A Review of Molecular Dynamics Simulation of Corrosion Mechanism of Several Commonly Used Metals in Marine Atmosphere

Abstract

Improving the corrosion protection level of metal materials for ocean engineering equipment is of great significance for the improvement of the abilities to explore ocean resources. The macro corrosion mechanism of such metal materials have been investigated extensively, but the micro corrosion mechanism is still unclear. In this paper, the research progress of molecular dynamics simulation of metal materials for ocean engineering equipment was summarized. Besides, the potential function and model describing the reaction between metal and solution/gas, and the influence of different factors on metal corrosion were introduced respectively. Finally, in order to provide a reference for the study of more efficient and inexpensive corrosion protection methods, the problems existing in the current calculation and simulation of metal material corrosion were also analyzed and the prospects were put forward.

Keywords

• corrosion|metal material|reaction force field|molecular dynamics|surface orientation