| Popis: |
Topological defects are a ubiquitous phenomenon across different physical systems. A better understanding of defects can be helpful in elucidating the physical behaviors of many real materials systems. In nematic liquid crystals, defects exhibit unique optical signatures and can segregate impurities, showing their promise as molecular carriers and nano-reactors. Continuum theory and simulations have been successfully applied to link static and dynamical behaviors of topological defects to the material constants of the underlying nematic. However, further evidence and molecular details are still lacking. Here we perform molecular dynamics simulations of Gay-Berne particles, a model nematic, to examine the molecular structures and dynamics of +1/2 defects in a thin-film nematic. Specifically, we measure the bend-to-splay ratio |
