Praetorius Simon, Voigt Axel, Wittkowski Raphael, Löwen Hartmut
Institute of Scientific Computing, Technical University Dresden, D-01062 Dresden, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 May;87(5):052406. doi: 10.1103/PhysRevE.87.052406. Epub 2013 May 28.
A phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid-crystalline phases in two spatial dimensions. Depending on the model parameters, there is a variety of possible coexistences between two liquid-crystalline phases, including a plastic triangular crystal (PTC). Here, we numerically calculate the profiles for the mean density and for the nematic order tensor across the interface for isotropic-PTC and columnar-PTC (or equivalently smectic-A-PTC) phase coexistence. As a general finding, the width of the interface with respect to the nematic order parameter characterizing the orientational order is larger than the width of the mean-density interface. In approaching the interface from the PTC side, at first, the mean density goes down, and then the nematic order parameter follows. The relative shift in the two profiles can be larger than a full lattice constant of the plastic crystal. Finally, we also present numerical results for the dynamic relaxation of an initial order-parameter profile towards its equilibrium interfacial profile. Our predictions for the interfacial profiles can, in principle, be verified in real-space experiments of colloidal dispersions.
相场晶体模型用于研究二维空间中两个共存液晶相之间界面的结构和热力学性质。根据模型参数,两个液晶相之间存在多种可能的共存情况,包括塑性三角晶体(PTC)。在此,我们通过数值计算得出了各向同性 - PTC和柱状 - PTC(或等效的近晶A - PTC)相共存时界面上平均密度和向列序张量的分布曲线。一般来说,相对于表征取向序的向列序参数,界面宽度大于平均密度界面的宽度。从PTC一侧靠近界面时,首先平均密度下降,然后向列序参数随之下降。两条曲线的相对位移可能大于塑性晶体的一个完整晶格常数。最后,我们还给出了初始序参量分布向其平衡界面分布动态弛豫的数值结果。原则上,我们对界面分布的预测可以在胶体分散体的实空间实验中得到验证。