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: dntog@ukr.net, isi-ofhp@mail.ru ORCID 0000-0001-6413-4823

THE ROLE OF TAKING INTO ACCOUNT THE INTERATOMIC INTERACTION IN PREDICTING THE COMPLEX OF
STRUCTURALLY-SENSITIVE PROPERTIES OF STEELS AND ALLOYS FOR SPECIAL PURPOSE

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
costs.
362
«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
Reference
1. Naydek V. L., Melnik S. G., Verkhovlyuk A. M. Clusters – structural
components of metal melts. Metal and Casting of Ukraine .- 2015. – № 7.-
P. 21-24.
2. Skrebtsov A.M. Liquid metals. Their properties and structure. Textbook for
universities. Mariupol, Perm State Technical University, 2010. – 252.
3. Proceedings of the XIII Russian Conference “The structure and properties
of metallic and slag melts”. T.1. Ekaterinburg: Ural Branch of RAS, 2011. –
218 p.
4. Hansen J.P., MacDonald I.R., Theory of Simple Liquids, Academic Press,
London, 1986.
5. The structure of metallic liquids: Tutorial. L.A. Zhukov. Ekaterinburg:
USTU-UPI, 2002. 46 p.
6. Vikhlevshchuk V.A., Kharakhulakh V.S., Brodsky S.S. Ladle steel finishing:
– Dnepropetrovsk: System technologies, 2000 – 190 p.
7. Ladyanov V. I., Novokhatsky I. A., S. V. Logunov. Estimation of the lifetime
of clusters in liquid metals. Izv. Academy of Sciences of the USSR. Metals.
1995. № 2. From 13-22.
8. Prikhodko E. V. Efficiency of complex alloying of steels and alloys. – K .:
Naukova Dumka, 1995. – 292s.
9. Snihura I.R., Togobitskaya D.N. Prediction of melting and crystallization
temperatures of nickel-chrome steels. – Modern problems and metals.
Наукові вісті. No. 21, Vol. 1, 2018 – p. 67 – 72.
10. Togobitskaya D.N., Snihura I.R. Prediction of liquidus temperatures and
solidus of metal melts based on the concept of targeted chemical bonding.
International scientific and technical journal “Automated technologies and
production” Magnitogorsk. – № 3, 2016. – p. 64 – 69.
11. Togobitskaya D.N., Golovko L.A., Snihura I.R. Investigation of the
microinhomogeneity of one-component metal melts in the region of the
above-likvidusnyh temperatures based on the interatomic interaction
parameters. – VII International Scientific and Practical Conference
“Science in the modern world.” – Kiev, March 19, 2016 – p. 37 – 44
12. Togobitskaya D.N., Snihura I.R., Stepanenko D.A. Prediction of liquidus
temperatures in aluminum and magnesium alloys based on the concept of a
directed chemical bond. – Materials of the XVth All-Ukrainian Competitive
Scientific Practical Conference of the Special Metalurgy: Vchora, CGN,
Tomorrow. – 2017, p. 1139 – 1148.37 – 44
363
«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
13. Computer simulation of the melting and crystallization temperatures of
special-purpose alloys. [D.N.Togobitskaya, M.Shaper, O.Gridin,
I.R.Snihura]. – Steel. № 6. 2018 – p. 11 – 15.
14. Gaiduk S.V., Kononov V.V., Kurenkova V.V. Obtaining predictive
mathematical models for calculating the thermodynamic parameters of
casting high-temperature nickel alloys. SEM-2015. – № 5. – p. 31-37.
15. Petrushin N.V., Svetlov I.L. Physico-chemical and structural characteristics
of high-temperature nickel alloys. Metals. 2001. No. 2. C 63 – 73.
16. Kablov, E.N., Golubovsky, E.R. Heat resistance of nickel alloys. M .:
Mashinostroenie, 1998. 464 p.
17. Kablov E.N., Petrushin N.V., Svetlov I.L., Demonis I.M. Heat-resistant
nickel alloys for advanced aviation GTE // Light alloy technology. 2007. №
2. P. 6 – 16.
18. K. D. Carlson & C. Beckermann (2012) Determination of solid fraction–
temperature relation and latent heat using full scale casting experiments:
application to corrosion resistant steels and nickel based alloys.
International Journal of Cast Metals Research, 25:2, 75-92, DOI:
10.1179/1743133611Y.0000000023