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

Jian Min Zhang; Fei Ma; Ke Wei Xu

doi:10.1016/j.apsusc.2003.09.050

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

Jian Min Zhang
, Fei Ma
, Ke Wei Xu

Shaanxi Normal University
Xi'an Jiaotong University

Research output: Contribution to journal › Article › peer-review

290 Scopus citations

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 use of the modified embedded-atom method. The results show that, 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.

Original language	English
Pages (from-to)	34-42
Number of pages	9
Journal	Applied Surface Science
Volume	229
Issue number	1-4
DOIs	https://doi.org/10.1016/j.apsusc.2003.09.050
State	Published - 15 May 2004
Externally published	Yes

Keywords

Calculation
FCC metals
Modified embedded-atom method
Surface energy

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10.1016/j.apsusc.2003.09.050

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title = "Calculation of the surface energy of FCC metals with modified embedded-atom method",

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 use of the modified embedded-atom method. The results show that, 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.",

keywords = "Calculation, FCC metals, Modified embedded-atom method, Surface energy",

author = "Zhang, \{Jian Min\} and Fei Ma and Xu, \{Ke Wei\}",

year = "2004",

month = may,

day = "15",

doi = "10.1016/j.apsusc.2003.09.050",

language = "英语",

volume = "229",

pages = "34--42",

journal = "Applied Surface Science",

issn = "0169-4332",

publisher = "Elsevier B.V.",

number = "1-4",

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TY - JOUR

T1 - Calculation of the surface energy of FCC metals with modified embedded-atom method

AU - Zhang, Jian Min

AU - Ma, Fei

AU - Xu, Ke Wei

PY - 2004/5/15

Y1 - 2004/5/15

N2 - The surface energies for 38 surfaces of FCC metals Cu, Ag, Au, 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 (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.

AB - The surface energies for 38 surfaces of FCC metals Cu, Ag, Au, 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 (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.

KW - Calculation

KW - FCC metals

KW - Modified embedded-atom method

KW - Surface energy

UR - https://www.scopus.com/pages/publications/2342446566

U2 - 10.1016/j.apsusc.2003.09.050

DO - 10.1016/j.apsusc.2003.09.050

M3 - 文章

AN - SCOPUS:2342446566

SN - 0169-4332

VL - 229

SP - 34

EP - 42

JO - Applied Surface Science

JF - Applied Surface Science

IS - 1-4

ER -

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

Abstract

Keywords

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