The thermodynamic models with optimized parameters for low-order (binary and ternary) subsystems can be used to provide good estimates for unexplored phase In the thermodynamic optimization (modeling) based on the CALPHAD method, all available thermodynamic and phase equilibrium data for the system are critically and simultaneously evaluated in order to obtain one self-consistent set of model equations for the Gibbs energies which best reproduce the data for all phases as functions of temperature and composition.
The CALPHAD methodology was introduced in the 1960s by Larry Kaufman and the essence is the optimization of the Gibbs energy functions to reproduce the known phase diagrams, and utilize it to make the prediction of unknown phase equilibria.
Factsage database software#
All thermodynamic software packages include thermodynamic databases, which are developed based on the so-called CALculation of PHAse Diagram (CALPHAD) methodology. NOWADAYS, thermodynamic calculations using various commercial software are very popular in materials science and engineering fields. The Minerals, Metals & Materials Society and ASM International 2020 Lastly, the most recent and future application of the FactSage thermodynamic databases to virtual steelmaking process simulations for the so-called industry 4.0 (smart factory) is highlighted. Application examples of FactSage thermodynamics databases to steel processing from the iron ore sintering process to the final metallic coating process are presented. The current databases and on-going directions of the thermodynamic database development are discussed.
In this study, the FactSage software, which is the most frequently accessed software in high temperature materials processing, is briefly overviewed. Several commercial computational thermodynamic software equipped with comprehensive and accurate thermodynamic databases and fast Gibbs energy minimization routine are widely used in the design of new materials and the optimization of materials processing. Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation IN-HO JUNG and MARIE-ALINE VAN ENDE The CALPHAD-type computational thermodynamic databases have been developed since 1970.
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