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Saddle-point energies and Monte Carlo simulation of the long-range order relaxation in CoPt

  • Solid and Condensed State Physics
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Abstract.

We present atomic-scale computer simulations in equiatomic L10-CoPt where Molecular Dynamics and Monte Carlo techniques have both been applied to study the vacancy-atom exchange and kinetics relaxation. The atomic potential is determined using a Tight-Binding formalism within the Second-Moment Approximation. It is used to evaluate the different saddle-point energies involved in a vacancy-atom exchange between nearest-neighbour sites. The potential and the saddle-point energies have been used to simulate the relaxation of the long-range order in CoPt using a Monte Carlo technique. A vacancy migration energy of 0.73±0.15 eV and an order-disorder transition temperature of 935 K have been found.

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Authors and Affiliations

  1. Universität Osnabrück, Fachbereich Physik, 49069, Osnabrück, Germany

    M. Allalen

  2. LPCQ, University M. Mammeri, 15000, Tizi-Ouzou, Algeria

    M. Allalen & H. Bouzar

  3. Physik Department E13/FRM II, TU München, 85747, Garching, Germany

    T. Mehaddene

Authors
  1. M. Allalen
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  2. H. Bouzar
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  3. T. Mehaddene
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Correspondence to M. Allalen.

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Allalen, M., Bouzar, H. & Mehaddene, T. Saddle-point energies and Monte Carlo simulation of the long-range order relaxation in CoPt. Eur. Phys. J. B 45, 443–448 (2005). https://doi.org/10.1140/epjb/e2005-00206-4

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