Fig. 6: Ab-initio calculations for the Al alloys secondary phases. | npj Materials Degradation

Fig. 6: Ab-initio calculations for the Al alloys secondary phases.

From: Random forest incorporating ab-initio calculations for corrosion rate prediction with small sample Al alloys data

Fig. 6

a WF. Three orientations, (100), (110), and (111), were considered. The lowest WF is depicted as a line, and the remaining two surfaces are expressed in the form of summation on this line. b The phase surface energies and their adsorption energies for the Cl atom. The surface with the lowest WF of each phase is surrounded by a black circle. c Adsorption distance and charge distribution between the Cl atom and the phase surface with the lowest WF.

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