Mississippi State University
Date of Degree
Graduate Thesis - Open Access
Computational Engineering (Program)
Master of Science
James Worth Bagley College of Engineering
Computational Engineering Program
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.
Wu, Huangli, "Computational Simulation Of Dynamics Of Nematic Liquid Crystals In The Presence Of Nanoparticles And Biological Macromolecules" (2006). Theses and Dissertations. 1143.