Theses and Dissertations

Huangli Wu

Issuing Body

Mississippi State University

Advisor

Mohanraj, Rajendran

Committee Member

Luke, Edward

Committee Member

Lim, Hyeona

Date of Degree

8-5-2006

Document Type

Graduate Thesis - Open Access

Major

Computational Engineering (Program)

Degree Name

Master of Science

College

James Worth Bagley College of Engineering

Department

Computational Engineering Program

Abstract

Recent research shows that liquid crystals can be used to report the presence of different types of substances through optical amplication of ligand-receptor binding. In this work, simulations based on a coarse-grained method have been performed to study a class of liquid-crystal-based sensors. A tensor order parameter was used to model the liquid crystalline system and the Beris-Edwards formulation was employed to obtain the time evolution of a liquid crystal medium containing particles. The simulation cases are built using three-dimensional unstructured meshes and the simulation geometries studied include simple models involving spheres as well as detailed modeling for a protein. The dynamics of a liquid crystal medium confined between two solid walls has been studied in the presence of spherical particles and a representative biological macromolecule. Comparisons of steady state and transient solutions from the present study with corresponding results from molecular dynamics based simulations in the literature yield good agreements.

URI

https://hdl.handle.net/11668/17353

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