Three-dimensional Computational Modeling and Simulation of Intergranular Corrosion Propagation of Stainless Steel

Abstract

In oxidizing nitric acid solutions, stainless steel undergoes intergranular corrosion accompanied by grain dropping and changes in the corrosion rate. For the safe operation of reprocessing plants, this mechanism should be understood. In this study, we constructed a three-dimensional computational model using a cellular automata method to simulate the intergranular corrosion propagation of stainless steel. The computational model was constructed of three types of cells: grain (bulk), grain boundary (GB), and solution cells. Model simulations verified the relationship between surface roughness during corrosion and dispersion of the dissolution rate of the GB. The relationship was investigated by simulation applying a constant dissolution rate and a distributed dissolution rate of the GB cells. The distribution of the dissolution rate of the GB cells was derived from the intergranular corrosion depth obtained by corrosion tests. The constant dissolution rate of the GB was derived from the average dissolution rate. Surface roughness calculated by the distributed dissolution rates of the GBs of the model was greater than the constant dissolution rates of the GBs. The cross-sectional images obtained were comparable to the corrosion test results. These results indicate that the surface roughness during corrosion is associated with the distribution of the corrosion rate.