FactSage thermochemical software and databases

Bale, C. W.; Chartrand, Patrice; Degterov, S.; Eriksson, G.; Hack, Klaus; Mahfoud, R. Ben; Melançon, J.; Pelton, Arthur D.; Petersen, Stephan

doi:10.1016/s0364-5916(02)00035-4

Cited by 1,999 publications

(1,360 citation statements)

References 15 publications

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“…For this purpose, the optimization module of FactSage 5.3 [9] was used, which makes use of the Bayesian optimization algorithm. This is a genetic algorithm, based on the estimation of a probability distribution function.…”

Section: Methodsmentioning

confidence: 99%

A miscibility gap in LiF–BeF2 and LiF–BeF2–ThF4

Meer¹,

Konings²,

Jacobs³

et al. 2005

Journal of Nuclear Materials

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LiF-BeF 2 and LiF-BeF 2 -ThF 4 are key systems for Molten Salt Reactor fuel. The liquid phase of these systems has been assessed using Redlich-Kister polynomials. The result shows a miscibility gap on the BeF 2 -rich side. This has never been proven experimentally. Nevertheless, evidence for a two liquids region is given by the fact that such a region exists in the analogous MgO-SiO 2 system. Also the ternary system LiF-BeF 2 -ZrF 4 contains such a miscibility gap in the BeF 2 corner.

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Section: Methodsmentioning

confidence: 99%

A miscibility gap in LiF–BeF2 and LiF–BeF2–ThF4

Meer¹,

Konings²,

Jacobs³

et al. 2005

Journal of Nuclear Materials

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“…In order to investigate and understand these complex phase relationships effectively, it is very useful to develop thermodynamic databases containing model parameters giving the thermodynamic properties of all phases as functions of temperature and composition. Using Gibbs free energy minimization software such as FactSage, [1,2] the automotive and aeronautical industries and their suppliers will be able to access the databases to calculate the amounts and compositions of all phases at equilibrium at any temperature and composition in multicomponent alloys, to follow the course of equilibrium or non-equilibrium cooling, to calculate corresponding heat effects, etc.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Assessment of the Al-Mn and Mg-Al-Mn Systems

Shukla

Pelton

2008

J. Phase Equilib. Diffus.

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The binary Al-Mn system has been critically evaluated based upon available phase equilibrium and thermodynamic data, and optimized model parameters have been obtained giving the Gibbs energies of all phases as functions of temperature and composition. The liquid solution has been modeled with the modified quasichemical model to account for short-range ordering. The results have been combined with those of our previous optimizations of the Al-Mg and Mg-Mn systems to evaluate and optimize the Mg-Al-Mn system. All available data for the ternary system are reproduced with only one small ternary model parameter for the liquid phase.

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“…Software package "FactSage" (version 7.0, "Thermfact/CRCT", Montreal, QC, Canada and "GTT-Technologies", Aachen, Germany) [3][4][5] www.mdpi.com/journal/metals is carried out using the "Phase Diagram" module. The "Compound" module is used to creating the individual substances base.…”

Section: Thermodynamic Modelingmentioning

confidence: 99%

Thermodynamic Reassessment of the Na-Cu and Na-K Binary Systems

Trofimov

Samoilova

Зайцева

et al. 2018

Metals

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Abstract:The Na-Cu and Na-K systems are of significant interest due to the use of liquid sodium and melt of sodium and potassium in the nuclear industry as a cooling agent in nuclear reactors. In the present work, thermodynamic modeling of phase equilibria in the Na-Cu and Na-K systems is carried out, based on the available published experimental data. This modeling was done using the "FactSage" software package (version 7.0). The set of Redlich-Kister equation parameters was obtained, which allows one to describe the dependence of Gibbs energy from composition and temperature for solutions that can be formed in the studied systems. Phase diagrams (T-x diagrams) of the investigated systems were calculated.

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FactSage thermochemical software and databases

Abstract: Ce fichier a été téléchargé à partir de PolyPublie, le dépôt institutionnel de Polytechnique MontréalThis file has been downloaded from PolyPublie, the institutional repository of Polytechnique Montréal http://publications.polymtl.ca

Cited by 1,999 publications

References 15 publications

A miscibility gap in LiF–BeF2 and LiF–BeF2–ThF4

A miscibility gap in LiF–BeF2 and LiF–BeF2–ThF4

Thermodynamic Assessment of the Al-Mn and Mg-Al-Mn Systems

Thermodynamic Reassessment of the Na-Cu and Na-K Binary Systems

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