FactSage thermochemical software and databases, 2010–2016

FactSage thermochemical software and databases, 2010–2016

2016 | Christopher W. Bale, E. Bélisle, Patrice Chartrand, Sergei Decterov, G. Eriksson, Aïmen E. Gheribi, K. Hack, I. H. Jung, Y. B. Kang, J. Melançon, Arthur Pelton, S. Petersen, Christian Robelin, J. Sangster, P. Spencer, & M. A. Van Ende
The paper provides a comprehensive overview of the developments in the FactSage thermochemical software and databases from 2010 to 2016. FactSage, initially developed in 1976, has evolved into a comprehensive package used in various fields such as metallurgy, corrosion, ceramics, and environmental studies. The software enables users to perform a wide range of thermochemical calculations and generate tables, graphs, and figures. Key developments include the expansion of databases, particularly in the areas of solution and compound databases, and the introduction of new modules for calculating and manipulating phase diagrams. Notable additions include databases for oxycarbonitride systems, nitrate-based fertilizers, and aluminum alloys. The paper also highlights the FactOptimal module, which uses nonlinear optimization to compute optimal conditions for material and process design. Examples of phase diagrams, such as gas polythermal projections, enthalpy-composition diagrams, reciprocal diagrams, and volume diagrams, are provided to illustrate the software's capabilities. The paper concludes by discussing current developments and future enhancements, including the ability to calculate Scheil–Gulliver phase diagrams.The paper provides a comprehensive overview of the developments in the FactSage thermochemical software and databases from 2010 to 2016. FactSage, initially developed in 1976, has evolved into a comprehensive package used in various fields such as metallurgy, corrosion, ceramics, and environmental studies. The software enables users to perform a wide range of thermochemical calculations and generate tables, graphs, and figures. Key developments include the expansion of databases, particularly in the areas of solution and compound databases, and the introduction of new modules for calculating and manipulating phase diagrams. Notable additions include databases for oxycarbonitride systems, nitrate-based fertilizers, and aluminum alloys. The paper also highlights the FactOptimal module, which uses nonlinear optimization to compute optimal conditions for material and process design. Examples of phase diagrams, such as gas polythermal projections, enthalpy-composition diagrams, reciprocal diagrams, and volume diagrams, are provided to illustrate the software's capabilities. The paper concludes by discussing current developments and future enhancements, including the ability to calculate Scheil–Gulliver phase diagrams.
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