Data-driven optimal closures for mean-cluster models: Beyond the classical pair approximation

Avesta Ahmadi1, Jamie M Foster2, Bartosz Protas3

  • 1School of Computational Science & Engineering, McMaster University, Hamilton, Ontario, Canada L8S 4L8.

Physical Review. E
|September 16, 2022
PubMed
Summary

This study introduces a data-driven "sparse approximation" for modeling lattice dynamics, improving accuracy and interpretability over traditional methods. This new approach offers a solvable linear model for cluster concentrations in materials like Li-ion battery cathodes.

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