scholarly journals Self-Assembly of Black Cumin Oil-Based Nanoemulsion on Various Surfactants: A Molecular Dynamics Study

2021 ◽  
Vol 25 (4) ◽  
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Black Cumin

Coarse-grained simulation of the self-assembly of lipid vesicles concomitantly with novel block copolymers with multiple tails

Soft Matter ◽  
2021 ◽  
Author(s):  
Alexander Kantardjiev
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymers ◽  
Self Assembly ◽  
Lipid Vesicles ◽  
The Self ◽  
Coarse Grained ◽  
Copolymer Concentration ◽  
Copolymer Structure ◽  
Coarse Grained Molecular Dynamics

We carried out a series of coarse-grained molecular dynamics liposome-copolymer simulations with varying extent of copolymer concentration in an attempt to understand the effect of copolymer structure and concentration on vesicle self-assembly and stability.

scholarly journals Variation of Interaction Zone Size For The Target Design of 2D Supramolecular Networks

2021 ◽  
Author(s):  
Łukasz Piotr Baran ◽  
Wojciech Rżysko ◽  
Dariusz Tarasewicz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Zone Size ◽  
Interaction Zone ◽  
Supramolecular Networks ◽  
Dynamics Simulations ◽  
Target Design

In this study we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of...

Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics

Nanoscale ◽  
2016 ◽  
Vol 8 (34) ◽  
pp. 15538-15552 ◽  
Author(s):  
Ying Zhao ◽  
Maksym Byshkin ◽  
Yue Cong ◽  
Toshihiro Kawakatsu ◽  
Liberata Guadagno ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Self Assembly ◽  
Polymer Melts ◽  
Electrical Behaviour ◽  
Particle Field ◽  
Hybrid Particle

The Investigation of the Self-Assembly of Crossed Multi-Shell Gold Nanowires

2007 ◽  
Vol 121-123 ◽  
pp. 401-406
Author(s):  
Jenn Sen Lin ◽  
Shin Pon Ju ◽  
M.H. Weng ◽  
Wen Jay Lee
Keyword(s):  
Molecular Dynamics ◽  
Circuit Design ◽  
Self Assembly ◽  
Helical Structure ◽  
The Self ◽  
Gold Nanowires ◽  
Motion Trajectory ◽  
Angular Correlation Function ◽  
Fcc Structure ◽  
Atom Motion

In this study, the molecular dynamics is employed to simulate the selfassembly of crossed gold nanowires at various temperatures. The nanowires with a multi-shell helical (HMS) structure are different from those of the bulk FCC structure. This work compares the morphology of crossed HMS nanowires with 7-1 structure after self-assembly and investigates the atom motion trajectory on the joint. The structure transform are observed from helical structure to FCC structure by angular correlation function (ACF). The results can be suggested for a nano-scale circuit design.

Self-assembly of aromatic amino acids: a molecular dynamics study

2018 ◽  
Vol 20 (48) ◽  
pp. 30525-30536 ◽  
Author(s):  
Sahin Uyaver ◽  
Helen W. Hernandez ◽  
M. Gokhan Habiboglu
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Self Assembly ◽  
Aromatic Amino Acids

Common structures identified in the assembly of aromatic amino acids and their mixtures include the four-fold tube (a and b) and the zig-zag structure (c and d).

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