4.7 Article

Calculation of the surface energy of FCC metals with modified embedded-atom method

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APPLIED SURFACE SCIENCE
卷 229, 期 1-4, 页码 34-42

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ELSEVIER SCIENCE BV
DOI: 10.1016/j.apsusc.2003.09.050

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FCC metals; surface energy; calculation; modified embedded-atom method

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The surface energies for 38 surfaces of FCC metals Cu, Ag, An, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by use of the modified embedded-atom method. The results show that, for all FCC metals, as predicted, the close-packed (1 1 1) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (h k l) and (1 1 1). This can be used to estimate the relative values of the surface energy. (C) 2003 Published by Elsevier B.V.

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