The molecular simulations on metal corrosion studies are still in their early state compared to experimental corrosion research. The precise roles of alloying elements such as carbon, aggressive agents like sulphate ions, and microstructural features in the corrosion mechanism and dynamics is not well understood. The complexity increases when considering environmental influences such as temperature, pH, and the presence of aggressive ions. Due to the intricate nature of the corrosion process, there is a significant need to understand the mechanism, structure and dynamics of metal corrosion under various environmental conditions. As a result, metal corrosion remains a highly relevant and active area of research.