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Effect of alloying elements and impurities on interface properties in aluminum alloys

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Abstract

The segregation energies of B, Si, P, Cr, Ni, Zr, and Mg on the special grain boundary (GB) Σ5 (210)[100] and on the open (210) surface of aluminum have been determined and the GB splitting energy has been calculated by the density functional theory methods. It has been shown that all elements listed above enrich the GB; for B, Si, P, Cr, Ni and Zr, Mg, interstitial and substitutional sites are preferred, respectively. The effect of alloying elements on the GB binding has been estimated using the parameter η equal to the change in the fracture work of the aluminum GB when adding alloying element atoms. From the viewpoint of strengthening the GB binding forces, Zr, Cr, Ni, and Mg are efficient, Si and B are neutral and phosphorus weakens GBs.

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Authors and Affiliations

  1. National University of Science and Technology “MISiS,”, Leninskii pr. 4, Moscow, 119049, Russia

    V. I. Razumovskiy & Yu. Kh. Vekilov

  2. Royal Institute of Technology, Valhallavägen 79, Stockholm, SE-100 44, Sweden

    V. I. Razumovskiy & A. V. Ruban

  3. Research, Development and Production Corporation “Kompozit,”, ul. Pionerskaya 4, Korolev, Moscow oblast, 141070, Russia

    I. M. Razumovskii, V. N. Butrim & V. N. Mironenko

Authors
  1. V. I. Razumovskiy
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  2. Yu. Kh. Vekilov
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  3. I. M. Razumovskii
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  4. A. V. Ruban
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  5. V. N. Butrim
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  6. V. N. Mironenko
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Correspondence to V. I. Razumovskiy.

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Original Russian Text © V.I. Razumovskiy, Yu.Kh. Vekilov, I.M. Razumovskii, A.V. Ruban, V.N. Butrim, V.N. Mironenko, 2011, published in Fizika Tverdogo Tela, 2011, Vol. 53, No. 11, pp. 2081–2085.

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Razumovskiy, V.I., Vekilov, Y.K., Razumovskii, I.M. et al. Effect of alloying elements and impurities on interface properties in aluminum alloys. Phys. Solid State 53, 2189–2193 (2011). https://doi.org/10.1134/S1063783411110266

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  • DOI: https://doi.org/10.1134/S1063783411110266

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