Dynamic wetting phenomena in lattice models for nematic fluids/liquid crystals nearswitchable substrate potentials

利用理论方法和伴随的模拟，我们将研究可切换衬底附近的液晶。特别感兴趣的是润湿转换和不同润湿状态之间切换的方法。作为一个模型系统，我们考虑具有短程引力的晶格棒。我们已经开发并将进一步改进这些模型的经典密度泛函，并制定合适的动态密度泛函理论。将计算向列有序（直立或平躺）和近晶（可能有分层过渡）薄膜的润湿相图。特别感兴趣的将是近晶层形成的动力学和不同取向的向列湿润状态之间的切换动力学。在这些过程中，很少涉及质量输运，因此我们期望类似于布朗动力学的晶格动力学可以很好地描述这些过程。将进行大正则型和动力学蒙特卡罗型的互补模拟，以衡量和验证理论结果。通过与试验组的合作，测试近晶分层的时间依赖性和向列湿润状态之间切换的结果。

Using theoretical methods and accompanying simulations, we will investigate liquid crystals near switchable substrates. Of particular interest is the approach to wetting transitions and switches between different wetting states.As a model system, we consider lattice rods with short–range attractions. We have developed and will further improve classical density functionals for these models as well as formulate a suitable dynamic density functional theory.Wetting phase diagrams will be computed for nematically ordered (upright or lying–down) and smectic (with possible layering transitions) films. Of particular interest will be the dynamics of smectic layer formation and the switching dynamics between nematic wetting states of different orientation. In these processes, there is little mass transport involved and thus we expect that a lattice dynamics akin to Brownian dynamics can describe these well.Complementary simulations of grand canonical and kinetic Monte Carlo type will be performed to gauge and validate the theoretical results. Through collaborations with experimental groups the results on time–dependence of smectic layering and of the switching between nematic wetting states shall be tested.