Influence of surface topography and chemistry on the wetting behavior of laser-patterned, metallic surfaces

表面的润湿行为对其抗微生物、摩擦和磨损性能或其粘附性具有显著影响。激光图案化的过程允许系统地改变表面的润湿性质。局部应用的能量修改的表面化学和地形，这两个都有润湿properties的影响。本建议系统地研究了激光图案化的金属表面上的润湿性能的影响。特别是，相关的关键参数将通过实验和模拟方法来确定。第一个目标是激光图案化铜样品的生成和表征以及合适的模拟模型的创建。对于激光图案化，使用非常精确和高效的直接激光干涉图案化（DLIP）方法。使用三种不同的脉冲激光系统（ns，ps，fs），以便通过利用不同的激光材料相互作用，这取决于脉冲持续时间，获得具有相似形貌的不同表面化学。首先，非均匀表面化学的影响将通过溅射工艺来消除。将使用高分辨率技术分析所产生的样品的形貌和表面化学，以创建合适的模拟模型。三种不同的方法被使用：能量最小化，粗粒分子动力学（MD）模拟，和完全原子的MD模拟。此外，化学均质表面的润湿行为既可以从宏观上确定，也可以通过一种专门开发的具有高空间分辨率的方法（偏最小二乘算法）确定。第二个目标是用上述方法模拟化学均质样品的润湿行为。的主要激光图案，表面化学，和叠加的纳米粗糙度的影响将进行研究。此外，连续介质方法和MD模拟将进行比较，这是进一步的多尺度modeling.Final目标的一个重要先决条件是识别的激光图案，化学不均匀表面的润湿的关键参数，并比较实验和模拟。特别是，可预测性和所需的计算工作的模拟方法将进行评估。这是一个里程碑领域的激光图案化金属表面的润湿行为，因为有没有在相关文献中达成共识，至今。

The wetting behavior of surfaces has drastic effects on their antimicrobial, friction and wear properties, or their adhesion. The process of laser patterning allows to change the wetting properties of surfaces systematically. The local application of energy modifies both the surface chemistry and the topography, which both have an influence on the wetting properties.The present proposal systematically investigates the influence of laser patterning of metallic surfaces on their wetting properties. In particular, the relevant key parameters shall be identified with the aid of experimental and simulative methods.The first goal is the generation and characterization of laser-patterned copper samples and the creation of suitable simulation models. For laser patterning, the extremely precise and efficient method of Direct Laser Interference Patterning (DLIP) is used. Three different pulsed laser systems (ns, ps, fs) are used in order to obtain different surface chemistry with similar topography by exploiting the varying laser material interaction, which depends on the pulse duration. First, the effect of an inhomogeneous superficial chemistry is to be egalized by sputtering processes. The resulting topography and surface chemistry of the produced samples will be analyzed using high resolution techniques in order to create suitable simulation models. Three different approaches are used: energy minimization, coarse grained molecular dynam-ics (MD) simulations, and fully atomistic MD simulations. Furthermore, the wetting behavior of the chemically homogeneous surfaces is determined both macroscopically and by a specially developed method (Partial Least Squares Algorithm) with high spatial resolution.The second goal is the simulation of the wetting behavior of the chemically homogeneous samples with the above mentioned methods. The influence of the primary laser pattern, the surface chemistry, and a superimposed nano-roughness will be investigated. Furthermore, continuum approach and MD simulations will be compared, which is an important prerequisite for further multi-scale modelling.The final goal is to identify the key parameters in the wetting of laser-patterned, chemically inhomogeneous surfaces and to compare experiment and simulation. In particular, the pre-dictability and the required calculation effort of the simulation methods will be evaluated.This is a milestone in the field of the wetting behavior of laser-patterned metallic surfaces, as there is no consensus in the relevant literature so far.