Corrosion behavior of droplet moving on metal copper surfaces: A reactive molecular dynamics simulation investigation

C Zhao and H Dong and N Kong and X Tan and JP Zhou, COMPUTATIONAL MATERIALS SCIENCE, 239, 112987 (2024).

DOI: 10.1016/j.commatsci.2024.112987

The corrosion behavior of moving droplet using reactive molecular dynamics simulation, especially the moving droplet induced is studied for the first time to the best of our knowledge. The effect of wetting on corrosion is mainly reflected in the ordered structure. The ordered structure, which promotes efficient interfacial charge transfer. Residues such as water molecules, aggressive ions and hydrogen ions fill copper surface defects. Moreover, the trace charge atoms on the metal surface and the anions in the ordered structure will form a built-in electric field by Coulomb interaction. Furthermore, there is a combination of "sliding" and "rolling" movement mechanisms.

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