Numerical Simulations of Topological Defects in Liquid Crystals

Brown University, Providence RI

Investigators

Abstract

This award supports theoretical and computational research and education on topological defects in liquid crystals. The PI seeks to elucidate the structure and dynamics of topological defects in liquid crystals with the use of large-scale numerical simulations of phenomenological liquid models of liquid crystals. Topological defects will be created by molecular dynamics simulations of rapid quenches to ordered phases of systems consisting of 500,000 or more liquid crystalline molecules. A variety of methods will be used to locate defects, including finite element analysis and visualization techniques. Particular attention will be paid to the core structure of defects and the effects of hydrodynamic flow on the dynamics of the defects. Students will be trained in the arts of parallel programming, scientific simulation, and visualization. This award supports theoretical research and education on liquid crystals which are materials with properties intermediate between those of solids and liquids. They are important for technological applications such as display devices, and layered liquid crystalline structures are relevant to biological research on lipid bilayers. The phase diagrams of liquid crystalline materials are particularly rich, as is their topological defect structure. Topological defects play an important role in a range of condensed matter physics phenomena including equilibration processes, certain phase transitions, and confined systems. The PI seeks to elucidate the structure and dynamics of topological defects in liquid crystals with the use of large-scale numerical simulations of phenomenological liquid models of liquid crystals. Topological defects will be created by molecular dynamics simulations of rapid quenches to ordered phases of systems consisting of 500,000 or more liquid crystalline molecules. A variety of methods will be used to locate defects, including finite element analysis and visualization techniques. Particular attention will be paid to the core structure of defects and the effects of hydrodynamic flow on the dynamics of the defects. Students will be trained in the arts of parallel programming, scientific simulation, and visualization