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Article summary:
1. Grain boundaries in alloys can significantly impact material properties and performance, including diffusion-induced grain boundary migration (DIGM) and selective intergranular oxidation.
2. Molecular dynamics simulations can help unravel the mechanisms of atomic diffusion, segregation, and grain boundary migration in nickel-based alloys.
3. The fastest diffusing species inverts at grain boundaries, with Cr diffusion being faster than Ni in the bulk but slower at the grain boundaries due to high cohesive energy clusters of Cr. Grain boundary migration is also temperature dependent and influenced by alloying elements.
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