Phase Stability Predictions

The TCS Ultra-high Temperature Materials Database (TCUHTM) can be used to calculate phase equilibria, including phase fractions and compositions, to reliably account for phase transformations. All the stable solution phases and intermetallic compounds that exist in the assessed and their extrapolated systems are included in the current database. TCUHTM1 is able to predict the stable phases for a given composition and condition within the recommended composition range of the database.

The table shows the calculated phases compared with experimental determined ones. TCS Ultra-high Temperature Materials Database (TCUHTM) is able to predict the phase types at each given composition correctly.

Reference	Composition	Temperature	Measured Phases	Calculated Phases
[2014Bai]	HfB2-ZrN	1600 °C	(Zr, Hf)N (Zr,Hf)B2	FCC_B1 which is (Zr,Hf)N MB2_C32, which is (Zr, Hf)B2 And trace of BN
[2015Bas]	2ZrSi2-B4C-3C	1600 °C	ZrB2 SiC	MB2_C32, which is ZrB2 SiC
[2021Dod]	ZrB2/30SiC+8HfB2	1725 °C	(Zr,Hf)B2 SiC	MB2_C32, which is (Zr,Hf)B2 SiC

References

[2014Bai] M. C. Baier, M. A. Zuideveld, S. Mecking, Post-Metallocenes in the Industrial Production of Polyolefins. Angew. Chemie Int. Ed. 53, 9722–9744 (2014).

[2015Bas] B. Basu, V. Parameswaran, H. Wang, S.-H. Lee, Dynamic compression behavior of reactive spark plasma sintered ultrafine grained (Hf, Zr)B2–SiC composites. Ceram. Int. 41, 8468–8474 (2015).

[2021Dod] E. Dodi, Z. Balak, H. Kafashan, HfB 2 -doped ZrB2-30 vol.% SiC composites: oxidation resistance behavior. Mater. Res. Express. 8, 045605 (2021).