Molecular dynamics simulation of the non-linear optical susceptibility at the phenol/water/air interface

1996 ◽  
Vol 104 ◽  
pp. 193 ◽  
Author(s):  
V. P. Sokhan ◽  
D. J. Tildesley
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Optical Susceptibility ◽  
Air Interface ◽  
Non Linear ◽  
Linear Optical ◽  
Phenol Water

Elucidating and tuning the strain-induced non-linear behavior of polymer nanocomposites: a detailed molecular dynamics simulation study

Soft Matter ◽  
2014 ◽  
Vol 10 (28) ◽  
pp. 5099-5113 ◽  
Author(s):  
Jianxiang Shen ◽  
Jun Liu ◽  
Yangyang Gao ◽  
Xiaolin Li ◽  
Liqun Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Simulation Study ◽  
Structural Evolution ◽  
Dynamics Simulation ◽  
Payne Effect ◽  
Linear Behavior ◽  
Non Linear ◽  
First Time

This simulation work for the first time establishes the correlation between the micro-structural evolution and the strain-induced non-linear behavior of polymer nanocomposites, and sheds some light on how to reduce the “Payne effect”.

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