Simulating diffusion using 'kinosons' and machine learning

Researchers have recast diffusion in multicomponent alloys as a sum of individual contributions, called 'kinosons.' Using machine learning to compute the statistical distribution of the individual contributions, they were able to model the alloy and calculate its diffusivity orders of magnitude more efficiently than computing whole trajectories.

  Updates   May 15, 2024   0   39  Add to Reading List
Simulating diffusion using 'kinosons' and machine learning

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Researchers have recast diffusion in multicomponent alloys as a sum of individual contributions, called 'kinosons.' Using machine learning to compute the statistical distribution of the individual contributions, they were able to model the alloy and calculate its diffusivity orders of magnitude more efficiently than computing whole trajectories.
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