Fig. 6: Visualization of SFD featurization of Atomic Environments Exhibiting Segregation.
From: Learning grain boundary segregation behavior through fingerprinting complex atomic environments
Illustration of atomic shapes generated with Gaussian Kernel Surface method for representative a minimum, b equilibrium FCC, and c maximum Eseg sites of the 6nm Ni polycrystal with values for the two most relevant SFD features indicated. Coloring indicates relative intensity of Gaussian overlap, with each figure colored and scaled to the same reference. Plots of Gaussian Kernel Surface rendered using Mayavi82.
