Cite this article:
Zhang Jian-Min, Ma Fei, Xu Ke-Wei. Calculation of the surface energy of fcc metals with modified embedded-atom methodJ. Chin. Phys. B, 2004, 13(7): 1082-1090.
| Zhang Jian-Min, Ma Fei, Xu Ke-Wei. Calculation of the surface energy of fcc metals with modified embedded-atom methodJ. Chin. Phys. B, 2004, 13(7): 1082-1090. |
Calculation of the surface energy of fcc metals with modified embedded-atom method
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Abstract
The surface energies for 38 surfaces of fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by using the modified embedded-atom method. The results show that, for Cu, Ag, Ni, Al, Pb and Ir, the average values of the surface energies are very close to the polycrystalline experimental data. For all fcc metals, as predicted, the close-packed (111) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (hkl) and (111). This can be used to estimate the relative values of the surface energy. -
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