scholarly journals Polymer translocation through a nanopore induced by adsorption: Monte Carlo simulation of a coarse-grained model

2004 ◽  
Vol 121 (12) ◽  
pp. 6042-6051 ◽  
Author(s):  
Andrey Milchev ◽  
Kurt Binder ◽  
Aniket Bhattacharya
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Coarse Grained ◽  
Coarse Grained Model ◽  
Polymer Translocation

Coarse-grained Monte Carlo simulation of excitation and ionization collisions

2016 ◽  
Author(s):  
Hai P. Le ◽  
Bokai Yan ◽  
Russel E. Caflisch ◽  
Jean-Luc Cambier
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Coarse Grained

The structure of polymer brushes near the transition from dilute to dense systems. A computer simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Simulation Study ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Coarse Grained Model ◽  
Cooperative Motion

Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed in order and the Cooperative Motion Algorithm was employed to...

scholarly journals Simulations of the 2D self-assembly of tripod-shaped building blocks

2020 ◽  
Vol 11 ◽  
pp. 884-890
Author(s):  
Łukasz Baran ◽  
Wojciech Rżysko ◽  
Edyta Słyk
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Diffraction Pattern ◽  
Triangular Lattice ◽  
Self Assembly ◽  
Building Blocks ◽  
Coarse Grained ◽  
Coarse Grained Model

We introduce a molecular dynamics (MD) coarse-grained model for the description of tripod building blocks. This model has been used by us already for linear, V-shape, and tetratopic molecules. We wanted to further extend its possibilities to trifunctional molecules to prove its versatility. For the chosen systems we have also compared the MD results with Monte Carlo results on a triangular lattice. We have shown that the constraints present in the latter method can enforce the formation of completely different structures, not reproducible with off-lattice simulations. In addition to that, we have characterized the obtained structures regarding various parameters such as theoretical diffraction pattern and average association number.

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