixture is discussed.

Molecular Dynamics Simulation of Atactic Polystyrene. 1. Comparison with X-ray Scattering Data

1994 ◽  
Vol 27 (13) ◽  
pp. 3566-3574 ◽  
Author(s):  
M. Mondello ◽  
Hyung-Jin Yang ◽  
Hidemine Furuya ◽  
Ryong-Joon Roe
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Atactic Polystyrene ◽  
Ray Scattering

Molecular Dynamics Simulation of Atactic Polystyrene. 3. Short Range Order

1995 ◽  
Vol 28 (8) ◽  
pp. 2807-2818 ◽  
Author(s):  
Ryong-Joon Roe ◽  
M. Mondello ◽  
Hidemine Furuya ◽  
Hyung-Jin Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulation ◽  
Atactic Polystyrene

Molecular Dynamics Simulation of Uniaxial Deformation of Glassy Amorphous Atactic Polystyrene

2004 ◽  
Vol 37 (23) ◽  
pp. 8785-8793 ◽  
Author(s):  
Alexey V. Lyulin ◽  
Nikolaj K. Balabaev ◽  
Mikhail A. Mazo ◽  
M. A. J. Michels
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Uniaxial Deformation ◽  
Atactic Polystyrene

Molecular dynamics simulation of atactic polystyrene. 2. Comparison with neutron scattering data

1994 ◽  
Vol 27 (20) ◽  
pp. 5674-5680 ◽  
Author(s):  
Hidemine Furuya ◽  
M. Mondello ◽  
Hyung-Jin Yang ◽  
Ryong-Joon Roe ◽  
R. W. Erwin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Scattering Data ◽  
Atactic Polystyrene

Structure of Atactic Polystyrene:  A Molecular Dynamics Simulation Study

2000 ◽  
Vol 33 (16) ◽  
pp. 6194-6199 ◽  
Author(s):  
Chakravarthy Ayyagari ◽  
Dmitry Bedrov ◽  
Grant D. Smith
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Atactic Polystyrene
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