Four empirical potentials for alumina were benchmarked from molecules to 12 nm nanoparticles; the Alvarez and Streitz potentials best match DFT and reproduce experimentally observed amorphous-to-gamma-to-alpha phase transitions.
Navrotsky ,\ 10.1186/1467-4866-4-34 journal journal Geochem
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Comparison of aluminum oxide empirical potentials from cluster to nanoparticle
Four empirical potentials for alumina were benchmarked from molecules to 12 nm nanoparticles; the Alvarez and Streitz potentials best match DFT and reproduce experimentally observed amorphous-to-gamma-to-alpha phase transitions.