MLIP simulations show that Mn promotes incoherent interfaces with the G-phase leading to film-like GB precipitates, while Ni2Si forms irregular shapes due to coherent interfaces that develop repulsive regions.
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cond-mat.mtrl-sci 2years
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This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.
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Precipitate phase selection and grain boundary morphology in Cu-Ni-Si-Mn alloys: A machine-learning interatomic potential study
MLIP simulations show that Mn promotes incoherent interfaces with the G-phase leading to film-like GB precipitates, while Ni2Si forms irregular shapes due to coherent interfaces that develop repulsive regions.
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Six Open Questions in Machine-Learned Interatomic Potential Foundation Models
This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.