PNASJClub
Diffusion in a d-dimensional rough potential.
Proceedings of the National Academy of Sciences · · Journal Article
Jeffries, Mendoza Reyes + more
Abstract ↗AI summary
The abstract is read at the publisher; the summary is JClub's.
Roughness in a noisy solid solution in d dimensions always decreases diffusivity, and any diffusivity increase from alloying elements must come from lower average activation energy rather than noise.
- Why it matters: Predicting diffusion in solids is needed to model microstructure evolution out of equilibrium, but atomistic approaches are often too computationally expensive.
- What they did: The authors build an analytical diffusivity model in arbitrary d using mean first passage time analysis, then validate it by comparing with kinetic Monte Carlo simulations.
- The result: The analytical predictions match kinetic Monte Carlo quantitatively for d ≤ 5 and show excellent quantitative agreement for d ≤ 3, supporting the model’s dimensional generalization.
The findingWhy it mattersWhat they didThe result
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