Thermodynamic Properties of Iron Melts with Titanium, Zirconium, and Hafnium

Agraval, P. G.; Dreval, Liya; Турчанин, М. А.

doi:10.1007/s11106-017-9858-8

Cited by 16 publications

(3 citation statements)

References 21 publications

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“…In our previous papers concerning the binary systems, [108][109][110] an empirical rule was proposed to predict the composition range for binary metallic glasses production.…”

Section: Short Chemical Ordering In Liquid Quaternarymentioning

confidence: 99%

Thermodynamics and Chemical Ordering of Liquid Cu-Hf-Ni-Ti-Zr Alloys

Турчанин

Agraval

Dreval

et al. 2021

J. Phase Equilib. Diffus.

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A database to calculate the thermodynamic properties of the liquid quinary Cu-Hf-Ni-Ti-Zr glass forming alloys is developed in the framework of the CALPHAD method. The thermodynamic properties of liquid alloys are modeled using the associate solution model. The thermodynamic properties of three-, four-and five-component liquid alloys of the Cu-Hf-Ni-Ti-Zr system are calculated for a wide composition range. Particular attention is paid to alloys of equiatomic composition, including high-entropy CuHfNiTiZr alloy. The interplay of the ideal and excess contributions to the Gibbs energy of mixing for multicomponent liquid alloys is analyzed, and their role in the thermodynamic stability of the liquid phase is discussed. The amorphization ranges in quaternary and quinary systems are predicted by considering a total molar fraction of associates in liquid alloys. It is shown that equiatomic CuHfNiTiZr liquid falls into the predicted amorphization space. The predicted amorphization ranges for quaternary and quinary systems agree well with available experimental data.

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“…In our previous papers concerning the binary systems, [108][109][110] an empirical rule was proposed to predict the composition range for binary metallic glasses production.…”

Section: Short Chemical Ordering In Liquid Quaternarymentioning

confidence: 99%

Thermodynamics and Chemical Ordering of Liquid Cu-Hf-Ni-Ti-Zr Alloys

Турчанин

Agraval

Dreval

et al. 2021

J. Phase Equilib. Diffus.

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“…The theoretical investigations thus showed that optimized coefficients not only explained G XS M but also have successfully reproduced activity of the concerned systems thereby establishing the fruitfulness of optimized parameters. The computed values of G XS M and a were also compared with other available literature data [27,30,[55][56][57][58]. The partial excess Gibbs free energy of individual components of sub-binary systems were computed using the coefficients of R-K polynomial (A ij ν ) from table 1 for the concerned sub-binary systems in equations ( 1)-( 3).…”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

Prediction of thermodynamic and surface properties of ternary Ti–Si–Fe liquid alloy

Mehta

Koirala

Yadav

et al. 2020

Modelling Simul. Mater. Sci. Eng.

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Thermodynamic and surface properties of the ternary Ti–Si–Fe liquid alloy have been assessed at temperatures 1873 K, 1973 K, 2073 K and 2173 K. For this purpose, the optimized linear temperature dependent coefficients of Redlich–Kister (R–K) polynomials for excess free energy of mixing for sub-binary systems Ti–Si, Fe–Si and Ti–Fe have been computed considering available experimental and literature data. The thermodynamic properties of ternary liquid alloy, such as activity have been studied using general solution model (GSM) and excess free energy of mixing has been studied using GSM, Kohler and Toop models. In surface properties, surface concentration has been computed using Butler’s equation and surface tension of the liquid alloy has been studied using all the four above mentioned models feeding the database of liquid Fe–Si, Si–Ti and Ti–Fe sub-binary systems. The values of surface tension computed using GSM and Toop model are in well agreement with each other at all concentrations. Moreover, the computed values of excess free energy of mixing and surface tension decrease at elevated temperatures from all corners and at all considered cross-sections indicating the decrease in ordering tendency of the alloy.

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“…In present work this database is extended for the sixcomponent glass-forming Cu-Fe-Ni-Ti-Zr-Hf system. This extension required that information on the thermodynamic properties of phases in the binary Cu-Fe [2], Fe-Ni [3], Fe-(Ti,Zr,Hf) [4,5] and ternary Cu-Fe-Ni [3], Cu-Fe-(Ti,Zr,Hf) [5,6], Cu-Ti-Hf [7], Fe-Ni-(Ti,Zr,Hf) [8], Fe-Ti-Zr [9], Fe-Ti-Hf systems be taken into account in the database.…”

Section: Introductionmentioning

confidence: 99%

Application of CALPHAD Method for Predicting of Concentration Range of Amorphization of Transition Metals Melts

Agraval,

Turchanin,

Dreval

et al. 2024

DDF

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Early, the efficiency of the CALPHAD (Calculation of Phase Diagrams) method to a targeted search for compositions of amorphous alloys has been shown. The method for predicting the ranges of amorphization is based on the calculation of diagrams of metastable phase transformations between supercooled melts and boundary solid solutions on the base of pure elements. In this work, the model parameters for thermodynamic properties of liquid alloys and boundary solid solutions were summarized in a self-consistent database for the multicomponent Cu–Fe–Ni–Ti–Zr–Hf system. Such database for the multicomponent system is based on a common set of model parameters for boundary binary and ternary systems. This database was used to predict the concentration ranges of amorphization for the quinary Cu–Fe–Ni–Ti–Zr, Cu–Fe–Ni–Ti–Hf and boundary ternary and quaternary systems. The results of calculations are presented along sections in quaternary and quinary systems. The ternary and quaternary equiatomic alloys along with high entropy CuFeNiTiZr and CuFeNiTiHf alloys are trapped into prognosed composition ranges of amorphization. Predicted composition space of amorphization for melts of the Fe–Ni–Ti–Zr system is shown on the concentration tetrahedron. Based on the obtained results, a new criterion for predicting the concentration regions of amorphization of multicomponent melts is proposed, according to which the presence of a sufficient content of metals that are electron acceptors and donors is a chemical factor that affects the thermodynamic stability of melts and determines their glass-forming ability. For multicomponent melts of the Cu–Fe–Ni–Ti–Zr–Hf system the concentration ranges of amorphization correspond to the simultaneous fulfillment of the conditions xFe + xNi + xCu > 0.25 and xTi + xZr + xHf > 0.15, where Fe, Ni, and Cu are electron acceptors and Ti, Zr, and Hf are electron donors.

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Thermodynamic Properties of Iron Melts with Titanium, Zirconium, and Hafnium

Cited by 16 publications

References 21 publications

Thermodynamics and Chemical Ordering of Liquid Cu-Hf-Ni-Ti-Zr Alloys

Thermodynamics and Chemical Ordering of Liquid Cu-Hf-Ni-Ti-Zr Alloys

Prediction of thermodynamic and surface properties of ternary Ti–Si–Fe liquid alloy

Application of CALPHAD Method for Predicting of Concentration Range of Amorphization of Transition Metals Melts

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