Atomistic Simulations as Bulk Elastic Probes in Liquid Crystalline Systems

ORAL

Abstract

Recent experimental measurements on confined liquid crystals have questioned long-established rules which place bounds upon the values of curvature elastic coefficients. We will describe how new advances in molecular simulation have enabled the direct extraction of elastic moduli from atomistic models of liquid crystals, and present results obtained from transferrable models of molecular liquid crystals, including homologues and derivatives of the common nematogen 5CB. In particular, this work explores how the surface-like elastic coefficient k24 is affected by the molecular identity of the nematogens.

–

Presenters

  • Jonathan Whitmer

    Chemical & Biomolecular Engineering, University of Notre Dame, Chemical and Biomolecular Engineering, University of Notre Dame, Univ of Notre Dame, Department of Chemical and Biomolecular Engineering, University of Notre Dame

Authors

  • Hythem Sidky

    Chemical and Biomolecular Engineering, University of Notre Dame, Univ of Notre Dame, Department of Chemical and Biomolecular Engineering, University of Notre Dame

  • Jonathan Whitmer

    Chemical & Biomolecular Engineering, University of Notre Dame, Chemical and Biomolecular Engineering, University of Notre Dame, Univ of Notre Dame, Department of Chemical and Biomolecular Engineering, University of Notre Dame