CALPHAD modeling of metastable phases and ternary compounds in Ti-Al-N system. (December 2017)

• Record Type: Journal Article
• Authors: Zhang, Yanhui; Franke, Peter; Seifert, Hans Jürgen
• Is Part Of: Calphad. Volume 59(2017)
• Page Start: 142
• Page End: 153
• Publication Date: 2017-12
• Subjects: Ti-Al-N -- Metastable coatings -- Spinodal decomposition -- PVD phase diagram; Phase diagrams -- Data processing -- Periodicals; Thermochemistry -- Data processing -- Periodicals; Diagrammes de phases -- Informatique -- Périodiques; Thermochimie -- Informatique -- Périodiques; Thermodynamica; Electronic journals; 541.363
• DOI: 10.1016/j.calphad.2017.09.006
• Languages: English
• ISSNs: 0364-5916

Abstract

Abstract: The development and evaluation of thermodynamic databases for the Ti-Al-N system is important for a wide range of engineering alloys. In this work, we resorted to the integration of ab initio thermodynamics, experiments and CALPHAD modeling for a comprehensive understanding of the metastable and the ternary phases in Ti-Al-N system. The supersaturated solutions of (Ti, Al)N with both rocksalt and wurtzite structures were well described by using the sub-regular solution model. Thereby, the formation, the phase separation and the meta-solubility of TiAlN coatings were successfully elaborated by the metastable pseudo-binary TiN-AlN section and the PVD (physical vapor deposition) phase diagram. Moreover, a number of isothermal and isopleth sections were also calculated and compared with available experiments and previous thermodynamic assessments. For the first time the ternary compound of τ 3 was corrected as Ti 4 AlN 3 in our proposed database.