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A method for coupling the phase-field model based on a grand-potential formalism to thermodynamic databases

Choudhury, Abhik and Kellner, Michael and Nestler, Britta (2015) A method for coupling the phase-field model based on a grand-potential formalism to thermodynamic databases. In: CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 19 (5). pp. 287-300.

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Official URL: http://dx.doi.org/10.1016/j.cossms.2015.03.003


In this paper we derive an approach for the effective utilization of thermodynamic data in phase-field simulations. While the most widely used methodology for multi-component alloys is following the work by Eiken et al. (2006), wherein, an extrapolative scheme is utilized in conjunction with the TQ interface for deriving the driving force for phase transformation, a corresponding simplistic method based on the formulation of a parabolic free-energy model incorporating all the thermodynamics has been laid out for binary alloys in the work by Folch and Plapp (2005). In the following, we extend this latter approach for multi-component alloys in the framework of the grand-potential formalism. The coupling is applied for the case of the binary eutectic solidification in the Cr-Ni alloy and two-phase solidification in the ternary eutectic alloy (Al-Cr-Ni). A thermodynamic justification entails the basis of the formulation and places it in context of the bigger picture of Integrated Computational Materials Engineering. (C) 2015 Elsevier Ltd. All rights reserved.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the PERGAMON-ELSEVIER SCIENCE LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
Keywords: Thermodynamics; CALPHAD; Phase-field; Solidification; Eutectic
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 30 Oct 2015 06:59
Last Modified: 30 Oct 2015 06:59
URI: http://eprints.iisc.ac.in/id/eprint/52635

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