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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets

Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets

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Flow alignment phenomena in liquid crystals studied by molecular dynamics simulation.

Sten Sarman¹, Aatto Laaksonen

¹Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, 106 31 Stockholm, Sweden. stens@fos.su.se

The Journal of Chemical Physics

|October 17, 2009

Summary

Researchers studied nematic liquid crystal flow alignment across temperatures. Consistent alignment angles were found using multiple simulation methods, revealing flow instability near the smectic A transition.

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Area of Science:

Materials Science
Condensed Matter Physics
Rheology

Background:

Nematic liquid crystals exhibit unique flow alignment properties.
Understanding flow behavior is crucial for their applications.
The nematic-smectic A transition influences material properties.

Purpose of the Study:

To investigate the flow alignment angle of nematic liquid crystals.
To study this alignment as a function of temperature, approaching the smectic A phase transition.
To validate simulation methods for predicting flow alignment.

Main Methods:

Nonequilibrium molecular dynamics (NEMD) to estimate twist viscosities.
Equilibrium fluctuation relations for cross-checking.
Shear flow simulations using SLLOD equations of motion.

Main Results:

Consistent alignment angles were obtained across all employed simulation methods.
Flow instability was observed at low temperatures near the nematic-smectic A transition.
The alignment angle was calculated as a function of time in the unstable region.

Conclusions:

Multiple simulation techniques provide reliable results for nematic liquid crystal flow alignment.
Flow instability is a key characteristic near the nematic-smectic A phase transition.
Time-dependent calculations are necessary to describe alignment in unstable flow regimes.