Experimental and Density Functional Theory Investigation of Grain Boundary Character on Oxide Layer Growth in Pipeline Steel under Acidic Environment
摘要
Grain boundary character plays a critical role in corrosion processes, particularly in aggressive or acidic environments where preferential dissolution and oxide formation can localize at microstructural features. Prior studies have shown the effect of different crystallographic grain orientations on oxygen adsorption, with Fe (100) surfaces favoring more stable oxide formation than Fe (110); however, the effect of grain boundary character remains largely unaddressed in the literature. This study investigates the influence of grain boundary misorientation on oxide deposition behavior in pipeline steel. Using a combination of EBSD and surface analytical techniques (SEM, XPS, and surface profilometry), the distribution, thickness, and composition of corrosion-induced oxides were correlated with local grain boundary misorientations. The results revealed that high-angle grain boundaries exhibit significantly more oxide accumulation, with thicker corrosion product layers observed with increasing misorientation angles. DFT calculations indicate that high-angle grain boundaries (HAGBs) have stronger oxygen adsorption and promote dissociative adsorption, which supports the experimental observation of thicker and more continuous oxide layers forming along HAGBs. Furthermore, XPS results identified Fe2O3 as the dominant product after corrosion. These results demonstrate a clear relationship between grain boundary misorientation and oxide formation behavior in acidic environments.