Thermodynamic investigations in the Al–Fe system: Thermodynamic modeling using CALPHAD
| Autor: | Hans Jürgen Seifert, Peter Franke, Maximilian Rank |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Metals and Alloys Intermetallic Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Heat capacity 0103 physical sciences Materials Chemistry Physical and Theoretical Chemistry 0210 nano-technology CALPHAD Stoichiometry |
| Zdroj: | International Journal of Materials Research. 110:406-421 |
| ISSN: | 2195-8556 1862-5282 |
| DOI: | 10.3139/146.111765 |
| Popis: | The Al–Fe system has been modeled and optimized with the CALPHAD approach. Heat capacity values from three intermetallic phases (stoichiometric compositions: Al2Fe, Al5Fe2 and Al13Fe4) were experimentally determined and implemented into the Gibbs energy descriptions, thus the estimated heat capacity from Neumann–Kopp is substituted. From these results together with new literature values, a revised dataset of the binary Al–Fe system is presented. Based on the Compound Energy Formalism, the homogeneity range of the Al2Fe and Al5Fe2 phase is represented using a two-sublattice model. In addition, the Al8Fe5 phase has been modeled with a four-sublattice model and the number of sublattices of the Al13Fe4 phase has been changed from a three-sublattice model to a two-sublattice model. The critically assessed parameters provide a consistent thermodynamic dataset and represent most of the relevant thermochemical data as well as phase diagram data within their experimental uncertainties. |
| Databáze: | OpenAIRE |
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