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Surface energy and its anisotropy for fcc metals: modified embedded atom method study

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Abstract

The surface energies with 40 different indices are investigated for the fcc metals Ag, Al, Au, Cu, Ir, Ni, Pd, Pt, and Rh by using the modified embedded atom method (MEAM) potentials suggested by ** et al. (Appl Phys A120:189, 2015). For every fcc metal, Es(210) and Es(111) are evaluated as the highest and lowest values among the surface energies, respectively. The results demonstrate that Es(111) < Es(100) < Es(110) for three low-index surface energies, which coincide with other available calculation and experiment results. Through applying the surface energy minimization, the most favorable texture on the fcc metal film can be estimated as (111). A surface with the index of (hkl) has a surface energy that increases almost linearly with the increment of the angle between the surface and (111) plane. As a result, if the surface energies for several surfaces as well as (111) surface have already been determined, for any surface, the surface energy can be approximately evaluated from the deviation of the surface orientation from (111) plane and the given surface energies.

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Availability of data and material

All data used are transparent.

Code availability

The code was written on Matlab.R2016b.

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Authors and Affiliations

  1. Faculty of Energy Science, Kim Il Sung University, Pyongyang, Democratic People’s Republic of Korea

    Jae-Yon Pak, Ryon-Hui Kim & Hak-Son **

  2. College of Machine, Kim Chaek University of Technology, Pyongyang, Democratic People’s Republic of Korea

    In-Song Kim

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  1. Jae-Yon Pak
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  2. In-Song Kim
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  3. Ryon-Hui Kim
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  4. Hak-Son **
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Contributions

J-YP and I-SK derived the formula and wrote the code together. R-HK and H-SJ worked together to process the calculation results.

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Correspondence to Hak-Son **.

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Pak, JY., Kim, IS., Kim, RH. et al. Surface energy and its anisotropy for fcc metals: modified embedded atom method study. Indian J Phys 97, 1981–1988 (2023). https://doi.org/10.1007/s12648-022-02514-w

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