Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations

2014 ◽  
Vol 141 (19) ◽  
pp. 194905 ◽  
Author(s):  
Elnaz Hajizadeh ◽  
B. D. Todd ◽  
P. J. Daivis
Keyword(s):  
Molecular Dynamics ◽  
Polymer Blends ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Linear Polymer ◽  
Shear Rheology ◽  
Dynamics Simulations

scholarly journals Molecular insights on poly(N-isopropylacrylamide) coil-to-globule transition induced by pressure

2021 ◽  
Vol 23 (10) ◽  
pp. 5984-5991
Author(s):  
Letizia Tavagnacco ◽  
Ester Chiessi ◽  
Emanuela Zaccarelli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chain ◽  
Linear Polymer ◽  
Dynamics Simulations ◽  
Linear Polymer Chain

By using extensive all-atom molecular dynamics simulations of an atactic linear polymer chain, we unveil the role of pressure in the coil-to-globule transition of poly(N-isopropylacrylamide) (PNIPAM).

Adaptive structure of gels and microgels with sliding cross-links: enhanced softness, stretchability and permeability

Soft Matter ◽  
2018 ◽  
Vol 14 (24) ◽  
pp. 5098-5105 ◽  
Author(s):  
Alexey A. Gavrilov ◽  
Igor I. Potemkin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Mechanical And Structural Properties ◽  
Adaptive Structure ◽  
Cross Links ◽  
Dynamics Simulations

We propose an experimentally-inspired model of gels and microgels with sliding cross-links, and use this model to study the mechanical and structural properties with molecular dynamics simulations.

scholarly journals A study of the structural properties and thermal stability of human Bcl-2 by molecular dynamics simulations

2013 ◽  
Vol 32 (11) ◽  
pp. 1707-1719 ◽  
Author(s):  
Ian Ilizaliturri-Flores ◽  
José Correa-Basurto ◽  
Claudia G. Benítez-Cardoza ◽  
Absalom Zamorano-Carrillo
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Dynamics Simulations ◽  
Thermal Stability Of
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