Development of a continuum mechanical model for the description and simulation of the interactions between water droplet, microstructured substrate and pollutant particles during self-cleaning

这一建议是我们之前对表面自清洁机制研究的延伸。在第一个为期一年的资助期内，已经开发了一个与粗糙表面接触的水滴的初始计算模型。这项新研究的主要目标是开发基于连续力学描述的自清洁表面机制的详细计算多尺度模型。考虑了三个模型级别，范围从液滴的毫米尺度到最细的表面凹凸的纳米尺度。这种方法也被看作是为将来扩展的第四个建模级别所做的准备，该级别在原子级别上描述交互。为了建立多尺度模型，需要经过三个中间步骤：首先，需要改进有限元膜配方；其次，需要为膜开发一个精细的计算接触公式，该公式可以解释膜表面内引起的旋转不连续。第三，对污染物颗粒的描述也需要细化。

This proposal is an extension of our previous work on self-cleaning surface mechanism. During the first one-year funding period, an initial computational model of a water droplet in contact with rough surfaces has been developed. The major goal of the new research is the development of a detailed computational multiscale model for self-cleaning surface mechanisms that is based on a continuum mechanical description. Three modelling levels are considered, ranging from the millimeter scale of the droplet down to the nanometer scale of the finest surface asperities. This approach is also seen as a preparation for a future extension by a fourth modelling level that describes the interactions at the atomic level. In order to develop the multiscale model, three intermediate steps are taken: Firstly, an improved finite element membrane formulation is required. Secondly, a refined computational contact formulation needs to be developed for the membrane that can account for the rotational discontinuities that are induced within the membrane surface. Thirdly, also the description of the pollutant particles needs to be refined.