Benetzung von strukturierten Wänden durch kristalline Phasen

在分子尺度上对结构化表面的润湿现象进行了理论研究。如果表面图案的周期性变得与微观颗粒的分子间间距相当，则预期会产生有趣的效果。可以想象的是，表面被结晶相润湿，只要其横向结构与表面结构相容。表面甚至可以被作为体相的亚稳定的结晶层覆盖。至于理论工具来研究这些影响，我们采用计算机模拟，密度泛函理论和唯象模型。特别是，开发的概念应适用于三相点润湿，并与实验数据进行比较。

Wetting phenomena at structured surfaces are theoretically investigated on a molecular scale. Interesting effects are expected if the periodicity of the surface pattern becomes comparable to the intermolecular spacing of the microscopic particles. It is conceivable that the surface is wetted by a crystalline phase provided its lateral structure is compatible with the surface structure. The surface can even be covered by crystalline layers which are metastable as bulk phase. As far as theoretical tools are concerned to investigate these effects, we employ computer simulations, density functional theory and phenomenological models. In particular, the concepts developed should be applied to triple point wetting and are compared to experimental data.