Molecular dynamics study of crystallization of polymer systems confined in small nanodomains

2007 ◽  
Vol 75 (3) ◽  
Author(s):  
Toshiaki Miura ◽  
Masuhiro Mikami
Keyword(s):  
Molecular Dynamics ◽  
Polymer Systems

Molecular dynamics simulation on the mechanical properties of natural-rubber-graft-rigid-polymer/rigid-polymer systems

2018 ◽  
Vol 20 (12) ◽  
pp. 8228-8240 ◽  
Author(s):  
Meng Wei ◽  
Pengxiang Xu ◽  
Yizhong Yuan ◽  
Xiaohui Tian ◽  
Jinyu Sun ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Natural Rubber ◽  
Dynamics Simulation ◽  
Polymer Systems ◽  
Rigid Polymer

Explanation of the experimental phenomenon of modified natural-rubber using a MD method.

Computer Studies on free and Confined Amorphous Polymer Films

1996 ◽  
Vol 464 ◽  
Author(s):  
G. Pätzold ◽  
D.W. Heermann ◽  
A. Linke ◽  
T. Hapke
Keyword(s):  
Molecular Dynamics ◽  
Preparation Method ◽  
Amorphous Polymer ◽  
Surface Preparation ◽  
Van Der Waals Interactions ◽  
Pressure Oscillations ◽  
Free Surfaces ◽  
Polymer Systems ◽  
Pressure Profiles ◽  
Computer Studies

ABSTRACTWe study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. Free surfaces are stabilized solely by van-der-Waals interactions, whereas confined surfaces emerge in the presence of repelling plates. The buildup of density and pressure profiles from zero to their bulk values depends on the surface preparation method. In the case of confined surfaces, we find density and pressure oscillations next to the repelling plates. For free surfaces, we attest chain-end enrichment and present a comparison between density profile and particle coordination number.

scholarly journals Molecular Dynamics and Physical Stability of Amorphous Nimesulide Drug and Its Binary Drug–Polymer Systems

2016 ◽  
Vol 13 (6) ◽  
pp. 1937-1946 ◽  
Author(s):  
J. Knapik ◽  
Z. Wojnarowska ◽  
K. Grzybowska ◽  
L. Tajber ◽  
H. Mesallati ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Physical Stability ◽  
Polymer Systems
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