scholarly journals Manipulating molecular order in nematic liquid crystal capillary bridgesviasurfactant adsorption: guiding principles from dissipative particle dynamics simulations

2018 ◽  
Vol 20 (48) ◽  
pp. 30514-30524 ◽  
Author(s):  
Zeynep Sumer ◽  
Alberto Striolo
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystals ◽  
Nematic Liquid Crystal ◽  
Dissipative Particle Dynamics ◽  
Tail Length ◽  
Particle Dynamics ◽  
Molecular Order ◽  
Guiding Principles ◽  
Dynamics Simulations

Effect of surfactant tail length on the orientation of liquid crystals is investigated with dissipative particle dynamics (DPD) simulations.

scholarly journals Mesoscopic simulations of temperature-dependent anchoring and wetting behavior at aqueous–liquid crystal interfaces in the presence of a rod–coil amphiphilic monolayer

RSC Advances ◽  
2018 ◽  
Vol 8 (73) ◽  
pp. 42060-42067 ◽  
Author(s):  
Zunmin Zhang ◽  
Hongxia Guo ◽  
Erik Nies
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystals ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Temperature Dependent ◽  
Wetting Behavior ◽  
Thermotropic Liquid Crystals ◽  
Dynamics Simulations ◽  
Crystal Interfaces ◽  
Mesoscopic Simulations

Dissipative particle dynamics simulations have been applied to study the temperature dependent anchoring and wetting behavior of thermotropic liquid crystals (LCs) in the presence of a rod–coil amphiphilic monolayer at the aqueous–LC interface.

scholarly journals Self-assembly and mesophase formation in a non-ionic chromonic liquid crystal system: insights from dissipative particle dynamics simulations

2014 ◽  
Vol 16 (42) ◽  
pp. 23074-23081 ◽  
Author(s):  
Martin Walker ◽  
Andrew J. Masters ◽  
Mark R. Wilson
Keyword(s):  
Liquid Crystal ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Poly Ethylene Glycol ◽  
Mesophase Formation ◽  
Liquid Crystal System ◽  
Poly Ethylene ◽  
Dynamics Simulations ◽  
Dpd Simulation

Results are presented from a dissipative particle dynamics (DPD) simulation of a model non-ionic chromonic system, TP6EO2M, composed of a poly(ethylene glycol) functionalised aromatic (triphenylene) core.

New structure induced by elastic anisotropy in cylindrical nematic liquid crystal

2017 ◽  
Vol 13 (2) ◽  
pp. 4705-4717
Author(s):  
Zhang Qian ◽  
Zhou Xuan ◽  
Zhang Zhidong
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystals ◽  
Nematic Liquid Crystal ◽  
Elastic Anisotropy ◽  
Nematic Liquid Crystals ◽  
Gennes Theory

Basing on Landau–de Gennes theory, this study investigated the chiral configurations of nematic liquid crystals confined to cylindrical capillaries with homeotropic anchoring on the cylinder walls. When the elastic anisotropy (L2/L1) is large enough, a new structure results from the convergence of two opposite escape directions of the heterochiral twist and escape radial (TER) configurations. The new defect presents when L2/L1≥7 and disappears when L2/L1<7. The new structure possesses a heterochiral hyperbolic defect at the center and two homochiral radial defects on both sides. The two radial defects show different chiralities.

Coarse-Graining of Chain Models in Dissipative Particle Dynamics Simulations†

2011 ◽  
Vol 50 (1) ◽  
pp. 69-77 ◽  
Author(s):  
Justin R. Spaeth ◽  
Todd Dale ◽  
Ioannis G. Kevrekidis ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Dissipative Particle Dynamics ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Dynamics Simulations

A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents

Soft Matter ◽  
2017 ◽  
Vol 13 (36) ◽  
pp. 6178-6188 ◽  
Author(s):  
Haina Tan ◽  
Chunyang Yu ◽  
Zhongyuan Lu ◽  
Yongfeng Zhou ◽  
Deyue Yan
Keyword(s):  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
First Time ◽  
Dissipative Particle Dynamics Simulation

This work discloses for the first time the self-assembly phase diagrams of amphiphilic hyperbranched multiarm copolymers in various solvents by dissipative particle dynamics simulations.

scholarly journals Correction: Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (66) ◽  
pp. 41787-41787
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Shah Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Mesoscale Structure ◽  
Dynamics Simulations

Correction for ‘Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane’ by Yue Ma et al., RSC Adv., 2017, 7, 39676–39684.

scholarly journals Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (63) ◽  
pp. 39676-39684 ◽  
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Sha Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Small Particles ◽  
Cluster Network ◽  
Mesoscale Structure ◽  
Dynamics Simulations

The blend morphologies evolve from disordered small particles to a regular PVDF cluster network, which were connected by SPEEK cylindrical channels.

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