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Updated: Jun 18, 2026

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

Published on: May 15, 2017

Liquid-crystal transitions: a first-principles multiscale approach.

Z Shreif¹, S Pankavich, P Ortoleva

¹Department of Chemistry, Center for Cell and Virus Theory, Indiana University, Bloomington, Indiana 47405, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|November 13, 2009

Summary

This summary is machine-generated.

This study introduces a rigorous theory for liquid-crystal transitions using an all-atom approach. The new method offers computationally efficient simulations for various phase transitions, overcoming limitations of existing models.

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Area of Science:

Condensed Matter Physics
Statistical Mechanics
Materials Science

Background:

Liquid-crystal transitions are complex phenomena.
Existing models often require oversimplification or calibration.
A rigorous, computationally efficient theory is needed.

Purpose of the Study:

To develop a rigorous theory for liquid-crystal transitions from first principles.
To derive stochastic order-parameter field dynamics.
To enable less computationally intensive simulations.

Main Methods:

Starting from the Liouville equation and an all-atom description.
Utilizing order-parameter field variables and Newton's equations.
Deriving a functional generalization of the Smoluchowski equation and nonlocal Langevin equations.

Main Results:

A rigorous theory for liquid-crystal transitions is established.
The theory embeds atomic details into continuum descriptions.
Derived equations are applicable to various phase transitions without calibration.

Conclusions:

The developed theory provides a computationally efficient alternative to molecular dynamics.
It overcomes limitations of phenomenological field models.
The framework may apply to other phase transitions involving intermolecular structural parameters.