scholarly journals Engineering porous two-dimensional lattices via self-assembly of non-convex hexagonal platelets

2020 ◽  
Vol 5 (1) ◽  
pp. 376-384 ◽  
Author(s):  
Nikoletta Pakalidou ◽  
Junju Mu ◽  
Andrew J. Masters ◽  
Carlos Avendaño
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Porous Structures

In this work, a molecular-dynamics simulation study of the formation of ordered two-dimensional porous structures is presented.

Self-Assembly of Poly(4-methylstyrene)-g-poly(methacrylic acid) Graft Copolymer in Selective Solvents for Grafts: Scattering and Molecular Dynamics Simulation Study

Langmuir ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. 9289-9296 ◽  
Author(s):  
Miroslav Štěpánek ◽  
Peter Košovan ◽  
Karel Procházka ◽  
Miroslav Janata ◽  
Miloš Netopilík ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graft Copolymer ◽  
Simulation Study ◽  
Methacrylic Acid ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Selective Solvents

Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study

2020 ◽  
Vol 504 ◽  
pp. 144397 ◽  
Author(s):  
Jianwei Zhang ◽  
Jianlei Cui ◽  
Fengqi Wei ◽  
Wenjun Wang ◽  
Xiaoqiao He ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Limiting Factors

Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

2017 ◽  
Vol 5 (37) ◽  
pp. 9602-9610 ◽  
Author(s):  
Makoto Yoneya ◽  
Satoshi Matsuoka ◽  
Jun’ya Tsutsumi ◽  
Tatsuo Hasegawa
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Semiconducting Polymers ◽  
Dynamics Simulation ◽  
Polymer Thin Film ◽  
Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.

scholarly journals Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two‐Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study

ChemSusChem ◽  
2018 ◽  
Vol 11 (12) ◽  
pp. 1892-1899 ◽  
Author(s):  
Kui Xu ◽  
Zifeng Lin ◽  
Céline Merlet ◽  
Pierre‐Louis Taberna ◽  
Ling Miao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Metal Carbide

Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

2018 ◽  
Vol 20 (40) ◽  
pp. 25883-25891 ◽  
Author(s):  
Dwadasi Balarama Sridhar ◽  
Rakesh Gupta ◽  
Beena Rai
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Surface Coverage ◽  
Dynamics Simulation ◽  
Effect Of Surface

The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

scholarly journals Melting scenarios of two-dimensional Hertzian spheres with a single triangular lattice

Soft Matter ◽  
2020 ◽  
Vol 16 (16) ◽  
pp. 3962-3972 ◽  
Author(s):  
E. N. Tsiok ◽  
E. A. Gaiduk ◽  
Yu. D. Fomin ◽  
V. N. Ryzhov
Keyword(s):  
Molecular Dynamics ◽  
Phase Diagram ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Triangular Lattice ◽  
Dynamics Simulation ◽  
Two Dimensional

We present a molecular dynamics simulation study of the phase diagram and melting scenarios of two-dimensional Hertzian spheres with exponent 7/2.

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