The theoretical prediction models of contact angle were constructed by considering the interface free energy. Then, the square column structure on monocrystalline silicon was fabricated using micro-milling. The rationality of prediction models was validated by regulating the parameters of the square column. It should be mentioned that the whole construction process was facile and efficient. After processing, the hydrophobicity of monocrystalline silicon with the square column structure was improved. The static contact angle of the processed monocrystalline silicon reached 165.8° when the side length of the square column was 60 μm. In addition, the correctness of the prediction models was verified from the perspective of molecular dynamics. The prediction models of contact angle were of great value for the practical application.
Keywords: hydrophobicity; micro-milling; molecular dynamics; prediction model; square column structure.