A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flow.
By means of a combination of equilibrium Monte Carlo and molecular dynamics simulations and nonequilibrium molecular dynamics we investigate the ordered, uniaxial phases (i.e., nematic and smectic A) of a model liquid crystal. We characterize equilibrium behavior through their diffusive behavior and elastic properties. As one approaches the equilibrium isotropic-nematic phase transition, diffusion becomes anisotropic in that self-diffusion D⊥in the direction orthogonal to a molecule's long axis is more hindered than self-diffusion D∥in the direction parallel to that axis. Close to nematic-smectic A phase transition the opposite is true, D∥< D⊥. The Frank elastic constants K1, K2, and K3for the respective splay, twist, and bend deformations of the director field n̂ are no longer equal and exhibit a temperature dependence observed experimentally for cyanobiphenyls. Under nonequilibrium conditions, a pressure gradient applied to the smectic A phase generates Poiseuille-like or plug flow depending on whether the convective velocity is parallel or orthogonal to the plane of smectic layers. We find that in Poiseuille-like flow the viscosity of the smectic A phase is higher than in plug flow. This can be rationalized via the velocity-field component in the direction of the flow. In a sufficiently strong flow these smectic layers are not destroyed but significantly bent.
Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany.
Sergej
S
Püschel-Schlotthauer
Max Planck Institute for Dynamics and Self-Organization (MPIDS), Am Faßberg 17, 37077 Göttingen, Germany.
Victor
V
Meiwes Turrión
Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany.
Tillmann
T
Stieger
Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany.
Robin
R
Grotjahn
Department of Chemical and Biomolecular Engineering, Engineering Building I, Box 7905, North Carolina State University, 911 Partners Way, Raleigh, North Carolina 27695, USA.
Carol K
CK
Hall
Max Planck Institute for Dynamics and Self-Organization (MPIDS), Am Faßberg 17, 37077 Göttingen, Germany.
Marco G
MG
Mazza
Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany.
Martin
M
Schoen