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A simple analytical EAM model for bcc metals including Cr and its application

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Zeitschrift für Physik B Condensed Matter

Abstract

An analytical embedded atom method (EAM) model, which can treat bcc transition metal Chromium, has been developed. In this model, a new potential was presented, and a modified term has been introduced to fit the negative Cauchy pressure P c=(C12-C44)/2 for element Cr. The new model was applied to calculating the thermodynamic properties of binary alloys of all bcc transition metals V, Nb, Ta, Cr, Mo, W and Fe. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the experimental data available, the results from the first-principles calculations, and the results of thermodynamic calculations.

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Authors and Affiliations

  1. Department of Physics, Hunan University, Changsha, 410082, People’s Republic of China

    Ouyang Yifang & Zhang Bangwei

  2. International Centre for Materials Physics, Academia Sinica, Shenyang, 110015, People’s Republic of China

    Zhang Bangwei

  3. Department of Chemistry and Engineering, Hunan University, Changsha, 410082, People’s Republic of China

    Liao Shuzhi

  4. Department of Materials Science and Engineering, Central South of University of Technology, Changsha, 410083, People’s Republic of China

    Ouyang Yifang & Jin Zhanpeng

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  1. Ouyang Yifang
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  2. Zhang Bangwei
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  3. Liao Shuzhi
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  4. Jin Zhanpeng
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Yifang, O., Bangwei, Z., Shuzhi, L. et al. A simple analytical EAM model for bcc metals including Cr and its application. Z. Phys. B 101, 161–168 (1996). https://doi.org/10.1007/s002570050195

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  • DOI: https://doi.org/10.1007/s002570050195

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