Abstract
In this work the surface energies of Al with different miller indices were calculated with an analytic long-range interaction embedded atom potential. The vacancy formation and migration energies of surface for Al (100), (110) and (111) planes were also calculated. The results show that the close-packed (111) surface has the lowest surface energy and the (110) surface has the largest surface energy. There is a significant difference among the vacancy formation energies between the different surfaces. The vacancy formation energy of the (111) surface is the highest, while that of the (110) surface is the lowest. This is consistent with the results of other theories. The Al self-diffusion by the vacancy mechanism and adatom mechanism on the surface is easier than that in the bulk.
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