Effect of polymer–nanoparticle interaction on strain localization in polymer nanopillars

Soft Matter ◽  
2020 ◽  
Vol 16 (37) ◽  
pp. 8639-8646
Author(s):  
Entao Yang ◽  
Robert J. S. Ivancic ◽  
Emily Y. Lin ◽  
Robert A. Riggleman
Keyword(s):  
Molecular Dynamics ◽  
Shear Band ◽  
Molecular Dynamics Simulations ◽  
Strain Localization ◽  
Polymer Nanoparticle ◽  
Dynamics Simulations

We used molecular dynamics simulations to investigate the effect of NPs on the tendency of polymer nanopillar to form a shear band and found the polymer–NP interactions have a surprisingly strong effect on the location of a shear band in the sample.

scholarly journals Nanoformulation-by-design: an experimental and molecular dynamics study for polymer coated drug nanoparticles

RSC Advances ◽  
2020 ◽  
Vol 10 (33) ◽  
pp. 19521-19533 ◽  
Author(s):  
Ioanna Danai Styliari ◽  
Vincenzo Taresco ◽  
Andrew Theophilus ◽  
Cameron Alexander ◽  
Martin Garnett ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Experimental Studies ◽  
High Drug ◽  
Nanoparticle Formation ◽  
Polymer Nanoparticle ◽  
Drug Nanoparticles ◽  
Dynamics Simulations

Experimental studies of drug–polymer nanoparticle formation combined with molecular dynamics simulations provide atomistic explanations for the high drug loadings obtained.

A theoretical study of dispersion-to-aggregation of nanoparticles in adsorbing polymers using molecular dynamics simulations

Nanoscale ◽  
2016 ◽  
Vol 8 (13) ◽  
pp. 6964-6968 ◽  
Author(s):  
Xue-Zheng Cao ◽  
Holger Merlitz ◽  
Chen-Xu Wu ◽  
Goran Ungar ◽  
Jens-Uwe Sommer
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Theoretical Study ◽  
Polymer Nanoparticle ◽  
Dynamics Simulations

The properties of polymer–nanoparticle (NP) mixtures significantly depend on the dispersion of the NPs.

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