Fig. 2
From: A machine learning approach to model solute grain boundary segregation
Segregation DOS. a Segregation energy density of states shown for Mg (across all 38 boundaries with equal weight). Bars show a histogram of calculated data, while solid and dashed lines show smoothed distributions of calculated segregation energies and those predicted by machine learning, respectively. Using the same energy axis, red lines show the White-Coghlan site occupation value for three temperatures. Dashed black lines show the corresponding half-occupancy “Fermi level” at these temperatures with a bulk solute concentration of 0.2%at. b, c show the density of states for all solutes at the symmetric (310) and disordered s boundaries, respectively
