ThermoCalc Application for the Assessment of Binary Alloys Non-Equilibrium Solidification

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The paper presents the possibility of application of the developed computer script which allows the assessment of non-equilibrium solidification of binary alloys in the ThermoCalc program. The script makes use of databases and calculation procedures of the POLY-3 module. A solidification model including diffusion in the solid state, developed by Wołczyński, is used to describe the non-equilibrium solidification. The model takes into account the influence of the degree of solute segregation on the solidification process by applying the so-called back-diffusion parameter. The core of the script is the iteration procedure with implemented model equation. The possibility of application of the presented calculation method is illustrated on the example of the Cr-30% Ni alloy. Computer simulations carried out with use of the developed script allow to determine the influence of the back-diffusion parameter on the course of solidification curves, solidus temperature, phase composition of the alloy and the fraction of each phase after the solidification completion, the profile of solute concentration in liquid during solidification process, the average solute concentration in solid phase at the eutectic temperature and many other quantities which are usually calculated in the ThermoCalc program.

[1] Hillert, M. (1980). Empirical Methods of Predicting and Representing Thermodynamic Properties of Ternary Solution Phases. Calphad. 4, 1-12.

[2] Andersson, J.O., Fernández-Guillermet, A., Hillert, M. Jansson, B. & Sundman, B. (1986). A compound-energy model of ordering in a phase with sites of different coordination numbers. Acta Metallurgica. 34, 437-445.

[3] Jansson, B., Schalin, M. & Sundman, B. (1993). Thermodynamic calculations made easy. Journal of Phase Equilibria. 14, 557-562.

[4] Ansara, I. (2000). Models for composition dependence. Calphad. 24, 19-40.

[5] Sundman, B. Jansson, B. & Andersson, J-O. (1985). The Thermo-Calc databank system. Calphad. 9, 153.

[6] Sundman, B. (1990). Review of alloys modelling. Anales de Fisic. Serie B. 86, 69-82.

[7] Hillert, M. (1998). Phase Equilibria, Phase Diagrams and Phase Transformations - Their Thermodynamic Basis. Cambridge University Press.

[8] Andersson, J.O., Helander, T., Hdghmd, L., Shi, P. & Sundman, B. (2002). THERMO-CALC and DICTRA, Computational Tools For Materials Science. Calphad. 26, 273-312.

[9] Hillert, M., Höglund, L. & Schalin, M. (2000). Computer Simulation of Cooling Curves for Solidification. Materials Transactions. 41, 1098-1103.

[10] Ohsasa, K. (2001). Numerical simulation of solidification for aluminum-base multicomponent alloy. Journal of Phase Equilibria. 22, 498-503.

[11] Hillert, M. & Sundman, B. (1990). Scheil reaction scheme by computer. Calphad. 14, 111-114.

[12] Zyska, A., Konopka, Z. & Łągiewka, M. (2006). Thermodynamic analysis of cast alloys by means of the ThermoCalc program. Archives of Foundry. 6, 531-536.

[13] Wróbel, M. & Burbelko, A. (2014). CALPHAD method - a modern technique of obtaining thermodynamical data. Archives of Foundry Engineering. 14, 79-84. (in Polish).

[14] Borgenstam, A., Höglund, L., Ågren, & J. Engström, A. (2000). DICTRA, a tool for simulation of diffusional transformations in alloys. Journal of Phase Equilibria. 21, 269-280.

[15] Kobayashi, S. (1988). Solute Redistribution during Solidification with Diffusion in Solid Phase. A theoretical analysis. Journal of Crystal Growth. 88, 87-96.

[16] Nastac, L. & Stefanescu, D. (1993). An analytical model for solute redistribution during solidification of planar, columnar, or equiaxed morphology. Metallurgical Transactions A. 24A, 2107-2118.

[17] Brody, H.B. & Flemings, M.C. (1966). Solute redistribution in dendritic solidification. Transactions of the Metallurgical Society of AIME. 236, 615- 624.

[18] Wołczyński, W. (2000). Back-diffusion phenomenon during the crystal growth by the Bridgman method. Modeling of Transport Phenomena in Crystal Growth. Boston: WIT Press. 19-59.

[19] Kloch, J., Billia, B., Okane, T., Umeda, T. & Wołczyński, W. (2000). Experimental Verification of the Solute Redistribution in Cellular/Dendritic Solidification of the Al-3.5Li and Fe-4.34Ni Alloys. Materials Science Forum. 329-330, 31-36.

[20] Fraś, E. (2003). Crystallization of metals. Warszawa: WNT. (in Polish).

Archives of Foundry Engineering

The Journal of Polish Academy of Sciences

Journal Information

CiteScore 2016: 0.42

SCImago Journal Rank (SJR) 2016: 0.192
Source Normalized Impact per Paper (SNIP) 2016: 0.316


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