The EDDP machine-learned potential for lead predicts the observed FCC-HCP phase transition at ~15 GPa, unlike EAM and MEAM models, when paired with nested sampling.
The predicted melting tempera- tures are at least200K higher across the entire studied range than those of the other two models, and the HCP structure is almost entirely absent
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Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead
The EDDP machine-learned potential for lead predicts the observed FCC-HCP phase transition at ~15 GPa, unlike EAM and MEAM models, when paired with nested sampling.