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 %.

About the authors

P. V. Chirkov

South Ural State University

Author for correspondence.
Email: p.chirkow@gmail.com
Russian Federation, Chelyabinsk, 454080

A. A. Mirzoev

South Ural State University

Email: p.chirkow@gmail.com
Russian Federation, Chelyabinsk, 454080

D. A. Mirzaev

South Ural State University

Email: p.chirkow@gmail.com
Russian Federation, Chelyabinsk, 454080

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