Mechanical Properties of Surfactant Bilayer Membranes from Atomistic and Coarse-Grained Molecular Dynamics Simulations

2005 ◽  
Vol 109 (42) ◽  
pp. 19851-19858 ◽  
Author(s):  
E. S. Boek ◽  
J. T. Padding ◽  
W. K. den Otter ◽  
W. J. Briels
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Bilayer Membranes ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

scholarly journals Bilayer sheet protrusions and budding from bilayer membranes induced by hydrolysis and condensation reactions

Soft Matter ◽  
2018 ◽  
Vol 14 (8) ◽  
pp. 1397-1407 ◽  
Author(s):  
Koh M. Nakagawa ◽  
Hiroshi Noguchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Bilayer Membranes ◽  
Condensation Reactions ◽  
Amphiphilic Molecules ◽  
Hydrolysis And Condensation ◽  
Shape Transformations ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Shape transformations of flat bilayer membranes and vesicles induced by hydrolysis and condensation reactions of amphiphilic molecules are studied using coarse-grained molecular dynamics simulations.

scholarly journals Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering

2019 ◽  
Vol 21 (34) ◽  
pp. 18714-18726 ◽  
Author(s):  
Naishen Gao ◽  
Guanyi Hou ◽  
Jun Liu ◽  
Jianxiang Shen ◽  
Yangyang Gao ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Nanocomposites ◽  
Coarse Grained ◽  
Enhancement Effect ◽  
Interfacial Engineering ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Using coarse-grained molecular-dynamics simulations, we have successfully fabricated ideal, mechanically-interlocked polymer nanocomposites exhibiting a significant mechanical enhancement effect.

Self-assembly and structural manipulation of diblock-copolymer grafted nanoparticles in a homopolymer matrix

2019 ◽  
Vol 21 (22) ◽  
pp. 11785-11796 ◽  
Author(s):  
Sai Li ◽  
Zhiyu Zhang ◽  
Guanyi Hou ◽  
Jun Liu ◽  
Yangyang Gao ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Coarse Grained ◽  
Grafted Nanoparticles ◽  
Structural Manipulation ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Detailed coarse-grained molecular dynamics simulations are performed to investigate the structural and mechanical properties of nanoparticles (NPs) grafted with an amphiphilic AB diblock copolymer, with the A-block being compatible with NPs and the B-block being miscible with a homopolymer matrix.

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