Molecular dynamics simulation of mixed matrix nanocomposites containing polyimide and polyhedral oligomeric silsesquioxane (POSS)

Polymer ◽  
2009 ◽  
Vol 50 (5) ◽  
pp. 1324-1332 ◽  
Author(s):  
Yin Yani ◽  
Monica H. Lamm
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polyhedral Oligomeric Silsesquioxane ◽  
Dynamics Simulation ◽  
Mixed Matrix ◽  
Oligomeric Silsesquioxane ◽  
Matrix Nanocomposites

The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

2020 ◽  
Vol 22 (20) ◽  
pp. 11400-11408 ◽  
Author(s):  
Xiang-Meng Jia ◽  
Hu-Jun Qian ◽  
Zhong-Yuan Lu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Polymer Nanocomposite ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Structure And Dynamics ◽  
Dynamics Simulations ◽  
Oligomeric Silsesquioxane

We study the interfacial structure and dynamics of a polymer nanocomposite (PNC) composed of octaaminophenyl polyhedral oligomeric silsesquioxane (OAPS) and poly(2-vinylpyridine) (P2VP) by performing full atomistic molecular dynamics simulations.

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