A SNAP machine-learned potential for niobium reproduces the DFT-predicted ⟨111⟩ self-interstitial ground state and yields that orientation in 5 keV collision cascades, while EAM and FS potentials favor ⟨110⟩.
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A Robust Machine Learned Interatomic Potential for Nb: Collision Cascade Simulations with accurate Defect Configurations
A SNAP machine-learned potential for niobium reproduces the DFT-predicted ⟨111⟩ self-interstitial ground state and yields that orientation in 5 keV collision cascades, while EAM and FS potentials favor ⟨110⟩.