Karlsruhe Institute of Technology, Institute for Applied Materials (IAM-AWP)
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen
Germany
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DOI:
10.7502/j.issn.1674-3962.2015.04.05
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Abstract:
CALPHAD in combination with key experiments has been used to investigate multicomponent multiphase reactions in materials systems relevant for energy engineering. Our results for four different such systems are reviewed. Focus is laid on liquid phase sintering of SiC (LPSSiC), conversion-type Lithium batteries, TiAl-based alloys with chromium additions and zirconia-base thermal barrier coatings, respectively. Typically, findings from CALPHAD-type thermodynamic calculations can be used to define key experiments for further clarification of phase diagrams and thermodynamic properties. The experimental data can then be used vice versa as input for refinement of the CALPHAD models and improved assessment of model parameters. All parameters are adjusted by Thermodynamic Optimization. The datasets are then used to calculate reliable phase diagrams (isothermal sections, isopleths, volatility diagrams) and liquidus surfaces.