Technical Physics Letters

, Volume 44, Issue 2, pp 90–93 | Cite as

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

  • P. V. Chirkov
  • A. A. Mirzoev
  • D. A. Mirzaev


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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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • P. V. Chirkov
    • 1
  • A. A. Mirzoev
    • 1
  • D. A. Mirzaev
    • 1
  1. 1.South Ural State UniversityChelyabinskRussia

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