Structure and internal dynamics of a side chain liquid crystalline polymer in various phases by molecular dynamics simulations: A step towards coarse graining

2007 ◽  
Vol 126 (17) ◽  
pp. 174905 ◽  
Author(s):  
Jaroslav M. Ilnytskyi ◽  
Dieter Neher
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline Polymer ◽  
Liquid Crystalline ◽  
Coarse Graining ◽  
Crystalline Polymer ◽  
Side Chain ◽  
Internal Dynamics ◽  
Dynamics Simulations

Molecular Dynamics of Side Chain Liquid Crystalline Polysiloxanes

1996 ◽  
Vol 425 ◽  
Author(s):  
G. M. Podojil ◽  
B. L. Farmer ◽  
T. J. Bunning ◽  
R. Pachter ◽  
W. W. Adams
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Crystalline State ◽  
Liquid Crystalline ◽  
Side Chain ◽  
Flexible Spacer ◽  
Siloxane Oligomers ◽  
Dynamics Simulations ◽  
The Individual ◽  
Insight Into

AbstractMolecular dynamics simulations have been used to characterize the development and longevity of associations between cholesterol and biphenyl mesogens when attached to linear siloxane oligomers by flexible spacer groups. Single substituents, alternating substituents, and diblock and triblock arrangements of the substituents were considered. The backbone and spacer groups allow sufficient flexibility that long-lived associations between cholesterol mesogens form quite rapidly, as do more fluid associations between biphenyl and cholesterol mesogens. The study of the individual mesogen interactions and how these lead to larger scale aligned structures has provided insight into the nature of the liquid crystalline state in these materials.

Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

2022 ◽  
Author(s):  
Bharti bharti ◽  
Debabrata Deb
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Two Dimensional ◽  
One Dimensional ◽  
The One ◽  
Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

Hemiphasmidic Side-Chain Liquid Crystalline Polymer: From Smectic C Phase to Columnar Phase with a Bundle of Chains as Its Building Block

2012 ◽  
Vol 1 (5) ◽  
pp. 641-645 ◽  
Author(s):  
Jun-Feng Zheng ◽  
Xin Liu ◽  
Xiao-Fang Chen ◽  
Xiang-Kui Ren ◽  
Shuang Yang ◽  
...  
Keyword(s):  
Building Block ◽  
Liquid Crystalline Polymer ◽  
Liquid Crystalline ◽  
Crystalline Polymer ◽  
Side Chain ◽  
Columnar Phase ◽  
Smectic C
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