Investigation on the selective corrosion behavior of alloys: First-principles calculations and experimental study

Selective corrosion is commonly present in single-phase and multiphase alloys, which could lead to loss of alloy composition, structural damage, and decreased mechanical strength, resulting in serious consequences and hazards. However, the methods for predicting selective corrosion mainly rely on experiments, which consume time and resources. More importantly, the research on simulation computation for selective corrosion was limited and lacked systematicity. A novel method based on First-principles calculation was developed to predict the selective corrosion behavior of single phase alpha-Brass and 2205 DSS. The present study addressed the research gap in selective corrosion by incorporating advanced simulation calculations. Electrochemical testing was conducted on typical alloys to verify the accuracy of the prediction method. The corrosion data showed the error of this approach was less than 10 %, exhibiting high prediction accuracy for selective corrosion in alloys.