Modeling extensive defects in metals through classical potential-guided sampling and automated configuration reconstruction
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DOI: 10.1038/s41524-025-01599-1
Abstract: Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurate modeling these extensive defects is crucial to elucidate their deformation mechanisms. However, existing machine learning interatomic potentials (MLIPs) often… read more here.
Keywords: guided sampling; sampling automated; potential guided; modeling extensive ... See more keywords