The Effects of Surface Texturing on the Oxidation of Metals Analyzed through Kinetic Monte Carlo Simulations.

ABSTRACT: Oxidation is a crucial aspect for the performance and design of metals, especially in high-temperature applications. In the present work, a kinetic Monte Carlo (KMC) model was used to analyze the effects of grain morphology, grain size, and grain configuration on oxidation performance. The model predicted that gradient structures with small grains near the surface helped reduce the oxidation rate by allowing for lateral rather than inward oxide growth. This led to the formation of protective oxide layers near the surface, which slowed additional inward oxygen diffusion. Vertical grains tended to increase the oxidation rate, while horizontally configured grains were found to inhibit oxidation. This is because the vertical grain boundaries (GB) provided fast pathways, enabling deep oxygen pe

SUBMITTER: Mysonhimer M 

PROVIDER: S-EPMC12902963 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature