The augmented potential method computes grain boundary segregation spectra for 1,036 binary alloys by pairing a foundation machine learning potential at the defect with a classical potential far away.
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The Augmented Potential Method: Multiscale Modeling Toward a Spectral Defect Genome
The augmented potential method computes grain boundary segregation spectra for 1,036 binary alloys by pairing a foundation machine learning potential at the defect with a classical potential far away.