scholarly journals Self-assembly of the decagonal quasicrystalline order in simple three-dimensional systems

Soft Matter ◽  
2015 ◽  
Vol 11 (35) ◽  
pp. 6991-6998 ◽  
Author(s):  
Roman Ryltsev ◽  
Boris Klumov ◽  
Nikolay Chtchelkatchev
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Three Dimensional ◽  
Length Scale ◽  
Component System ◽  
Decagonal Quasicrystals ◽  
Dynamics Simulations

Using molecular dynamics simulations we show that a one-component system with purely repulsive two-length-scale potential can form decagonal quasicrystals.

scholarly journals Universal self-assembly of one-component three-dimensional dodecagonal quasicrystals

Soft Matter ◽  
2017 ◽  
Vol 13 (29) ◽  
pp. 5076-5082 ◽  
Author(s):  
Roman Ryltsev ◽  
Nikolay Chtchelkatchev
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Molecular Dynamics Simulations ◽  
Radial Distribution Function ◽  
Self Assembly ◽  
Three Dimensional ◽  
Analytical Continuation ◽  
Length Scale ◽  
Component Systems ◽  
Dynamics Simulations

Using molecular dynamics simulations and new method based on numerical analytical continuation of the radial distribution function, we find universal criterion for dodecagonal quasicrystal formation in one-component systems with two-length-scale potentials.

scholarly journals A class of organic cages featuring twin cavities

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Zhenyu Yang ◽  
Chunyang Yu ◽  
Junjie Ding ◽  
Lihua Chen ◽  
Huiyu Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Porous Materials ◽  
Self Assembly ◽  
Rational Design ◽  
Three Dimensional ◽  
The Self ◽  
Emergent Properties ◽  
Dynamics Simulations ◽  
Single Cavity

AbstractA variety of organic cages with different geometries have been developed during the last decade, most of them exhibiting a single cavity. In contrast, the number of organic cages featuring a pair of cavities remains scarce. These structures may pave the way towards novel porous materials with emergent properties and functions.We herein report on rational design of a three-dimensional hexaformyl precursor 1, which exhibits two types of conformers, i.e. Conformer-1 and -2, with different cleft positions and sizes. Aided by molecular dynamics simulations, we select two triamino conformation capturers (denoted CC). Small-sized CC-1 selectively capture Conformer-1 by matching its cleft size, while the large-sized CC-2 is able to match and capture both conformers. This strategy allows the formation of three compounds with twin cavities, which we coin diphane. The self-assembly of diphane units results in superstructures with tunable proton conductivity, which reaches up to 1.37×10-5 S cm-1.

scholarly journals Self-assembly of three-dimensional ensembles of magnetic particles with laterally shifted dipoles

Soft Matter ◽  
2016 ◽  
Vol 12 (7) ◽  
pp. 2066-2075 ◽  
Author(s):  
Arzu B. Yener ◽  
Sabine H. L. Klapp
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Magnetic Particles ◽  
Colloidal Particles ◽  
Three Dimensional ◽  
The Self ◽  
Dynamics Simulations

Using molecular dynamics simulations we investigate the self-assembly behaviour of colloidal particles with laterally shifted dipoles.

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...

Photoluminescent organic polymer nanofilms formed in water through a self-assembly formation mechanism

2019 ◽  
Vol 7 (11) ◽  
pp. 3286-3293 ◽  
Author(s):  
Baoxi Feng ◽  
Zhen Xu ◽  
Jiayu Wang ◽  
Fei Feng ◽  
Lin Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Real Time ◽  
Formation Mechanism ◽  
Self Assembly ◽  
Organic Polymer ◽  
Assembly Mechanism ◽  
Real Time Visualization ◽  
Dynamics Simulations

A self-assembly mechanism is demonstrated for the formation of polymer nanofilms based on real-time visualization and molecular dynamics simulations.

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