Molecular Dynamics Simulation of Liquid Crystalline Polymer Networks and Flexible Polymer Network in Liquid Crystal Solution

2004 ◽  
Author(s):  
A. Zarembo
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Molecular Dynamics Simulation ◽  
Liquid Crystalline Polymer ◽  
Liquid Crystalline ◽  
Polymer Network ◽  
Polymer Networks ◽  
Crystalline Polymer ◽  
Dynamics Simulation ◽  
Flexible Polymer

Molecular dynamics simulation of a flexible polymer network in a liquid crystal solvent; structure and equilibrium properties

Polymer ◽  
2004 ◽  
Vol 45 (14) ◽  
pp. 4857-4866 ◽  
Author(s):  
Anatoly A. Darinskii ◽  
Anna Zarembo ◽  
Nikolai K. Balabaev ◽  
Igor M. Neelov ◽  
Franciska Sundholm
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Molecular Dynamics Simulation ◽  
Polymer Network ◽  
Dynamics Simulation ◽  
Solvent Structure ◽  
Flexible Polymer

Molecular dynamics simulation of a flexible polymer network in a liquid crystalline solvent; dynamical properties

Polymer ◽  
2004 ◽  
Vol 45 (26) ◽  
pp. 8901-8911 ◽  
Author(s):  
Anatoly A. Darinskii ◽  
Anna Zarembo ◽  
Nikolai K. Balabaev ◽  
Igor M. Neelov ◽  
Franciska Sundholm
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Crystalline ◽  
Polymer Network ◽  
Dynamics Simulation ◽  
Flexible Polymer ◽  
Dynamical Properties

Fast Switching of Vertical Alignment Liquid Crystal Cells with Liquid Crystalline Polymer Networks

2009 ◽  
Vol 48 (5) ◽  
pp. 056507 ◽  
Author(s):  
Jong-In Baek ◽  
Ki-Han Kim ◽  
Jae Chang Kim ◽  
Tae-Hoon Yoon ◽  
Hwa Sung Woo ◽  
...  
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystalline Polymer ◽  
Liquid Crystalline ◽  
Polymer Networks ◽  
Crystalline Polymer ◽  
Vertical Alignment ◽  
Fast Switching ◽  
Crystal Cells

Investigation of the Microscopic Viscoelastic Property for Cross-linked Polymer Network by Molecular Dynamics Simulation

2011 ◽  
Vol 39 (1) ◽  
pp. 44-58 ◽  
Author(s):  
Y. Masumoto ◽  
Y. Iida
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Analytical Method ◽  
Viscoelastic Properties ◽  
Polymer Network ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
The Cross ◽  
Microscopic Dynamic ◽  
Coarse Grained Molecular Dynamics

Abstract The purpose of this work is to develop a new analytical method for simulating the microscopic mechanical property of the cross-linked polymer system using the coarse-grained molecular dynamics simulation. This new analytical method will be utilized for the molecular designing of the tire rubber compound to improve the tire performances such as rolling resistance and wet traction. First, we evaluate the microscopic dynamic viscoelastic properties of the cross-linked polymer using coarse-grained molecular dynamics simulation. This simulation has been conducted by the coarse-grained molecular dynamics program in the OCTA) (http://octa.jp/). To simplify the problem, we employ the bead-spring model, in which a sequence of beads connected by springs denotes a polymer chain. The linear polymer chains that are cross-linked by the cross-linking agents express the three-dimensional cross-linked polymer network. In order to obtain the microscopic dynamic viscoelastic properties, oscillatory deformation is applied to the simulation cell. By applying the time-temperature reduction law to this simulation result, we can evaluate the dynamic viscoelastic properties in the wide deformational frequency range including the rubbery state. Then, the stress is separated into the nonbonding stress and the bonding stress. We confirm that the contribution of the nonbonding stress is larger at lower temperatures. On the other hand, the contribution of the bonding stress is larger at higher temperatures. Finally, analyzing a change of microscopic structure in dynamic oscillatory deformation, we determine that the temperature/frequency dependence of bond stress response to a dynamic oscillatory deformation depends on the temperature dependence of the average bond length in the equilibrium structure and the temperature/frequency dependence of bond orientation. We show that our simulation is a useful tool for studying the microscopic properties of a cross-linked polymer.

scholarly journals Formation of a columnar liquid crystal in a simple one-component system of particles

Soft Matter ◽  
2015 ◽  
Vol 11 (23) ◽  
pp. 4606-4613 ◽  
Author(s):  
Alfredo Metere ◽  
Sten Sarman ◽  
Tomas Oppelstrup ◽  
Mikhail Dzugutov
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Spherically Symmetric ◽  
Identical Particles ◽  
Component System ◽  
Symmetric Potential ◽  
System Of Particles

We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interactingviaa spherically symmetric potential.

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