Snigura Iryna Romanivna, Junior Researcher, Iron and Steel Institute named after Z.I. Nekrasov of the NAS of Ukraine, Academic square Starodubova, 1, Dnipro, Ukraine, 49107
Togobitskaya Daria Nikolaevna, Dr. Sci. (Engin.), Professor, Head of the Department, Iron and Steel Institute named after Z.I. Nekrasov of the NAS of Ukraine, Academican Starodubova square, 1, Dnipro, Ukraine, 49107; email:, ORCID 0000-0001-6413-4823


Abstract. The aim of the work is to identify the influence of the chemical
composition of steels and special-purpose alloys on the formation of their
physicochemical and structural-sensitive properties. This problem is solved by
mathematical modeling of the inseparable chain «composition – structure –
property» taking into account the parameters of interatomic interaction in the
melt based on the concept of a directed chemical bond. A steel melt is
considered as a chemically homogeneous system, and the state of the melts is
expressed through a set of integral parameters, the main of which are: Zy –
system charge state parameter (e); r – statistically average internuclear distance
(10-1nm); tgα is a constant for each element, which characterizes the change in
the radius of the ion as its charge changes. On the basis of experimental
information on properties and using the parameters of interatomic interaction,
computational models are proposed for predicting the properties of steels and
alloys. The forecast models took into account the parameters of microinhomogeneity of steel, which ensured a high accuracy of the operational
forecast. A comparative analysis of the results of steel melting with the
corresponding calculations based on the JMatPro software package confirmed
the effectiveness of using the interatomic interaction parameters as models. The
proposed models for determining the melting of chromium-nickel steels are
recommended for use with the content of basic elements Cr, Ni from 0 to 30%.
The research results are recommended for use in industrial environments
through the integration of the developed models in the process control system
of steelmaking, which will contribute to the directed formation of the
composition and properties of smelting products, as well as reducing energy
«Фундаментальные и прикладные проблемы черной металлургии. – 2018. – Вып.32
«Fundamental and applied problems of ferrous metallurgy». – 2018. – Collection 32
«Fundamental’nye i prikladnye problemy černoj metallurgii». – 2018. – Vypusk 32
Keywords: special steels, interatomic interaction parameters,
physicochemical properties, micro-inhomogeneity, predictive models
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International Journal of Cast Metals Research, 25:2, 75-92, DOI: