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Evaluation of surface energy and its anisotropy for bcc transition metals by modified embedded atom method

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Abstract

The surface energy and its anisotropy for the body-centered cubic (bcc) transition metals Cr, Fe, Mo, Nb, Ta, V, and W were evaluated by using the modified embedded-atom method proposed by Jin et al. (Appl Phys A 120: 189, 2015). The calculation results show that among all the surface energies for each bcc transition metal Es(110) and Es(111) are the lowest and highest, respectively. Our calculation indicates that the order of the three low-index surface energies is Es(110) < Es(100) < Es(111), which is consistent with the experimental result. The surface energy corresponding to the (hkl) plane surface increases almost linearly as the including angle between the surface and the (110) plane increases. The present results provide the theoretical data for significant insight into the surface energy of the bcc transition metals.

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Acknowledgements

This work was supported by the National Key Research and Development Program of China (2020YFC1909800).

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Authors and Affiliations

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

    Hak-Son Jin

  2. Faculty of Metal Engineering, Kim Chaek University of Technology, Pyongyang, Democratic People’s Republic of Korea

    Kwang-Song Ri

  3. Faculty of Geological Engineering, Chongjin University of Mineral and Metal, Chongjin, Democratic People’s Republic of Korea

    Yong-Min Choe

  4. Institute of Resources and Environment, School of Metallurgy, Northeastern University, Shenyang, 110819, China

    He Yang

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  1. Hak-Son Jin
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  2. Kwang-Song Ri
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  3. Yong-Min Choe
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  4. He Yang
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Correspondence to Hak-Son Jin.

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Jin, HS., Ri, KS., Choe, YM. et al. Evaluation of surface energy and its anisotropy for bcc transition metals by modified embedded atom method. Indian J Phys 96, 3099–3104 (2022). https://doi.org/10.1007/s12648-021-02237-4

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  • DOI: https://doi.org/10.1007/s12648-021-02237-4

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