Wittkowski Raphael, Löwen Hartmut, Brand Helmut R
Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jun;83(6 Pt 1):061706. doi: 10.1103/PhysRevE.83.061706. Epub 2011 Jun 22.
Two-dimensional polar liquid crystals have been discovered recently in monolayers of anisotropic molecules. Here, we provide a systematic theoretical description of liquid-crystalline phases for polar particles in two spatial dimensions. Starting from microscopic density functional theory, we derive a phase-field-crystal expression for the free-energy density that involves three local order-parameter fields, namely the translational density, the polarization, and the nematic order parameter. Various coupling terms between the order-parameter fields are obtained, which are in line with macroscopic considerations. Since the coupling constants are brought into connection with the molecular correlations, we establish a bridge from microscopic to macroscopic modeling. Our theory provides a starting point for further numerical calculations of the stability of polar liquid-crystalline phases and is also relevant for modeling of microswimmers, which are intrinsically polar.
二维极性液晶最近在各向异性分子单层中被发现。在此,我们对二维空间中极性粒子的液晶相提供了一个系统的理论描述。从微观密度泛函理论出发,我们推导了一个自由能密度的相场晶体表达式,该表达式涉及三个局部序参量场,即平移密度、极化和向列序参量。得到了序参量场之间的各种耦合项,这些耦合项符合宏观考虑。由于耦合常数与分子相关性相关联,我们建立了从微观到宏观建模的桥梁。我们的理论为进一步数值计算极性液晶相的稳定性提供了一个起点,并且对于本质上具有极性的微游动器的建模也具有相关性。