Abstract

The fitting procedure of bond order potentials for Al is presented. The shear constants are well reproduced by fitting the exponent of hopping integrals. The models fitted only to the shear constants show a good estimation of three unrelaxed principal surface energies, but a poor estimation of the monovacancy formation energy. At the lower moment order, further fitting to the cohesive energy gives a more accurate description for the defect energies.

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