• Atomic displacements in dilute alloys of Cr, Nb and Mo

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    • Keywords


      Strain field; dilute alloys; Kanzaki method

    • Abstract


      Kanzaki lattice static method is used to calculate the atomic displacements due to substitutional impurities in 3d (Cr) and 4d (Nb, Mo) metals. Wills and Harrison interatomic potential is used to calculate dynamical matrix and the impurity-induced forces up to second nearest neighbors. The calculated atomic displacements for 3d, 4d and 5d impurities in Cr (V, Mn, Fe, Ni, Nb, Mo, Ta and W), Nb (V, Cr, Mn, Fe, Zr, Mo, Ta and W) and Mo (V, Cr, Mn, Fe, Zr, Nb, Ta and W) are tabulated up to 10 NN’s. The strain field due to 3d impurities is least in Cr metal while it is larger in Nb and Mo metals. For 4d and 5d impurities the strain is larger in Cr metal than in Nb and Mo hosts. Similar trend is found for relaxation energies also.

    • Author Affiliations


      Hitesh Sharma1 S Prakash2

      1. Department of Physics, Panjab University, Chandigarh - 160 014, India
      2. Jiwaji University, Gwalior, M P - 474 011, India
    • Dates

  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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