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
2026 2representative citing papers
Universal MLIPs serve as configuration generators whose DFT-relabeled subsamples enable one-shot or iterative training of material-specific MLIPs that recover accurate reactive energy profiles with 600-2000 DFT calculations.
citing papers explorer
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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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Universal Interatomic Potentials as Configuration-Space Generators for One-Shot and Iterative Fine-Tuning of Ab Initio-Accurate Material-Specific Models
Universal MLIPs serve as configuration generators whose DFT-relabeled subsamples enable one-shot or iterative training of material-specific MLIPs that recover accurate reactive energy profiles with 600-2000 DFT calculations.