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Molecular-Dynamics Simulation of the Influence of Silicon on the Ordering of Carbon in the Martensite Lattice

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Abstract

The results of computer simulation of the influence of silicon impurities on the degree of tetragonality and on the interaction of carbon atoms in the body-centered cubic (BCC) lattice of iron by the molecular-dynamics method are reported. The influence of silicon on the martensite-lattice parameters has been established, as well as the dependence of the deformation interaction parameter λ0 determining the critical temperature of the BCC–BCT (body-centered tetragonal) transition on the silicon concentration, is calculated on the basis of the Zener–Khachaturyan theory of ordering. It is found that the λ0 parameter decreases by 18% from 5.2 to 4.2 eV/atom upon an increase in the silicon content up to 10 at %.

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Authors and Affiliations

  1. South Ural State University, Chelyabinsk, 454080, Russia

    P. V. Chirkov, A. A. Mirzoev & D. A. Mirzaev

Authors
  1. P. V. Chirkov
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  2. A. A. Mirzoev
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  3. D. A. Mirzaev
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Correspondence to P. V. Chirkov.

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Original Russian Text © P.V. Chirkov, A.A. Mirzoev, D.A. Mirzaev, 2018, published in Pis’ma v Zhurnal Tekhnicheskoi Fiziki, 2018, Vol. 44, No. 3, pp. 9–16.

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Chirkov, P.V., Mirzoev, A.A. & Mirzaev, D.A. Molecular-Dynamics Simulation of the Influence of Silicon on the Ordering of Carbon in the Martensite Lattice. Tech. Phys. Lett. 44, 90–93 (2018). https://doi.org/10.1134/S1063785018020050

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  • DOI: https://doi.org/10.1134/S1063785018020050

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